smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(NC(=O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)n2)cc1 ZINC000028856101 525787227 /nfs/dbraw/zinc/78/72/27/525787227.db2.gz XGFTXBHYVYLKBI-UHFFFAOYSA-N 0 2 405.487 4.298 50 30 HIEALN O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000008767396 557806357 /nfs/dbraw/zinc/80/63/57/557806357.db2.gz KACSQPKPAOKDBT-OMCISZLKSA-N 0 2 416.025 4.282 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000009318966 557836421 /nfs/dbraw/zinc/83/64/21/557836421.db2.gz XDKXBRORFJOYCM-HNNXBMFYSA-N 0 2 418.316 4.005 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)S2)cc1 ZINC000009318966 557836422 /nfs/dbraw/zinc/83/64/22/557836422.db2.gz XDKXBRORFJOYCM-HNNXBMFYSA-N 0 2 418.316 4.005 50 30 HIEALN O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(O)c1 ZINC000100456094 559135481 /nfs/dbraw/zinc/13/54/81/559135481.db2.gz PQHBFVWYNOFVGP-OMCISZLKSA-N 0 2 416.025 4.282 50 30 HIEALN CCOC(=O)c1cccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)c1 ZINC000005238270 560548649 /nfs/dbraw/zinc/54/86/49/560548649.db2.gz MPBOXDWGHYBOFO-UHFFFAOYSA-N 0 2 405.479 4.086 50 30 HIEALN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)[nH]c(=O)c2C#N)cc1 ZINC000005238321 560548822 /nfs/dbraw/zinc/54/88/22/560548822.db2.gz DZCNYOAPXZNYJN-INIZCTEOSA-N 0 2 418.522 4.353 50 30 HIEALN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3C)[nH]c(=O)c2C#N)cc1 ZINC000005238316 560548886 /nfs/dbraw/zinc/54/88/86/560548886.db2.gz QTEQYNWTMRFJIP-OAHLLOKOSA-N 0 2 404.495 4.045 50 30 HIEALN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CCCCC1 ZINC000005533967 560606140 /nfs/dbraw/zinc/60/61/40/560606140.db2.gz LTWCNFNFBVZTEM-UHFFFAOYSA-N 0 2 418.475 4.136 50 30 HIEALN COc1ccc(-c2cnc(N3N=C(C)C(=NNc4ccc(C)cc4)C3=O)s2)cc1 ZINC000006501834 569061620 /nfs/dbraw/zinc/06/16/20/569061620.db2.gz SMLVXNAAPBBZJW-CLCOLTQESA-N 0 2 405.483 4.318 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n1 ZINC000007830477 569313527 /nfs/dbraw/zinc/31/35/27/569313527.db2.gz NNEAJEHSCANEMB-CQSZACIVSA-N 0 2 413.503 4.153 50 30 HIEALN Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)n1 ZINC000007830477 569313529 /nfs/dbraw/zinc/31/35/29/569313529.db2.gz NNEAJEHSCANEMB-CQSZACIVSA-N 0 2 413.503 4.153 50 30 HIEALN C=CCN1c2ccc(NS(=O)(=O)c3ccc(CC)s3)cc2OCC(C)(C)C1=O ZINC000009167002 571232983 /nfs/dbraw/zinc/23/29/83/571232983.db2.gz ZOAJHXUQLPEKIY-UHFFFAOYSA-N 0 2 420.556 4.049 50 30 HIEALN C=CCN1c2cc(NS(=O)(=O)c3ccc(CC)s3)ccc2OCC(C)(C)C1=O ZINC000009171268 571233868 /nfs/dbraw/zinc/23/38/68/571233868.db2.gz MTGGYFQMRLFISF-UHFFFAOYSA-N 0 2 420.556 4.049 50 30 HIEALN COc1cc(C=Cc2n[nH]c(=O)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000007123666 845258933 /nfs/dbraw/zinc/25/89/33/845258933.db2.gz VKXPRPCECQXAAB-WEVVVXLNSA-N 0 2 407.857 4.361 50 30 HIEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000001155464 557213728 /nfs/dbraw/zinc/21/37/28/557213728.db2.gz NKGGHGSTFRZLCN-HNNXBMFYSA-N 0 2 416.220 4.159 50 30 HIEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C(C)c3ccccc3)NC2=O)c1 ZINC000005101670 557635758 /nfs/dbraw/zinc/63/57/58/557635758.db2.gz AKGACVWSPWNODB-QJTDOHDFSA-N 0 2 408.483 4.070 50 30 HIEALN CC(=O)c1cccc(NC(=O)C[C@H]2SC(=NN=C(C)c3ccccc3)NC2=O)c1 ZINC000005101670 557635760 /nfs/dbraw/zinc/63/57/60/557635760.db2.gz AKGACVWSPWNODB-QJTDOHDFSA-N 0 2 408.483 4.070 50 30 HIEALN CCOc1ccc(NC(=O)CC2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 ZINC000005408556 557651717 /nfs/dbraw/zinc/65/17/17/557651717.db2.gz FLKDWKARQVUUIS-GOSISDBHSA-N 0 2 416.547 4.102 50 30 HIEALN CCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 ZINC000005408556 557651720 /nfs/dbraw/zinc/65/17/20/557651720.db2.gz FLKDWKARQVUUIS-GOSISDBHSA-N 0 2 416.547 4.102 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000008385059 557785089 /nfs/dbraw/zinc/78/50/89/557785089.db2.gz FCQYTTVNKBZVPE-QVOODPNWSA-N 0 2 424.404 4.479 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000008385059 557785092 /nfs/dbraw/zinc/78/50/92/557785092.db2.gz FCQYTTVNKBZVPE-QVOODPNWSA-N 0 2 424.404 4.479 50 30 HIEALN O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000008899633 557813459 /nfs/dbraw/zinc/81/34/59/557813459.db2.gz CAMYRXMRKQMFAE-OAHLLOKOSA-N 0 2 415.833 4.114 50 30 HIEALN O=C(c1cccs1)C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1 ZINC000009244100 557832329 /nfs/dbraw/zinc/83/23/29/557832329.db2.gz MDZBVUODBPQUFT-ZDUSSCGKSA-N 0 2 403.872 4.036 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S1 ZINC000018077947 558830673 /nfs/dbraw/zinc/83/06/73/558830673.db2.gz SKOFQWFKQSXWIX-HKXVIOCSSA-N 0 2 415.346 4.332 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 ZINC000018077947 558830677 /nfs/dbraw/zinc/83/06/77/558830677.db2.gz SKOFQWFKQSXWIX-HKXVIOCSSA-N 0 2 415.346 4.332 50 30 HIEALN CCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000004682473 558894546 /nfs/dbraw/zinc/89/45/46/558894546.db2.gz SPCXOIYFLUBDAL-YQMDHOPXSA-N 0 2 415.946 4.040 50 30 HIEALN CCNC(=O)CC1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000004682473 558894547 /nfs/dbraw/zinc/89/45/47/558894547.db2.gz SPCXOIYFLUBDAL-YQMDHOPXSA-N 0 2 415.946 4.040 50 30 HIEALN COc1ccc(NC(=O)CC2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000103834804 559157158 /nfs/dbraw/zinc/15/71/58/559157158.db2.gz HZIPTYPBZWWTOD-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000103834804 559157160 /nfs/dbraw/zinc/15/71/60/559157160.db2.gz HZIPTYPBZWWTOD-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 ZINC000102711889 560822902 /nfs/dbraw/zinc/82/29/02/560822902.db2.gz QVHJJJYLZBMAEF-HOGKFDNTSA-N 0 2 423.509 4.098 50 30 HIEALN CN(C(=O)C(F)(F)F)c1ccccc1C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000003192115 568860757 /nfs/dbraw/zinc/86/07/57/568860757.db2.gz XWTLDYJOXOKVAQ-GFCCVEGCSA-N 0 2 403.385 4.311 50 30 HIEALN CN(C(=O)C(F)(F)F)c1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000003192115 568860758 /nfs/dbraw/zinc/86/07/58/568860758.db2.gz XWTLDYJOXOKVAQ-GFCCVEGCSA-N 0 2 403.385 4.311 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 ZINC000008160897 568979171 /nfs/dbraw/zinc/97/91/71/568979171.db2.gz UAOMDLDQXBHHGV-INIZCTEOSA-N 0 2 408.552 4.485 50 30 HIEALN Cc1csc([C@@H](C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 ZINC000008160897 568979172 /nfs/dbraw/zinc/97/91/72/568979172.db2.gz UAOMDLDQXBHHGV-INIZCTEOSA-N 0 2 408.552 4.485 50 30 HIEALN CN(C)c1ccc(-c2nc3ccccn3c2N=Cc2cccc([N+](=O)[O-])c2O)cc1 ZINC000252611785 569300415 /nfs/dbraw/zinc/30/04/15/569300415.db2.gz INTPDHWXOMFHRY-UHFFFAOYSA-N 0 2 401.426 4.432 50 30 HIEALN O=C(CC1S/C(=N\C2CCCC2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008518190 845532052 /nfs/dbraw/zinc/53/20/52/845532052.db2.gz SGASSKBYUDJMCD-IBGZPJMESA-N 0 2 409.511 4.338 50 30 HIEALN O=C(CC1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009318356 845566238 /nfs/dbraw/zinc/56/62/38/845566238.db2.gz KRICZPPOQIUNDJ-LJQANCHMSA-N 0 2 421.478 4.188 50 30 HIEALN C/N=C1/SC(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C ZINC000105789712 518570525 /nfs/dbraw/zinc/57/05/25/518570525.db2.gz BNALVGMWEZEOLQ-SIUCFOQUSA-N 0 2 424.551 4.160 50 30 HIEALN C/N=C1/S[C@@H](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C ZINC000105789712 518570542 /nfs/dbraw/zinc/57/05/42/518570542.db2.gz BNALVGMWEZEOLQ-SIUCFOQUSA-N 0 2 424.551 4.160 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S1 ZINC000018077944 558830687 /nfs/dbraw/zinc/83/06/87/558830687.db2.gz SKOFQWFKQSXWIX-LKYUAURQSA-N 0 2 415.346 4.332 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 ZINC000018077944 558830688 /nfs/dbraw/zinc/83/06/88/558830688.db2.gz SKOFQWFKQSXWIX-LKYUAURQSA-N 0 2 415.346 4.332 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004679196 558890194 /nfs/dbraw/zinc/89/01/94/558890194.db2.gz DELPAEGPHPTYTD-YYDJUVGSSA-N 0 2 413.437 4.431 50 30 HIEALN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000004682467 558894494 /nfs/dbraw/zinc/89/44/94/558894494.db2.gz ZKMVLBIDIJIPKC-YQMDHOPXSA-N 0 2 415.490 4.205 50 30 HIEALN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000004682467 558894495 /nfs/dbraw/zinc/89/44/95/558894495.db2.gz ZKMVLBIDIJIPKC-YQMDHOPXSA-N 0 2 415.490 4.205 50 30 HIEALN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000046668054 560772074 /nfs/dbraw/zinc/77/20/74/560772074.db2.gz CXHBUPFGBAXNEE-VFNWGFHPSA-N 0 2 401.422 4.221 50 30 HIEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000102802992 560826475 /nfs/dbraw/zinc/82/64/75/560826475.db2.gz MQQDJCAHHZTWOH-HOGKFDNTSA-N 0 2 423.509 4.098 50 30 HIEALN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCc1cccc(C(F)(F)F)c1 ZINC000003833270 568868763 /nfs/dbraw/zinc/86/87/63/568868763.db2.gz GBVUHUFJZWEFST-FOKLQQMPSA-N 0 2 404.348 4.020 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2[nH]c1=S ZINC000012607244 568871348 /nfs/dbraw/zinc/87/13/48/568871348.db2.gz OWIPGXLSRHKCAQ-UHFFFAOYSA-N 0 2 403.410 4.099 50 30 HIEALN COc1ccc(NC(=O)CC2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1 ZINC000252614727 569301304 /nfs/dbraw/zinc/30/13/04/569301304.db2.gz JMNZZYQXYMDCHP-LJQANCHMSA-N 0 2 422.510 4.192 50 30 HIEALN COc1ccc(NC(=O)C[C@H]2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1 ZINC000252614727 569301306 /nfs/dbraw/zinc/30/13/06/569301306.db2.gz JMNZZYQXYMDCHP-LJQANCHMSA-N 0 2 422.510 4.192 50 30 HIEALN Cc1csc([C@@H](C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 ZINC000012877804 569404418 /nfs/dbraw/zinc/40/44/18/569404418.db2.gz FNGLTDPEZSMDCD-LBPRGKRZSA-N 0 2 404.567 4.397 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 ZINC000012877804 569404415 /nfs/dbraw/zinc/40/44/15/569404415.db2.gz FNGLTDPEZSMDCD-LBPRGKRZSA-N 0 2 404.567 4.397 50 30 HIEALN C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O ZINC000009440195 571259018 /nfs/dbraw/zinc/25/90/18/571259018.db2.gz QZOHBUVSKNETHK-ZDUSSCGKSA-N 0 2 423.266 4.028 50 30 HIEALN C/N=C1\SC(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C ZINC000009126505 845561112 /nfs/dbraw/zinc/56/11/12/845561112.db2.gz BNALVGMWEZEOLQ-NFFVOIMASA-N 0 2 424.551 4.160 50 30 HIEALN C=CCc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000038160129 519126942 /nfs/dbraw/zinc/12/69/42/519126942.db2.gz NBDOVDDOBRILLE-SXGWCWSVSA-N 0 2 412.829 4.289 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 ZINC000004603938 557571565 /nfs/dbraw/zinc/57/15/65/557571565.db2.gz LTXPGCSTSMOQFU-LVWGJNHUSA-N 0 2 413.437 4.431 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 ZINC000004699910 557583409 /nfs/dbraw/zinc/58/34/09/557583409.db2.gz MLSQYJGRYJIWJR-GOTYSUTNSA-N 0 2 415.490 4.205 50 30 HIEALN CCOc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 ZINC000004699910 557583411 /nfs/dbraw/zinc/58/34/11/557583411.db2.gz MLSQYJGRYJIWJR-GOTYSUTNSA-N 0 2 415.490 4.205 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 ZINC000004699908 557583455 /nfs/dbraw/zinc/58/34/55/557583455.db2.gz MLSQYJGRYJIWJR-YQMDHOPXSA-N 0 2 415.490 4.205 50 30 HIEALN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(F)cc3)N(CC)C2=O)c1 ZINC000004699908 557583458 /nfs/dbraw/zinc/58/34/58/557583458.db2.gz MLSQYJGRYJIWJR-YQMDHOPXSA-N 0 2 415.490 4.205 50 30 HIEALN O=C(c1cccs1)C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccc(Cl)cc1 ZINC000009244101 557832402 /nfs/dbraw/zinc/83/24/02/557832402.db2.gz MDZBVUODBPQUFT-CYBMUJFWSA-N 0 2 403.872 4.036 50 30 HIEALN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000020176589 558343855 /nfs/dbraw/zinc/34/38/55/558343855.db2.gz HNZWASQPDMZDIC-DVCONVQISA-N 0 2 417.918 4.329 50 30 HIEALN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000020176589 558343857 /nfs/dbraw/zinc/34/38/57/558343857.db2.gz HNZWASQPDMZDIC-DVCONVQISA-N 0 2 417.918 4.329 50 30 HIEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1)C1CCCCC1 ZINC000012378786 558392823 /nfs/dbraw/zinc/39/28/23/558392823.db2.gz HVINIJGMBDVVFH-PDYUXYPTSA-N 0 2 406.939 4.212 50 30 HIEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1)C1CCCCC1 ZINC000012378786 558392827 /nfs/dbraw/zinc/39/28/27/558392827.db2.gz HVINIJGMBDVVFH-PDYUXYPTSA-N 0 2 406.939 4.212 50 30 HIEALN CCCCOc1ccc(S(=O)(=O)N=C(O)NCc2ccc(OCCC)cc2)cc1 ZINC000004587286 558785311 /nfs/dbraw/zinc/78/53/11/558785311.db2.gz OVSKWLGCGUYUDZ-UHFFFAOYSA-N 0 2 420.531 4.047 50 30 HIEALN CCOC(=O)c1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)sc2c1CCCC2 ZINC000004807568 559068408 /nfs/dbraw/zinc/06/84/08/559068408.db2.gz QSCYFLHXSRLBNC-KEBDBYFISA-N 0 2 404.444 4.177 50 30 HIEALN CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc(O)cc1 ZINC000100559693 559136487 /nfs/dbraw/zinc/13/64/87/559136487.db2.gz UTHLDCICZMTIBC-HAVVHWLPSA-N 0 2 411.874 4.360 50 30 HIEALN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000046668051 560772077 /nfs/dbraw/zinc/77/20/77/560772077.db2.gz CXHBUPFGBAXNEE-YCRPNKLZSA-N 0 2 401.422 4.221 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 ZINC000018154258 560780160 /nfs/dbraw/zinc/78/01/60/560780160.db2.gz DCHNOVSKIOGLNB-DAFNUICNSA-N 0 2 401.495 4.353 50 30 HIEALN N#C[C@@H](C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334966 568882528 /nfs/dbraw/zinc/88/25/28/568882528.db2.gz ZXOWUNFZWAYKRA-ZDUSSCGKSA-N 0 2 401.241 4.016 50 30 HIEALN N#CC(C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334966 568882531 /nfs/dbraw/zinc/88/25/31/568882531.db2.gz ZXOWUNFZWAYKRA-ZDUSSCGKSA-N 0 2 401.241 4.016 50 30 HIEALN COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000004171295 568921504 /nfs/dbraw/zinc/92/15/04/568921504.db2.gz VDMDBLGRFQCHFD-GOSISDBHSA-N 0 2 416.271 4.255 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000252600227 569296624 /nfs/dbraw/zinc/29/66/24/569296624.db2.gz DPCFCFGXKXNPBQ-MRXNPFEDSA-N 0 2 402.426 4.146 50 30 HIEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000252600227 569296626 /nfs/dbraw/zinc/29/66/26/569296626.db2.gz DPCFCFGXKXNPBQ-MRXNPFEDSA-N 0 2 402.426 4.146 50 30 HIEALN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000254734376 854213494 /nfs/dbraw/zinc/21/34/94/854213494.db2.gz DKGFPDDGLQNENJ-FQEVSTJZSA-N 0 2 411.571 4.486 50 30 HIEALN Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000254734376 854213502 /nfs/dbraw/zinc/21/35/02/854213502.db2.gz DKGFPDDGLQNENJ-FQEVSTJZSA-N 0 2 411.571 4.486 50 30 HIEALN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)cc3C)C(=O)N2C)cc1 ZINC000059254540 520858167 /nfs/dbraw/zinc/85/81/67/520858167.db2.gz YHMOLTKWBLQTLT-VCGVYRDQSA-N 0 2 411.527 4.292 50 30 HIEALN N#CC(C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 ZINC000026019315 526505147 /nfs/dbraw/zinc/50/51/47/526505147.db2.gz JEGORGHZRPKVBB-CYBMUJFWSA-N 0 2 408.464 4.422 50 30 HIEALN N#C[C@H](C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 ZINC000026019315 526505151 /nfs/dbraw/zinc/50/51/51/526505151.db2.gz JEGORGHZRPKVBB-CYBMUJFWSA-N 0 2 408.464 4.422 50 30 HIEALN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000103167374 527103048 /nfs/dbraw/zinc/10/30/48/527103048.db2.gz AYXHHTXSFZZGFF-ZJUUUORDSA-N 0 2 422.247 4.120 50 30 HIEALN COc1ccc(-c2csc(N3N=C(C)C(=NNc4ccccc4C)C3=O)n2)cc1 ZINC000004322230 557540904 /nfs/dbraw/zinc/54/09/04/557540904.db2.gz MJOADSUOSVMQMK-CLCOLTQESA-N 0 2 405.483 4.318 50 30 HIEALN CSc1cccc(/N=C2\NC(=O)C(CC(=O)Nc3cccc(SC)c3)S2)c1 ZINC000004709207 557585489 /nfs/dbraw/zinc/58/54/89/557585489.db2.gz RFXXSXADWKIHOS-INIZCTEOSA-N 0 2 417.581 4.378 50 30 HIEALN CSc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3cccc(SC)c3)S2)c1 ZINC000004709207 557585492 /nfs/dbraw/zinc/58/54/92/557585492.db2.gz RFXXSXADWKIHOS-INIZCTEOSA-N 0 2 417.581 4.378 50 30 HIEALN CC(=O)c1cccc(NC(=O)CC2SC(=NN=C(C)c3ccccc3)NC2=O)c1 ZINC000005101666 557635774 /nfs/dbraw/zinc/63/57/74/557635774.db2.gz AKGACVWSPWNODB-VQXFCIMOSA-N 0 2 408.483 4.070 50 30 HIEALN CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=NN=C(C)c3ccccc3)NC2=O)c1 ZINC000005101666 557635777 /nfs/dbraw/zinc/63/57/77/557635777.db2.gz AKGACVWSPWNODB-VQXFCIMOSA-N 0 2 408.483 4.070 50 30 HIEALN CC/N=C1\SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1CC ZINC000012636074 558442797 /nfs/dbraw/zinc/44/27/97/558442797.db2.gz QVNZXWJKDRXYLL-OBZJLHOISA-N 0 2 407.845 4.027 50 30 HIEALN CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1CC ZINC000012636074 558442798 /nfs/dbraw/zinc/44/27/98/558442798.db2.gz QVNZXWJKDRXYLL-OBZJLHOISA-N 0 2 407.845 4.027 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000100512648 559136135 /nfs/dbraw/zinc/13/61/35/559136135.db2.gz DELPAEGPHPTYTD-LVWGJNHUSA-N 0 2 413.437 4.431 50 30 HIEALN CCCC/N=C1\SC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CCCC ZINC000102406438 559150123 /nfs/dbraw/zinc/15/01/23/559150123.db2.gz GYDQKXUJCVXJRS-UGNPLGLKSA-N 0 2 405.564 4.314 50 30 HIEALN CCCC/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CCCC ZINC000102406438 559150125 /nfs/dbraw/zinc/15/01/25/559150125.db2.gz GYDQKXUJCVXJRS-UGNPLGLKSA-N 0 2 405.564 4.314 50 30 HIEALN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cc(C)ccc3C)[nH]c(=O)c2C#N)cc1 ZINC000005238326 560548780 /nfs/dbraw/zinc/54/87/80/560548780.db2.gz GIZQQLYKEVERBU-MRXNPFEDSA-N 0 2 418.522 4.353 50 30 HIEALN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 ZINC000252598923 569296653 /nfs/dbraw/zinc/29/66/53/569296653.db2.gz DEQFTGSYVZJIMB-IBGZPJMESA-N 0 2 409.511 4.096 50 30 HIEALN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 ZINC000252598923 569296655 /nfs/dbraw/zinc/29/66/55/569296655.db2.gz DEQFTGSYVZJIMB-IBGZPJMESA-N 0 2 409.511 4.096 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 ZINC000012877813 569404489 /nfs/dbraw/zinc/40/44/89/569404489.db2.gz FNGLTDPEZSMDCD-GFCCVEGCSA-N 0 2 404.567 4.397 50 30 HIEALN Cc1csc([C@H](C#N)C(=O)CSc2nn(-c3ccccc3)c(=S)s2)n1 ZINC000012877813 569404491 /nfs/dbraw/zinc/40/44/91/569404491.db2.gz FNGLTDPEZSMDCD-GFCCVEGCSA-N 0 2 404.567 4.397 50 30 HIEALN C/N=C1\SC(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C(=O)N1C ZINC000009126504 845561311 /nfs/dbraw/zinc/56/13/11/845561311.db2.gz BNALVGMWEZEOLQ-KTVWJZFRSA-N 0 2 424.551 4.160 50 30 HIEALN O=C(CC1S/C(=N/Cc2ccc(F)cc2)NC1=O)Nc1ccc2ccccc2c1 ZINC000012995521 845902752 /nfs/dbraw/zinc/90/27/52/845902752.db2.gz WBBMFLWBLGFYKA-IBGZPJMESA-N 0 2 407.470 4.095 50 30 HIEALN C=CCCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[nH]2)cc1 ZINC000034764213 518711454 /nfs/dbraw/zinc/71/14/54/518711454.db2.gz PGVUQYFIKOTRKF-KRWDZBQOSA-N 0 2 418.497 4.009 50 30 HIEALN O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O ZINC000002062633 557304620 /nfs/dbraw/zinc/30/46/20/557304620.db2.gz ZZLAGWORHMFDPQ-KOEQRZSOSA-N 0 2 417.465 4.478 50 30 HIEALN COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000004682465 558894498 /nfs/dbraw/zinc/89/44/98/558894498.db2.gz ZETTYGUKPUEPPM-DVCONVQISA-N 0 2 417.918 4.247 50 30 HIEALN COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000004682465 558894499 /nfs/dbraw/zinc/89/44/99/558894499.db2.gz ZETTYGUKPUEPPM-DVCONVQISA-N 0 2 417.918 4.247 50 30 HIEALN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 ZINC000059254522 558932938 /nfs/dbraw/zinc/93/29/38/558932938.db2.gz NYWFBWWPIBNWTC-LRWZUSMTSA-N 0 2 417.918 4.329 50 30 HIEALN COc1ccc(NN=C2C(=O)N(c3ccc(C)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000018193935 560782242 /nfs/dbraw/zinc/78/22/42/560782242.db2.gz PZVXIXCLPCAJMR-WNAAXNPUSA-N 0 2 414.465 4.231 50 30 HIEALN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 ZINC000003370948 568857628 /nfs/dbraw/zinc/85/76/28/568857628.db2.gz HOWWKPJJVJIFPB-UHFFFAOYSA-N 0 2 408.045 4.380 50 30 HIEALN N#Cc1cccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000065009808 569153428 /nfs/dbraw/zinc/15/34/28/569153428.db2.gz OULGSLGGCGHTPK-UHFFFAOYSA-N 0 2 400.485 4.128 50 30 HIEALN COc1ccc(NC(=O)CC2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1 ZINC000252614725 569301260 /nfs/dbraw/zinc/30/12/60/569301260.db2.gz JMNZZYQXYMDCHP-IBGZPJMESA-N 0 2 422.510 4.192 50 30 HIEALN COc1ccc(NC(=O)C[C@@H]2SC(=NN=C3CCCc4ccccc43)NC2=O)cc1 ZINC000252614725 569301262 /nfs/dbraw/zinc/30/12/62/569301262.db2.gz JMNZZYQXYMDCHP-IBGZPJMESA-N 0 2 422.510 4.192 50 30 HIEALN C=CCn1cc(-c2ccccc2)nc1NS(=O)(=O)c1cccc(Br)c1 ZINC000016711752 571304429 /nfs/dbraw/zinc/30/44/29/571304429.db2.gz OCGYQLNXUVYRFP-UHFFFAOYSA-N 0 2 418.316 4.299 50 30 HIEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 ZINC000000724266 557072132 /nfs/dbraw/zinc/07/21/32/557072132.db2.gz ZRXLLAYHXHUGLW-WORIPGKHSA-N 0 2 400.548 4.176 50 30 HIEALN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 ZINC000000724266 557072136 /nfs/dbraw/zinc/07/21/36/557072136.db2.gz ZRXLLAYHXHUGLW-WORIPGKHSA-N 0 2 400.548 4.176 50 30 HIEALN CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001219739 557248235 /nfs/dbraw/zinc/24/82/35/557248235.db2.gz ILOJOZRNGPJRRN-MRXNPFEDSA-N 0 2 406.316 4.103 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000005461192 557655081 /nfs/dbraw/zinc/65/50/81/557655081.db2.gz RNQGULCZIHCLMY-GGPGUOJZSA-N 0 2 415.346 4.332 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000005461192 557655083 /nfs/dbraw/zinc/65/50/83/557655083.db2.gz RNQGULCZIHCLMY-GGPGUOJZSA-N 0 2 415.346 4.332 50 30 HIEALN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(C)cc3)c2c1 ZINC000008023529 557770279 /nfs/dbraw/zinc/77/02/79/557770279.db2.gz BRCNMBXUAAHUJH-JOCHJYFZSA-N 0 2 404.466 4.012 50 30 HIEALN CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccco2)s1 ZINC000013692226 558855972 /nfs/dbraw/zinc/85/59/72/558855972.db2.gz WRTQIDNBTWSNDQ-CYBMUJFWSA-N 0 2 401.469 4.099 50 30 HIEALN COc1cccc(/N=C2\SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000004682464 558894475 /nfs/dbraw/zinc/89/44/75/558894475.db2.gz ZETTYGUKPUEPPM-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000004682464 558894480 /nfs/dbraw/zinc/89/44/80/558894480.db2.gz ZETTYGUKPUEPPM-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238251 560548635 /nfs/dbraw/zinc/54/86/35/560548635.db2.gz HGYLHPJDYGXVGS-HNNXBMFYSA-N 0 2 418.522 4.299 50 30 HIEALN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c(=O)c2C#N)cc1 ZINC000005238308 560548766 /nfs/dbraw/zinc/54/87/66/560548766.db2.gz RTSYYNOLUJNDCN-UHFFFAOYSA-N 0 2 418.522 4.471 50 30 HIEALN CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(Br)c2)[C@H]1c1cccc(F)c1 ZINC000000973926 568759305 /nfs/dbraw/zinc/75/93/05/568759305.db2.gz XVVHGBGDDFHTDB-KRWDZBQOSA-N 0 2 404.235 4.386 50 30 HIEALN CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(Br)c2)[C@@H]1c1cccc(F)c1 ZINC000000973927 568759358 /nfs/dbraw/zinc/75/93/58/568759358.db2.gz XVVHGBGDDFHTDB-QGZVFWFLSA-N 0 2 404.235 4.386 50 30 HIEALN CC/N=C1/SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000230213069 568855091 /nfs/dbraw/zinc/85/50/91/568855091.db2.gz PMUQPHYPVHAKGK-LZICOFPGSA-N 0 2 424.364 4.040 50 30 HIEALN CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000230213069 568855095 /nfs/dbraw/zinc/85/50/95/568855095.db2.gz PMUQPHYPVHAKGK-LZICOFPGSA-N 0 2 424.364 4.040 50 30 HIEALN CN(C(=O)C(F)(F)F)c1ccccc1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000003192116 568860773 /nfs/dbraw/zinc/86/07/73/568860773.db2.gz XWTLDYJOXOKVAQ-LBPRGKRZSA-N 0 2 403.385 4.311 50 30 HIEALN CN(C(=O)C(F)(F)F)c1ccccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000003192116 568860775 /nfs/dbraw/zinc/86/07/75/568860775.db2.gz XWTLDYJOXOKVAQ-LBPRGKRZSA-N 0 2 403.385 4.311 50 30 HIEALN Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(SC(F)F)cc3)c2)c1 ZINC000003344457 568884357 /nfs/dbraw/zinc/88/43/57/568884357.db2.gz GHVHWGZMZNNYCX-UHFFFAOYSA-N 0 2 412.417 4.269 50 30 HIEALN COc1ccc(NC(=O)CC2SC(=Nc3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000252610216 569298163 /nfs/dbraw/zinc/29/81/63/569298163.db2.gz HZIPTYPBZWWTOD-KRWDZBQOSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@@H]2SC(=Nc3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000252610216 569298165 /nfs/dbraw/zinc/29/81/65/569298165.db2.gz HZIPTYPBZWWTOD-KRWDZBQOSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(C(C)=NN=C2NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000252642729 569318802 /nfs/dbraw/zinc/31/88/02/569318802.db2.gz ZOZGXVQQGHDIRX-SFHVURJKSA-N 0 2 410.499 4.184 50 30 HIEALN COc1ccc(C(C)=NN=C2NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000252642729 569318803 /nfs/dbraw/zinc/31/88/03/569318803.db2.gz ZOZGXVQQGHDIRX-SFHVURJKSA-N 0 2 410.499 4.184 50 30 HIEALN C[C@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O ZINC000009440198 571258959 /nfs/dbraw/zinc/25/89/59/571258959.db2.gz QZOHBUVSKNETHK-CYBMUJFWSA-N 0 2 423.266 4.028 50 30 HIEALN CSc1cccc(/N=C2\NC(=O)C(CC(=O)Nc3cccc(SC)c3)S2)c1 ZINC000004709204 557585516 /nfs/dbraw/zinc/58/55/16/557585516.db2.gz RFXXSXADWKIHOS-MRXNPFEDSA-N 0 2 417.581 4.378 50 30 HIEALN CSc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3cccc(SC)c3)S2)c1 ZINC000004709204 557585518 /nfs/dbraw/zinc/58/55/18/557585518.db2.gz RFXXSXADWKIHOS-MRXNPFEDSA-N 0 2 417.581 4.378 50 30 HIEALN CCC(CC)=N/N=C1\NC(=O)C(CC(=O)Nc2cc(Cl)ccc2Cl)S1 ZINC000005408257 557651636 /nfs/dbraw/zinc/65/16/36/557651636.db2.gz BTYYYLDIYUJWFO-CYBMUJFWSA-N 0 2 401.319 4.086 50 30 HIEALN CCC(CC)=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 ZINC000005408257 557651641 /nfs/dbraw/zinc/65/16/41/557651641.db2.gz BTYYYLDIYUJWFO-CYBMUJFWSA-N 0 2 401.319 4.086 50 30 HIEALN CCCOC(=O)c1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238202 560548643 /nfs/dbraw/zinc/54/86/43/560548643.db2.gz IEHWBWREHAFJQI-UHFFFAOYSA-N 0 2 405.479 4.168 50 30 HIEALN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 ZINC000013042437 560791639 /nfs/dbraw/zinc/79/16/39/560791639.db2.gz OBNMNHYVCZFOEN-HNNXBMFYSA-N 0 2 407.417 4.262 50 30 HIEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 ZINC000013042437 560791642 /nfs/dbraw/zinc/79/16/42/560791642.db2.gz OBNMNHYVCZFOEN-HNNXBMFYSA-N 0 2 407.417 4.262 50 30 HIEALN COc1ccccc1N=C1SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000252610039 569298224 /nfs/dbraw/zinc/29/82/24/569298224.db2.gz HYGQMCZVYNMPKE-LJQANCHMSA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000252610039 569298225 /nfs/dbraw/zinc/29/82/25/569298225.db2.gz HYGQMCZVYNMPKE-LJQANCHMSA-N 0 2 411.527 4.409 50 30 HIEALN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nc(=O)c2sccc2[nH]1 ZINC000013112670 569409298 /nfs/dbraw/zinc/40/92/98/569409298.db2.gz IKGHFMFYESGXTA-UHFFFAOYSA-N 0 2 419.487 4.364 50 30 HIEALN COc1ccc(/N=C2\SC(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)cc1 ZINC000055520516 523468583 /nfs/dbraw/zinc/46/85/83/523468583.db2.gz AKUJKCGQDDKMQZ-COPMAWBXSA-N 0 2 411.527 4.409 50 30 HIEALN CC(C)/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C(C)C ZINC000001001548 557139835 /nfs/dbraw/zinc/13/98/35/557139835.db2.gz RHNQCGOVRCCMEW-UXPDKRSESA-N 0 2 402.347 4.439 50 30 HIEALN CC(C)/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1C(C)C ZINC000001001548 557139837 /nfs/dbraw/zinc/13/98/37/557139837.db2.gz RHNQCGOVRCCMEW-UXPDKRSESA-N 0 2 402.347 4.439 50 30 HIEALN CCOc1ccc(NC(=O)CC2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 ZINC000005408558 557651762 /nfs/dbraw/zinc/65/17/62/557651762.db2.gz FLKDWKARQVUUIS-SFHVURJKSA-N 0 2 416.547 4.102 50 30 HIEALN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)cc1 ZINC000005408558 557651764 /nfs/dbraw/zinc/65/17/64/557651764.db2.gz FLKDWKARQVUUIS-SFHVURJKSA-N 0 2 416.547 4.102 50 30 HIEALN Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH+]c[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008715657 557801339 /nfs/dbraw/zinc/80/13/39/557801339.db2.gz MXMYZLUFUVDVGX-HXUWFJFHSA-N 0 2 421.884 4.193 50 30 HIEALN Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH]c[nH+]3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008715657 557801343 /nfs/dbraw/zinc/80/13/43/557801343.db2.gz MXMYZLUFUVDVGX-HXUWFJFHSA-N 0 2 421.884 4.193 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000018205470 558833372 /nfs/dbraw/zinc/83/33/72/558833372.db2.gz FBXRUPQWWWDDEE-VXHUXDJESA-N 0 2 414.453 4.044 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000018205470 558833374 /nfs/dbraw/zinc/83/33/74/558833374.db2.gz FBXRUPQWWWDDEE-VXHUXDJESA-N 0 2 414.453 4.044 50 30 HIEALN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 ZINC000004680852 558894248 /nfs/dbraw/zinc/89/42/48/558894248.db2.gz NYWFBWWPIBNWTC-HLGQQVFSSA-N 0 2 417.918 4.329 50 30 HIEALN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000004699835 558907649 /nfs/dbraw/zinc/90/76/49/558907649.db2.gz SVBPDZHBSAHCQX-JJXNMMKVSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000004699835 558907650 /nfs/dbraw/zinc/90/76/50/558907650.db2.gz SVBPDZHBSAHCQX-JJXNMMKVSA-N 0 2 405.882 4.378 50 30 HIEALN CCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000101613779 559147501 /nfs/dbraw/zinc/14/75/01/559147501.db2.gz ZKMVLBIDIJIPKC-QAYQYMSWSA-N 0 2 415.490 4.205 50 30 HIEALN CCCOc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000101613779 559147502 /nfs/dbraw/zinc/14/75/02/559147502.db2.gz ZKMVLBIDIJIPKC-QAYQYMSWSA-N 0 2 415.490 4.205 50 30 HIEALN COc1ccc(NC(=O)CC2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000103834799 559157154 /nfs/dbraw/zinc/15/71/54/559157154.db2.gz HZIPTYPBZWWTOD-DVCONVQISA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000103834799 559157156 /nfs/dbraw/zinc/15/71/56/559157156.db2.gz HZIPTYPBZWWTOD-DVCONVQISA-N 0 2 417.918 4.247 50 30 HIEALN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(C)c3C)[nH]c(=O)c2C#N)cc1 ZINC000005238322 560548865 /nfs/dbraw/zinc/54/88/65/560548865.db2.gz DZCNYOAPXZNYJN-MRXNPFEDSA-N 0 2 418.522 4.353 50 30 HIEALN COC(=O)CC1S/C(=N/c2ccc(C)cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000101379665 560793646 /nfs/dbraw/zinc/79/36/46/560793646.db2.gz YJEGOFJIBQUYCI-XUKXGFMLSA-N 0 2 421.522 4.214 50 30 HIEALN COCCN1C(=O)C(=O)C(=C(O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000102802989 560826418 /nfs/dbraw/zinc/82/64/18/560826418.db2.gz MQQDJCAHHZTWOH-MOBKVPTQSA-N 0 2 423.509 4.098 50 30 HIEALN COC(=O)c1ccccc1N=C(C)C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000005721394 560853847 /nfs/dbraw/zinc/85/38/47/560853847.db2.gz AZEBMMZXNYMZTC-WSDLNYQXSA-N 0 2 406.467 4.423 50 30 HIEALN COC(=O)c1ccccc1N=C(C)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000005721394 560853848 /nfs/dbraw/zinc/85/38/48/560853848.db2.gz AZEBMMZXNYMZTC-WSDLNYQXSA-N 0 2 406.467 4.423 50 30 HIEALN O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000000934466 568751650 /nfs/dbraw/zinc/75/16/50/568751650.db2.gz JHLICAGJXXRYAK-OAHLLOKOSA-N 0 2 415.833 4.114 50 30 HIEALN COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000000973924 568759324 /nfs/dbraw/zinc/75/93/24/568759324.db2.gz VDMDBLGRFQCHFD-SFHVURJKSA-N 0 2 416.271 4.255 50 30 HIEALN CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1=NNc1ccc(O)cc1 ZINC000252630046 569311522 /nfs/dbraw/zinc/31/15/22/569311522.db2.gz UTHLDCICZMTIBC-UHFFFAOYSA-N 0 2 411.874 4.360 50 30 HIEALN CCOc1ccc(NN=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 ZINC000252633151 569314079 /nfs/dbraw/zinc/31/40/79/569314079.db2.gz WALDGNUIZRWTJV-UHFFFAOYSA-N 0 2 405.483 4.399 50 30 HIEALN CNC(=O)CC1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O ZINC000254348957 854210335 /nfs/dbraw/zinc/21/03/35/854210335.db2.gz HOYLSNDWBILHBI-SFHVURJKSA-N 0 2 415.946 4.225 50 30 HIEALN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O ZINC000254348957 854210340 /nfs/dbraw/zinc/21/03/40/854210340.db2.gz HOYLSNDWBILHBI-SFHVURJKSA-N 0 2 415.946 4.225 50 30 HIEALN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)C(CC(=O)c3ccc(F)cc3)S1)C2 ZINC000254559800 854212708 /nfs/dbraw/zinc/21/27/08/854212708.db2.gz IQUGJIVYYGPFAC-UYTHQXMGSA-N 0 2 401.507 4.188 50 30 HIEALN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000008023555 557770325 /nfs/dbraw/zinc/77/03/25/557770325.db2.gz BRCNMBXUAAHUJH-QFIPXVFZSA-N 0 2 404.466 4.012 50 30 HIEALN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000004699836 558907614 /nfs/dbraw/zinc/90/76/14/558907614.db2.gz SVBPDZHBSAHCQX-LTUQMTLXSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000004699836 558907617 /nfs/dbraw/zinc/90/76/17/558907617.db2.gz SVBPDZHBSAHCQX-LTUQMTLXSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 ZINC000095215281 559079427 /nfs/dbraw/zinc/07/94/27/559079427.db2.gz LTXPGCSTSMOQFU-YYDJUVGSSA-N 0 2 413.437 4.431 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 ZINC000102406756 559150258 /nfs/dbraw/zinc/15/02/58/559150258.db2.gz GGHXTWPILQNDSG-OLRQPGBRSA-N 0 2 417.918 4.329 50 30 HIEALN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 ZINC000102406756 559150259 /nfs/dbraw/zinc/15/02/59/559150259.db2.gz GGHXTWPILQNDSG-OLRQPGBRSA-N 0 2 417.918 4.329 50 30 HIEALN CC(=O)c1ccc(NC(=O)CC2SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 ZINC000252598924 569296678 /nfs/dbraw/zinc/29/66/78/569296678.db2.gz DEQFTGSYVZJIMB-LJQANCHMSA-N 0 2 409.511 4.096 50 30 HIEALN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 ZINC000252598924 569296679 /nfs/dbraw/zinc/29/66/79/569296679.db2.gz DEQFTGSYVZJIMB-LJQANCHMSA-N 0 2 409.511 4.096 50 30 HIEALN O=C(CC1S/C(=N/C2CCCCC2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000021133099 527142248 /nfs/dbraw/zinc/14/22/48/527142248.db2.gz ZEWZQQZNASHAFD-AWEZNQCLSA-N 0 2 400.331 4.242 50 30 HIEALN O=C(C[C@@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000021133099 527142250 /nfs/dbraw/zinc/14/22/50/527142250.db2.gz ZEWZQQZNASHAFD-AWEZNQCLSA-N 0 2 400.331 4.242 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000005101332 557635500 /nfs/dbraw/zinc/63/55/00/557635500.db2.gz DPCFCFGXKXNPBQ-JKHIYUEESA-N 0 2 402.426 4.146 50 30 HIEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000005101332 557635502 /nfs/dbraw/zinc/63/55/02/557635502.db2.gz DPCFCFGXKXNPBQ-JKHIYUEESA-N 0 2 402.426 4.146 50 30 HIEALN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1CN1CCOCC1 ZINC000019948468 558314730 /nfs/dbraw/zinc/31/47/30/558314730.db2.gz KKISZWGPVDCBRF-UXBLZVDNSA-N 0 2 403.478 4.282 50 30 HIEALN COc1ccc(-c2csc(N3N=C(C)C(=NNc4ccc(C)cc4)C3=O)n2)cc1 ZINC000013942553 558604985 /nfs/dbraw/zinc/60/49/85/558604985.db2.gz CMLIKBYTNLVJKO-CLCOLTQESA-N 0 2 405.483 4.318 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 ZINC000102406753 559150135 /nfs/dbraw/zinc/15/01/35/559150135.db2.gz GGHXTWPILQNDSG-LRWZUSMTSA-N 0 2 417.918 4.329 50 30 HIEALN CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1 ZINC000102406753 559150138 /nfs/dbraw/zinc/15/01/38/559150138.db2.gz GGHXTWPILQNDSG-LRWZUSMTSA-N 0 2 417.918 4.329 50 30 HIEALN CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238227 560548600 /nfs/dbraw/zinc/54/86/00/560548600.db2.gz ZIUZRRYCOMBTNQ-UHFFFAOYSA-N 0 2 404.495 4.163 50 30 HIEALN CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238232 560548694 /nfs/dbraw/zinc/54/86/94/560548694.db2.gz OLGQBISDNYUTME-UHFFFAOYSA-N 0 2 418.522 4.382 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2[nH]c1=S ZINC000018016464 560766683 /nfs/dbraw/zinc/76/66/83/560766683.db2.gz IBJKNDDKTCFNGK-LLVKDONJSA-N 0 2 401.438 4.014 50 30 HIEALN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000046668048 560772072 /nfs/dbraw/zinc/77/20/72/560772072.db2.gz CXHBUPFGBAXNEE-BTYIYWSLSA-N 0 2 401.422 4.221 50 30 HIEALN C=CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000018028833 560772073 /nfs/dbraw/zinc/77/20/73/560772073.db2.gz OXDXLTYUVZGYFA-UHFFFAOYSA-N 0 2 424.537 4.484 50 30 HIEALN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccco3)sc2c1 ZINC000000796045 568481308 /nfs/dbraw/zinc/48/13/08/568481308.db2.gz MRSKVEACKBYWBY-QGZVFWFLSA-N 0 2 422.418 4.274 50 30 HIEALN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)cc1 ZINC000252589583 569295024 /nfs/dbraw/zinc/29/50/24/569295024.db2.gz AKUJKCGQDDKMQZ-IBGZPJMESA-N 0 2 411.527 4.409 50 30 HIEALN CCOc1ccc(N=C2S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000252621222 569307682 /nfs/dbraw/zinc/30/76/82/569307682.db2.gz MVMKYQJCWHMCJW-MORMLQEESA-N 0 2 413.455 4.323 50 30 HIEALN O=C(CC1S/C(=N\CCc2cccs2)NC1=O)Nc1ccc2ccccc2c1 ZINC000012995524 845902130 /nfs/dbraw/zinc/90/21/30/845902130.db2.gz PMHIMWXXAGVYIR-SFHVURJKSA-N 0 2 409.536 4.060 50 30 HIEALN CNC(=O)CC1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O ZINC000254348952 854210435 /nfs/dbraw/zinc/21/04/35/854210435.db2.gz HOYLSNDWBILHBI-GOSISDBHSA-N 0 2 415.946 4.225 50 30 HIEALN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(Cc2ccccc2Cl)C1=O ZINC000254348952 854210441 /nfs/dbraw/zinc/21/04/41/854210441.db2.gz HOYLSNDWBILHBI-GOSISDBHSA-N 0 2 415.946 4.225 50 30 HIEALN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2O)ccc1O ZINC000038175512 521907466 /nfs/dbraw/zinc/90/74/66/521907466.db2.gz RDNIMCRFFFXAKI-WSDLNYQXSA-N 0 2 404.382 4.080 50 30 HIEALN Cc1ccccc1NC(=O)CC1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000004616639 558862769 /nfs/dbraw/zinc/86/27/69/558862769.db2.gz HYGFSDTUAZECMX-AEKNLGIRSA-N 0 2 410.524 4.195 50 30 HIEALN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000004616639 558862771 /nfs/dbraw/zinc/86/27/71/558862771.db2.gz HYGFSDTUAZECMX-AEKNLGIRSA-N 0 2 410.524 4.195 50 30 HIEALN CC(C)(C)OC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F ZINC000096511623 559111122 /nfs/dbraw/zinc/11/11/22/559111122.db2.gz JVMRQBMSCQGNET-CJLVFECKSA-N 0 2 412.870 4.020 50 30 HIEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102732792 560822632 /nfs/dbraw/zinc/82/26/32/560822632.db2.gz PQUDGBSFMNKUHN-IDTYTIONSA-N 0 2 416.220 4.003 50 30 HIEALN O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccccc1Cl)c1ccc(F)cc1 ZINC000000934465 568751632 /nfs/dbraw/zinc/75/16/32/568751632.db2.gz JHLICAGJXXRYAK-HNNXBMFYSA-N 0 2 415.833 4.114 50 30 HIEALN CCCCCCCCNC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)coc1=N ZINC000003286036 568872456 /nfs/dbraw/zinc/87/24/56/568872456.db2.gz DZZMNFPSWSSIJP-UHFFFAOYSA-N 0 2 404.894 4.439 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)n1 ZINC000008075962 568972475 /nfs/dbraw/zinc/97/24/75/568972475.db2.gz UFGLGGZEPQVKNH-LBPRGKRZSA-N 0 2 401.542 4.075 50 30 HIEALN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)n1 ZINC000008075962 568972477 /nfs/dbraw/zinc/97/24/77/568972477.db2.gz UFGLGGZEPQVKNH-LBPRGKRZSA-N 0 2 401.542 4.075 50 30 HIEALN CCn1c(C)csc1=NN=Cc1cc(Br)c(O)c(Br)c1 ZINC000252515960 569292157 /nfs/dbraw/zinc/29/21/57/569292157.db2.gz OXXWZMCCOROWRU-UHFFFAOYSA-N 0 2 419.142 4.043 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000252600226 569296633 /nfs/dbraw/zinc/29/66/33/569296633.db2.gz DPCFCFGXKXNPBQ-INIZCTEOSA-N 0 2 402.426 4.146 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2F)S1)c1ccc(F)cc1 ZINC000252600226 569296634 /nfs/dbraw/zinc/29/66/34/569296634.db2.gz DPCFCFGXKXNPBQ-INIZCTEOSA-N 0 2 402.426 4.146 50 30 HIEALN Cc1cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(O)c([N+](=O)[O-])c1 ZINC000019849882 526093167 /nfs/dbraw/zinc/09/31/67/526093167.db2.gz HCTGFCRRKPUYBR-ZVBGSRNCSA-N 0 2 412.324 4.067 50 30 HIEALN Cc1cccc(NC(=O)CC2S/C(=N\N=C3CCCCCCC3)NC2=O)c1C ZINC000006504457 557705879 /nfs/dbraw/zinc/70/58/79/557705879.db2.gz DTQVGVHKFFNMNL-SFHVURJKSA-N 0 2 400.548 4.320 50 30 HIEALN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)c1C ZINC000006504457 557705883 /nfs/dbraw/zinc/70/58/83/557705883.db2.gz DTQVGVHKFFNMNL-SFHVURJKSA-N 0 2 400.548 4.320 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000006615853 557710417 /nfs/dbraw/zinc/71/04/17/557710417.db2.gz FBXRUPQWWWDDEE-ZFVWIKOCSA-N 0 2 414.453 4.044 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 ZINC000006615853 557710423 /nfs/dbraw/zinc/71/04/23/557710423.db2.gz FBXRUPQWWWDDEE-ZFVWIKOCSA-N 0 2 414.453 4.044 50 30 HIEALN O=C(/C(=C/c1cc([N+](=O)[O-])ccc1O)n1cncn1)c1ccc(Cl)cc1Cl ZINC000004524216 558652588 /nfs/dbraw/zinc/65/25/88/558652588.db2.gz DSEDOQXBZSDRSJ-UUASQNMZSA-N 0 2 405.197 4.080 50 30 HIEALN Cc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 ZINC000100769173 559265142 /nfs/dbraw/zinc/26/51/42/559265142.db2.gz CPCOKAFJUKNION-OUKQBFOZSA-N 0 2 422.510 4.011 50 30 HIEALN CC/N=C1\SC(CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000136415078 560584450 /nfs/dbraw/zinc/58/44/50/560584450.db2.gz OECACCVAPJYNES-WXVFVKJXSA-N 0 2 423.966 4.330 50 30 HIEALN CC/N=C1\S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000136415078 560584451 /nfs/dbraw/zinc/58/44/51/560584451.db2.gz OECACCVAPJYNES-WXVFVKJXSA-N 0 2 423.966 4.330 50 30 HIEALN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000103167366 560839742 /nfs/dbraw/zinc/83/97/42/560839742.db2.gz AYXHHTXSFZZGFF-NXEZZACHSA-N 0 2 422.247 4.120 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH]c1=S ZINC000012607400 568871352 /nfs/dbraw/zinc/87/13/52/568871352.db2.gz FMVJIZYQVRAAJL-UHFFFAOYSA-N 0 2 421.400 4.396 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3)cc2[nH]c1=S ZINC000012607392 568871378 /nfs/dbraw/zinc/87/13/78/568871378.db2.gz GHTYHKSBORMBII-UHFFFAOYSA-N 0 2 408.527 4.344 50 30 HIEALN COc1ccc(NC(=O)CC2SC(=Nc3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000252610218 569298138 /nfs/dbraw/zinc/29/81/38/569298138.db2.gz HZIPTYPBZWWTOD-QGZVFWFLSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@H]2SC(=Nc3cccc(Cl)c3C)N(C)C2=O)cc1 ZINC000252610218 569298139 /nfs/dbraw/zinc/29/81/39/569298139.db2.gz HZIPTYPBZWWTOD-QGZVFWFLSA-N 0 2 417.918 4.247 50 30 HIEALN O=C(CC1SC(=NN=Cc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000252620178 569304238 /nfs/dbraw/zinc/30/42/38/569304238.db2.gz LYXOJXJGIJAVQQ-OAHLLOKOSA-N 0 2 420.416 4.496 50 30 HIEALN O=C(C[C@H]1SC(=NN=Cc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000252620178 569304240 /nfs/dbraw/zinc/30/42/40/569304240.db2.gz LYXOJXJGIJAVQQ-OAHLLOKOSA-N 0 2 420.416 4.496 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)CC1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252628873 569311441 /nfs/dbraw/zinc/31/14/41/569311441.db2.gz SZUHKPSXUYBMID-INIZCTEOSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252628873 569311442 /nfs/dbraw/zinc/31/14/42/569311442.db2.gz SZUHKPSXUYBMID-INIZCTEOSA-N 0 2 405.882 4.378 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1 ZINC000059254529 521389149 /nfs/dbraw/zinc/38/91/49/521389149.db2.gz QGKSAVZHRHXZIG-RSTPCFTMSA-N 0 2 411.527 4.292 50 30 HIEALN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)c(CN2CCOCC2)c1 ZINC000020602034 523403488 /nfs/dbraw/zinc/40/34/88/523403488.db2.gz BZSCSENQSAIHQF-DHZHZOJOSA-N 0 2 403.478 4.282 50 30 HIEALN CCOc1ccc(NN=C2C(=O)N(c3nc(-c4ccccc4)cs3)N=C2C)cc1 ZINC000004610965 557571907 /nfs/dbraw/zinc/57/19/07/557571907.db2.gz WALDGNUIZRWTJV-CLCOLTQESA-N 0 2 405.483 4.399 50 30 HIEALN CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)s1 ZINC000100004992 559128400 /nfs/dbraw/zinc/12/84/00/559128400.db2.gz GVKDFJGAANLQET-YBFXNURJSA-N 0 2 406.920 4.305 50 30 HIEALN CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238238 560548690 /nfs/dbraw/zinc/54/86/90/560548690.db2.gz BMINSDULQHCERL-UHFFFAOYSA-N 0 2 404.495 4.163 50 30 HIEALN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cc(C)ccc3C)[nH]c(=O)c2C#N)cc1 ZINC000005238325 560548789 /nfs/dbraw/zinc/54/87/89/560548789.db2.gz GIZQQLYKEVERBU-INIZCTEOSA-N 0 2 418.522 4.353 50 30 HIEALN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238313 560548874 /nfs/dbraw/zinc/54/88/74/560548874.db2.gz PMNXMTHOHGARME-HNNXBMFYSA-N 0 2 404.495 4.045 50 30 HIEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 ZINC000017242327 560705233 /nfs/dbraw/zinc/70/52/33/560705233.db2.gz LESFYOHJDUGLBM-HNNXBMFYSA-N 0 2 407.417 4.262 50 30 HIEALN Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 ZINC000017242327 560705236 /nfs/dbraw/zinc/70/52/36/560705236.db2.gz LESFYOHJDUGLBM-HNNXBMFYSA-N 0 2 407.417 4.262 50 30 HIEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102732796 560822643 /nfs/dbraw/zinc/82/26/43/560822643.db2.gz PQUDGBSFMNKUHN-DPEHCCBOSA-N 0 2 416.220 4.003 50 30 HIEALN N#C[C@H](C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334969 568882623 /nfs/dbraw/zinc/88/26/23/568882623.db2.gz ZXOWUNFZWAYKRA-CYBMUJFWSA-N 0 2 401.241 4.016 50 30 HIEALN N#CC(C(=O)c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334969 568882626 /nfs/dbraw/zinc/88/26/26/568882626.db2.gz ZXOWUNFZWAYKRA-CYBMUJFWSA-N 0 2 401.241 4.016 50 30 HIEALN CC1=NN(c2ncc(-c3ccccc3O)s2)C(=O)C1=NNc1cc(C)ccc1C ZINC000004550807 569255364 /nfs/dbraw/zinc/25/53/64/569255364.db2.gz YMNAJCNGMXBZED-CLCOLTQESA-N 0 2 405.483 4.323 50 30 HIEALN COc1ccccc1N=C1SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000252610038 569298140 /nfs/dbraw/zinc/29/81/40/569298140.db2.gz HYGQMCZVYNMPKE-IBGZPJMESA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000252610038 569298141 /nfs/dbraw/zinc/29/81/41/569298141.db2.gz HYGQMCZVYNMPKE-IBGZPJMESA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccc(Cl)cc1NC(=O)CC1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252627249 569310821 /nfs/dbraw/zinc/31/08/21/569310821.db2.gz RPRPIGVPLHQXPR-MRXNPFEDSA-N 0 2 421.881 4.078 50 30 HIEALN COc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252627249 569310822 /nfs/dbraw/zinc/31/08/22/569310822.db2.gz RPRPIGVPLHQXPR-MRXNPFEDSA-N 0 2 421.881 4.078 50 30 HIEALN N#C[C@H](C(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000048553591 569358897 /nfs/dbraw/zinc/35/88/97/569358897.db2.gz HDIWWRRRNVKQGP-OAHLLOKOSA-N 0 2 408.439 4.190 50 30 HIEALN CCCOc1ccc(-c2nc(SCc3ccccc3)[nH]c(=O)c2C#N)cc1OC ZINC000013111429 569409175 /nfs/dbraw/zinc/40/91/75/569409175.db2.gz UYDFQOGOFNVYDE-UHFFFAOYSA-N 0 2 407.495 4.398 50 30 HIEALN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594468 569415754 /nfs/dbraw/zinc/41/57/54/569415754.db2.gz MIIPKIVYHJNKIC-HXUWFJFHSA-N 0 2 407.514 4.431 50 30 HIEALN COc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2CSc2ccccn2)cc1 ZINC000026966909 524380403 /nfs/dbraw/zinc/38/04/03/524380403.db2.gz RLRSATSTFYDDRT-DAFNUICNSA-N 0 2 417.494 4.053 50 30 HIEALN O=C(CC1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000021133153 527185181 /nfs/dbraw/zinc/18/51/81/527185181.db2.gz YKSDEGNVWIGZMG-CYBMUJFWSA-N 0 2 400.331 4.242 50 30 HIEALN O=C(C[C@H]1S/C(=N/C2CCCCC2)NC1=O)Nc1cccc(Cl)c1Cl ZINC000021133153 527185185 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CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000008385062 557785175 /nfs/dbraw/zinc/78/51/75/557785175.db2.gz FCQYTTVNKBZVPE-AKRDWEBESA-N 0 2 424.404 4.479 50 30 HIEALN C=CCOc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000016248010 559078623 /nfs/dbraw/zinc/07/86/23/559078623.db2.gz MYTATTBVWSCSHU-NTEUORMPSA-N 0 2 419.264 4.028 50 30 HIEALN Cc1cccc(O)c1/N=C/c1cc(Br)c(O)c(Br)c1O ZINC000001445066 568982192 /nfs/dbraw/zinc/98/21/92/568982192.db2.gz LGVRDQQMUNBVPH-UBKPWBPPSA-N 0 2 401.054 4.387 50 30 HIEALN CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C(=NO)Sc1ccccc1 ZINC000252634270 569315540 /nfs/dbraw/zinc/31/55/40/569315540.db2.gz WMEWOLCHDVGRME-UHFFFAOYSA-N 0 2 423.494 4.429 50 30 HIEALN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594467 569415771 /nfs/dbraw/zinc/41/57/71/569415771.db2.gz MIIPKIVYHJNKIC-FQEVSTJZSA-N 0 2 407.514 4.431 50 30 HIEALN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000254734378 854213598 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HIEALN CC(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100041687 559129082 /nfs/dbraw/zinc/12/90/82/559129082.db2.gz VMRLNPHYYNLINM-UHFFFAOYSA-N 0 2 404.122 4.273 50 30 HIEALN CC(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100041687 559129083 /nfs/dbraw/zinc/12/90/83/559129083.db2.gz VMRLNPHYYNLINM-UHFFFAOYSA-N 0 2 404.122 4.273 50 30 HIEALN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3C)[nH]c(=O)c2C#N)cc1 ZINC000005238315 560548857 /nfs/dbraw/zinc/54/88/57/560548857.db2.gz QTEQYNWTMRFJIP-HNNXBMFYSA-N 0 2 404.495 4.045 50 30 HIEALN Cc1ccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 ZINC000017242322 560705264 /nfs/dbraw/zinc/70/52/64/560705264.db2.gz LESFYOHJDUGLBM-OAHLLOKOSA-N 0 2 407.417 4.262 50 30 HIEALN Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3C(F)(F)F)S2)cc1 ZINC000017242322 560705266 /nfs/dbraw/zinc/70/52/66/560705266.db2.gz LESFYOHJDUGLBM-OAHLLOKOSA-N 0 2 407.417 4.262 50 30 HIEALN CC/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000000986999 568760679 /nfs/dbraw/zinc/76/06/79/568760679.db2.gz OECACCVAPJYNES-MBOBHEEDSA-N 0 2 423.966 4.330 50 30 HIEALN CC/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000000986999 568760680 /nfs/dbraw/zinc/76/06/80/568760680.db2.gz OECACCVAPJYNES-MBOBHEEDSA-N 0 2 423.966 4.330 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000252598910 569296697 /nfs/dbraw/zinc/29/66/97/569296697.db2.gz DELPAEGPHPTYTD-UHFFFAOYSA-N 0 2 413.437 4.431 50 30 HIEALN Nc1ccc2[nH]c(-c3ccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])cc3)[nH+]c2c1 ZINC000008857453 571128265 /nfs/dbraw/zinc/12/82/65/571128265.db2.gz NSLQOQMSEMKKBE-LSHDLFTRSA-N 0 2 418.369 4.085 50 30 HIEALN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)COc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000009137792 571229869 /nfs/dbraw/zinc/22/98/69/571229869.db2.gz COXCDOBDBFZCMT-JTQLQIEISA-N 0 2 419.224 4.044 50 30 HIEALN Cn1c2ccccc2nc1C(C#N)C(=O)COc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000009137792 571229870 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CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccco2)s1 ZINC000013692225 558855910 /nfs/dbraw/zinc/85/59/10/558855910.db2.gz WRTQIDNBTWSNDQ-ZDUSSCGKSA-N 0 2 401.469 4.099 50 30 HIEALN COc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000068766840 558864918 /nfs/dbraw/zinc/86/49/18/558864918.db2.gz HYGQMCZVYNMPKE-COPMAWBXSA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccccc1/N=C1\S[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000068766840 558864921 /nfs/dbraw/zinc/86/49/21/558864921.db2.gz HYGQMCZVYNMPKE-COPMAWBXSA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662065 559147551 /nfs/dbraw/zinc/14/75/51/559147551.db2.gz BSMNRKJALJWQMA-LRWZUSMTSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662065 559147553 /nfs/dbraw/zinc/14/75/53/559147553.db2.gz BSMNRKJALJWQMA-LRWZUSMTSA-N 0 2 417.918 4.247 50 30 HIEALN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000101662193 559147613 /nfs/dbraw/zinc/14/76/13/559147613.db2.gz SVBPDZHBSAHCQX-IHIJCHFRSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000101662193 559147615 /nfs/dbraw/zinc/14/76/15/559147615.db2.gz SVBPDZHBSAHCQX-IHIJCHFRSA-N 0 2 405.882 4.378 50 30 HIEALN O=[N+]([O-])c1cc(OC(F)(F)C(F)(F)F)c(O)c(OC(F)(F)C(F)(F)F)c1 ZINC000095676297 568643463 /nfs/dbraw/zinc/64/34/63/568643463.db2.gz DEOKUSPOZQDNNK-UHFFFAOYSA-N 0 2 407.116 4.368 50 30 HIEALN COc1ccc(N=C2SC(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)cc1 ZINC000252589586 569295046 /nfs/dbraw/zinc/29/50/46/569295046.db2.gz AKUJKCGQDDKMQZ-LJQANCHMSA-N 0 2 411.527 4.409 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000252601756 569296850 /nfs/dbraw/zinc/29/68/50/569296850.db2.gz FCQYTTVNKBZVPE-CQSZACIVSA-N 0 2 424.404 4.479 50 30 HIEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000252601756 569296851 /nfs/dbraw/zinc/29/68/51/569296851.db2.gz FCQYTTVNKBZVPE-CQSZACIVSA-N 0 2 424.404 4.479 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)CC1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252628874 569311446 /nfs/dbraw/zinc/31/14/46/569311446.db2.gz SZUHKPSXUYBMID-MRXNPFEDSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252628874 569311447 /nfs/dbraw/zinc/31/14/47/569311447.db2.gz SZUHKPSXUYBMID-MRXNPFEDSA-N 0 2 405.882 4.378 50 30 HIEALN O=C(CC1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013130428 845906544 /nfs/dbraw/zinc/90/65/44/845906544.db2.gz KRICZPPOQIUNDJ-IBGZPJMESA-N 0 2 421.478 4.188 50 30 HIEALN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 ZINC000254705262 854213282 /nfs/dbraw/zinc/21/32/82/854213282.db2.gz CFEQBFIKCDBFJG-FQEVSTJZSA-N 0 2 411.571 4.486 50 30 HIEALN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 ZINC000254705262 854213287 /nfs/dbraw/zinc/21/32/87/854213287.db2.gz CFEQBFIKCDBFJG-FQEVSTJZSA-N 0 2 411.571 4.486 50 30 HIEALN CCCC/N=C1\SC(CC(=O)Nc2cccc(OCC)c2)C(=O)N1CCCC ZINC000102406404 519887331 /nfs/dbraw/zinc/88/73/31/519887331.db2.gz JUMZJARXBYBWBE-UGNPLGLKSA-N 0 2 405.564 4.314 50 30 HIEALN CCCC/N=C1\S[C@H](CC(=O)Nc2cccc(OCC)c2)C(=O)N1CCCC ZINC000102406404 519887334 /nfs/dbraw/zinc/88/73/34/519887334.db2.gz JUMZJARXBYBWBE-UGNPLGLKSA-N 0 2 405.564 4.314 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(C)C1=O ZINC000000986802 557132544 /nfs/dbraw/zinc/13/25/44/557132544.db2.gz SZUHKPSXUYBMID-VFOOBRQFSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O ZINC000000986802 557132547 /nfs/dbraw/zinc/13/25/47/557132547.db2.gz SZUHKPSXUYBMID-VFOOBRQFSA-N 0 2 405.882 4.378 50 30 HIEALN O=C(c1cccs1)C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccccc1Cl ZINC000009763858 557849649 /nfs/dbraw/zinc/84/96/49/557849649.db2.gz NSVIYOLSCQEYNS-ZDUSSCGKSA-N 0 2 403.872 4.036 50 30 HIEALN O=C(c1cccs1)C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1ccccc1Cl ZINC000009763857 557849656 /nfs/dbraw/zinc/84/96/56/557849656.db2.gz NSVIYOLSCQEYNS-CYBMUJFWSA-N 0 2 403.872 4.036 50 30 HIEALN O=C(C[C@H]1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 ZINC000005649897 560636407 /nfs/dbraw/zinc/63/64/07/560636407.db2.gz STNWWFDJELGPNZ-OAQYLSRUSA-N 0 2 411.486 4.280 50 30 HIEALN O=C(CC1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 ZINC000005649897 560636408 /nfs/dbraw/zinc/63/64/08/560636408.db2.gz STNWWFDJELGPNZ-OAQYLSRUSA-N 0 2 411.486 4.280 50 30 HIEALN COc1ccc(NN=C2C(=O)N(c3ccccc3C)N=C2c2ccc(OC)cc2)cc1 ZINC000018192730 560782147 /nfs/dbraw/zinc/78/21/47/560782147.db2.gz SMMGXMQZZFDMFD-WNAAXNPUSA-N 0 2 414.465 4.231 50 30 HIEALN CC/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000017084547 569273261 /nfs/dbraw/zinc/27/32/61/569273261.db2.gz PMUQPHYPVHAKGK-ZJYNUGOYSA-N 0 2 424.364 4.040 50 30 HIEALN CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000017084547 569273262 /nfs/dbraw/zinc/27/32/62/569273262.db2.gz PMUQPHYPVHAKGK-ZJYNUGOYSA-N 0 2 424.364 4.040 50 30 HIEALN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c([N+](=O)[O-])c1 ZINC000001140086 569277324 /nfs/dbraw/zinc/27/73/24/569277324.db2.gz JCTYOPFWILPMFS-UHFFFAOYSA-N 0 2 410.470 4.274 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2[N+](=O)[O-])S1)C1CCCCC1 ZINC000004980149 557620094 /nfs/dbraw/zinc/62/00/94/557620094.db2.gz PSXFPCYKYRSGCV-LTNVFZTJSA-N 0 2 417.491 4.308 50 30 HIEALN CC(=NN=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S1)C1CCCCC1 ZINC000004980149 557620097 /nfs/dbraw/zinc/62/00/97/557620097.db2.gz PSXFPCYKYRSGCV-LTNVFZTJSA-N 0 2 417.491 4.308 50 30 HIEALN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)c1 ZINC000059254530 558933020 /nfs/dbraw/zinc/93/30/20/558933020.db2.gz QGKSAVZHRHXZIG-DRGFOCDESA-N 0 2 411.527 4.292 50 30 HIEALN CCOC(=O)c1csc(N=CC2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1C#N ZINC000101141491 560788398 /nfs/dbraw/zinc/78/83/98/560788398.db2.gz XMMSYZDCFRQHMN-LICLKQGHSA-N 0 2 408.483 4.132 50 30 HIEALN C=CCN1C(=O)C(=O)C(=C(O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000101231668 560789397 /nfs/dbraw/zinc/78/93/97/560789397.db2.gz YKXXRLDJDNAROH-SELCWUDQSA-N 0 2 412.283 4.365 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 ZINC000008160912 568979180 /nfs/dbraw/zinc/97/91/80/568979180.db2.gz UAOMDLDQXBHHGV-MRXNPFEDSA-N 0 2 408.552 4.485 50 30 HIEALN Cc1csc([C@H](C#N)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n1 ZINC000008160912 568979181 /nfs/dbraw/zinc/97/91/81/568979181.db2.gz UAOMDLDQXBHHGV-MRXNPFEDSA-N 0 2 408.552 4.485 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000252626183 569051361 /nfs/dbraw/zinc/05/13/61/569051361.db2.gz QXYJQOWKIGNYOB-ZDUSSCGKSA-N 0 2 411.325 4.238 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000252626183 569051362 /nfs/dbraw/zinc/05/13/62/569051362.db2.gz QXYJQOWKIGNYOB-ZDUSSCGKSA-N 0 2 411.325 4.238 50 30 HIEALN CC/N=C1\SC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000017084548 569273199 /nfs/dbraw/zinc/27/31/99/569273199.db2.gz PMUQPHYPVHAKGK-MEUCICPISA-N 0 2 424.364 4.040 50 30 HIEALN CC/N=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1C1CCCC1 ZINC000017084548 569273202 /nfs/dbraw/zinc/27/32/02/569273202.db2.gz PMUQPHYPVHAKGK-MEUCICPISA-N 0 2 424.364 4.040 50 30 HIEALN COc1ccc(C(C)=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000252642728 569318760 /nfs/dbraw/zinc/31/87/60/569318760.db2.gz ZOZGXVQQGHDIRX-GOSISDBHSA-N 0 2 410.499 4.184 50 30 HIEALN COc1ccc(C(C)=NN=C2NC(=O)C(CC(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000252642728 569318759 /nfs/dbraw/zinc/31/87/59/569318759.db2.gz ZOZGXVQQGHDIRX-GOSISDBHSA-N 0 2 410.499 4.184 50 30 HIEALN O=C(c1ccco1)C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000001155465 557213747 /nfs/dbraw/zinc/21/37/47/557213747.db2.gz NKGGHGSTFRZLCN-OAHLLOKOSA-N 0 2 416.220 4.159 50 30 HIEALN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 ZINC000004577152 557569419 /nfs/dbraw/zinc/56/94/19/557569419.db2.gz ZRXLLAYHXHUGLW-LSPPGFKNSA-N 0 2 400.548 4.176 50 30 HIEALN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S1)C1CCCCC1 ZINC000004577152 557569423 /nfs/dbraw/zinc/56/94/23/557569423.db2.gz ZRXLLAYHXHUGLW-LSPPGFKNSA-N 0 2 400.548 4.176 50 30 HIEALN CCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)cc1 ZINC000017084393 558815936 /nfs/dbraw/zinc/81/59/36/558815936.db2.gz UHRNKOCDBQFNOA-MAVBTGMRSA-N 0 2 411.527 4.292 50 30 HIEALN C=CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000004703298 558912944 /nfs/dbraw/zinc/91/29/44/558912944.db2.gz JKKCKDBGPCYAOJ-LDADJPATSA-N 0 2 405.841 4.147 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2[nH]c1=S ZINC000011716394 559254837 /nfs/dbraw/zinc/25/48/37/559254837.db2.gz MZAUSOSNVZFAGW-UHFFFAOYSA-N 0 2 422.510 4.092 50 30 HIEALN CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000005238250 560548608 /nfs/dbraw/zinc/54/86/08/560548608.db2.gz HGYLHPJDYGXVGS-OAHLLOKOSA-N 0 2 418.522 4.299 50 30 HIEALN COc1cc(N2N=C(C)C(C=Nc3sc4c(c3C#N)CCC4)C2=O)ccc1Cl ZINC000101128472 560788308 /nfs/dbraw/zinc/78/83/08/560788308.db2.gz IZDHMYUAUXKRLF-XNTDXEJSSA-N 0 2 412.902 4.489 50 30 HIEALN Fc1ccc(OCc2ccc(C=NN3C(=S)N=NC3C(F)F)o2)c(Cl)c1 ZINC000002790301 568809561 /nfs/dbraw/zinc/80/95/61/568809561.db2.gz VOGYUGFNXMOPAQ-CGOBSMCZSA-N 0 2 402.785 4.351 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000252606356 569297447 /nfs/dbraw/zinc/29/74/47/569297447.db2.gz GRUKXBLFPYQRAY-ZDUSSCGKSA-N 0 2 400.426 4.494 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)C(C)C ZINC000252606356 569297448 /nfs/dbraw/zinc/29/74/48/569297448.db2.gz GRUKXBLFPYQRAY-ZDUSSCGKSA-N 0 2 400.426 4.494 50 30 HIEALN Cc1c(Cl)cccc1N=C1SC(CC(=O)Nc2ccccc2F)C(=O)N1C ZINC000252642906 569318799 /nfs/dbraw/zinc/31/87/99/569318799.db2.gz ZQTZFCWQXLUNMU-INIZCTEOSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C ZINC000252642906 569318800 /nfs/dbraw/zinc/31/88/00/569318800.db2.gz ZQTZFCWQXLUNMU-INIZCTEOSA-N 0 2 405.882 4.378 50 30 HIEALN N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000328594598 569415929 /nfs/dbraw/zinc/41/59/29/569415929.db2.gz XMAUMEMWMJYGGY-UHFFFAOYSA-N 0 2 405.195 4.140 50 30 HIEALN O=C(CC1S/C(=N/Cc2ccc(F)cc2)NC1=O)Nc1ccc2ccccc2c1 ZINC000012995520 845902216 /nfs/dbraw/zinc/90/22/16/845902216.db2.gz WBBMFLWBLGFYKA-LJQANCHMSA-N 0 2 407.470 4.095 50 30 HIEALN N#CC(C(=O)CSc1nncn1-c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000032777029 526490828 /nfs/dbraw/zinc/49/08/28/526490828.db2.gz LZIXRYHTUHCJAQ-KRWDZBQOSA-N 0 2 417.519 4.359 50 30 HIEALN N#C[C@@H](C(=O)CSc1nncn1-c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000032777029 526490836 /nfs/dbraw/zinc/49/08/36/526490836.db2.gz LZIXRYHTUHCJAQ-KRWDZBQOSA-N 0 2 417.519 4.359 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC(F)(F)F)cc3)S2)cc1 ZINC000001041420 557153359 /nfs/dbraw/zinc/15/33/59/557153359.db2.gz LPWMBMGFAINFNE-OAHLLOKOSA-N 0 2 423.416 4.142 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(OC(F)(F)F)cc3)S2)cc1 ZINC000001041420 557153365 /nfs/dbraw/zinc/15/33/65/557153365.db2.gz LPWMBMGFAINFNE-OAHLLOKOSA-N 0 2 423.416 4.142 50 30 HIEALN Oc1c(Br)cc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000004531855 557564203 /nfs/dbraw/zinc/56/42/03/557564203.db2.gz GZJNJERKZOBKPS-REZTVBANSA-N 0 2 410.069 4.240 50 30 HIEALN Oc1c(Br)cc(Br)cc1C=NNc1nc2ccccc2[nH]1 ZINC000004531855 557564207 /nfs/dbraw/zinc/56/42/07/557564207.db2.gz GZJNJERKZOBKPS-REZTVBANSA-N 0 2 410.069 4.240 50 30 HIEALN Cc1ccc(NC(=O)CC2S/C(=N\N=C3CCCCCC3)NC2=O)cc1Cl ZINC000005101537 557635810 /nfs/dbraw/zinc/63/58/10/557635810.db2.gz OMVYPZXMKSWTOB-INIZCTEOSA-N 0 2 406.939 4.275 50 30 HIEALN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCCCC3)NC2=O)cc1Cl ZINC000005101537 557635813 /nfs/dbraw/zinc/63/58/13/557635813.db2.gz OMVYPZXMKSWTOB-INIZCTEOSA-N 0 2 406.939 4.275 50 30 HIEALN COc1ccccc1C=NN=C1NC(=O)C(CC(=O)Nc2ccc(Cl)cc2)S1 ZINC000005102096 557635892 /nfs/dbraw/zinc/63/58/92/557635892.db2.gz LYPLKOMGCWVFTA-XYHOIZSOSA-N 0 2 416.890 4.139 50 30 HIEALN COc1ccccc1C=NN=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1 ZINC000005102096 557635896 /nfs/dbraw/zinc/63/58/96/557635896.db2.gz LYPLKOMGCWVFTA-XYHOIZSOSA-N 0 2 416.890 4.139 50 30 HIEALN O=C(CC1S/C(=N\N=C2CCCCC2)NC1=O)Nc1cc(Cl)ccc1Cl ZINC000005649193 557666638 /nfs/dbraw/zinc/66/66/38/557666638.db2.gz SRUGNZWTCFYHNY-AWEZNQCLSA-N 0 2 413.330 4.230 50 30 HIEALN O=C(C[C@@H]1S/C(=N\N=C2CCCCC2)NC1=O)Nc1cc(Cl)ccc1Cl ZINC000005649193 557666641 /nfs/dbraw/zinc/66/66/41/557666641.db2.gz SRUGNZWTCFYHNY-AWEZNQCLSA-N 0 2 413.330 4.230 50 30 HIEALN N#Cc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033122883 558879689 /nfs/dbraw/zinc/87/96/89/558879689.db2.gz IWYUEEITEOXNAO-UHFFFAOYSA-N 0 2 408.464 4.138 50 30 HIEALN CCCOc1ccc(NC(=O)CC2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000004682466 558894523 /nfs/dbraw/zinc/89/45/23/558894523.db2.gz ZKMVLBIDIJIPKC-GOTYSUTNSA-N 0 2 415.490 4.205 50 30 HIEALN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000004682466 558894524 /nfs/dbraw/zinc/89/45/24/558894524.db2.gz ZKMVLBIDIJIPKC-GOTYSUTNSA-N 0 2 415.490 4.205 50 30 HIEALN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cccc3ccccc32)nc1-c1ccccc1 ZINC000005095379 559244973 /nfs/dbraw/zinc/24/49/73/559244973.db2.gz FLJPLYHXEYXFTH-UHFFFAOYSA-N 0 2 412.474 4.193 50 30 HIEALN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 ZINC000005238248 560548613 /nfs/dbraw/zinc/54/86/13/560548613.db2.gz CTLZVHMWXYZHMT-MRXNPFEDSA-N 0 2 418.522 4.353 50 30 HIEALN Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\O ZINC000005749366 560869580 /nfs/dbraw/zinc/86/95/80/560869580.db2.gz AZKXJPNLKNCEJE-PGMHBOJBSA-N 0 2 406.916 4.424 50 30 HIEALN COc1ccc(Cl)cc1NC(=O)CC1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252627248 569310824 /nfs/dbraw/zinc/31/08/24/569310824.db2.gz RPRPIGVPLHQXPR-INIZCTEOSA-N 0 2 421.881 4.078 50 30 HIEALN COc1ccc(Cl)cc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C)C1=O ZINC000252627248 569310825 /nfs/dbraw/zinc/31/08/25/569310825.db2.gz RPRPIGVPLHQXPR-INIZCTEOSA-N 0 2 421.881 4.078 50 30 HIEALN N#C[C@@H](C(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000048553586 569359001 /nfs/dbraw/zinc/35/90/01/569359001.db2.gz HDIWWRRRNVKQGP-HNNXBMFYSA-N 0 2 408.439 4.190 50 30 HIEALN N#Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000008875113 132333894 /nfs/dbraw/zinc/33/38/94/132333894.db2.gz SWTCDASRLVAPNZ-WQRHYEAKSA-N 0 2 417.808 4.138 50 30 HIEALN C=C(C)C[NH+]1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020737863 518605462 /nfs/dbraw/zinc/60/54/62/518605462.db2.gz QSHLEVDBZLCPOY-XMMPIXPASA-N 0 2 419.525 4.066 50 30 HIEALN CCCC/N=C1\SC(CC(=O)Nc2cccc(OCC)c2)C(=O)N1CCCC ZINC000102406398 519887482 /nfs/dbraw/zinc/88/74/82/519887482.db2.gz JUMZJARXBYBWBE-ZREAOVPFSA-N 0 2 405.564 4.314 50 30 HIEALN CCCC/N=C1\S[C@@H](CC(=O)Nc2cccc(OCC)c2)C(=O)N1CCCC ZINC000102406398 519887483 /nfs/dbraw/zinc/88/74/83/519887483.db2.gz JUMZJARXBYBWBE-ZREAOVPFSA-N 0 2 405.564 4.314 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC(F)(F)F)cc3)S2)cc1 ZINC000001041422 557153504 /nfs/dbraw/zinc/15/35/04/557153504.db2.gz LPWMBMGFAINFNE-HNNXBMFYSA-N 0 2 423.416 4.142 50 30 HIEALN Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(OC(F)(F)F)cc3)S2)cc1 ZINC000001041422 557153507 /nfs/dbraw/zinc/15/35/07/557153507.db2.gz LPWMBMGFAINFNE-HNNXBMFYSA-N 0 2 423.416 4.142 50 30 HIEALN O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000008899639 557813398 /nfs/dbraw/zinc/81/33/98/557813398.db2.gz CAMYRXMRKQMFAE-HNNXBMFYSA-N 0 2 415.833 4.114 50 30 HIEALN O=C(C[C@H]1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000004538758 558661456 /nfs/dbraw/zinc/66/14/56/558661456.db2.gz UMUATOUXXLBDFU-FLOXNNGASA-N 0 2 417.534 4.425 50 30 HIEALN O=C(CC1SC(=NN=CC=Cc2ccccc2)NC1=O)c1ccc2c(c1)CCCC2 ZINC000004538758 558661460 /nfs/dbraw/zinc/66/14/60/558661460.db2.gz UMUATOUXXLBDFU-FLOXNNGASA-N 0 2 417.534 4.425 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1 ZINC000018066323 558830450 /nfs/dbraw/zinc/83/04/50/558830450.db2.gz DBDIOCFIBUTOLS-KHAGQWAKSA-N 0 2 415.346 4.332 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1 ZINC000018066323 558830452 /nfs/dbraw/zinc/83/04/52/558830452.db2.gz 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O=C(C[C@@H]1SC(=NN=Cc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000252620177 569304177 /nfs/dbraw/zinc/30/41/77/569304177.db2.gz LYXOJXJGIJAVQQ-HNNXBMFYSA-N 0 2 420.416 4.496 50 30 HIEALN Cc1c(N=Cc2cc([N+](=O)[O-])c3ccccc3c2O)c(=O)n(-c2ccccc2)n1C ZINC000252621535 569307645 /nfs/dbraw/zinc/30/76/45/569307645.db2.gz NARAHZCKNREVIY-UHFFFAOYSA-N 0 2 402.410 4.002 50 30 HIEALN CC/N=C1/SC(CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000008618402 571096133 /nfs/dbraw/zinc/09/61/33/571096133.db2.gz OECACCVAPJYNES-XGIGFIBQSA-N 0 2 423.966 4.330 50 30 HIEALN CC/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N1C1CCCCC1 ZINC000008618402 571096137 /nfs/dbraw/zinc/09/61/37/571096137.db2.gz OECACCVAPJYNES-XGIGFIBQSA-N 0 2 423.966 4.330 50 30 HIEALN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 ZINC000254705264 854213554 /nfs/dbraw/zinc/21/35/54/854213554.db2.gz CFEQBFIKCDBFJG-HXUWFJFHSA-N 0 2 411.571 4.486 50 30 HIEALN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC2=CCCCC2)c1 ZINC000254705264 854213561 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HIEALN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)c(O)c(Br)c2)cc1 ZINC000016310741 527358630 /nfs/dbraw/zinc/35/86/30/527358630.db2.gz HOVQHKCNHLQHOD-FRKPEAEDSA-N 0 2 415.041 4.271 50 30 HIEALN Cc1ccc(NC(=O)CC2S/C(=N\N=C3CCCCCC3)NC2=O)cc1Cl ZINC000005101534 557635780 /nfs/dbraw/zinc/63/57/80/557635780.db2.gz OMVYPZXMKSWTOB-MRXNPFEDSA-N 0 2 406.939 4.275 50 30 HIEALN Cc1ccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCCCC3)NC2=O)cc1Cl ZINC000005101534 557635783 /nfs/dbraw/zinc/63/57/83/557635783.db2.gz OMVYPZXMKSWTOB-MRXNPFEDSA-N 0 2 406.939 4.275 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000005408121 557651667 /nfs/dbraw/zinc/65/16/67/557651667.db2.gz RNQGULCZIHCLMY-KHAGQWAKSA-N 0 2 415.346 4.332 50 30 HIEALN C/C(CC(C)C)=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000005408121 557651670 /nfs/dbraw/zinc/65/16/70/557651670.db2.gz RNQGULCZIHCLMY-KHAGQWAKSA-N 0 2 415.346 4.332 50 30 HIEALN COc1cccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)c1 ZINC000101613760 559147480 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Cc1csc([C@H](C#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)n1 ZINC000006648650 569080898 /nfs/dbraw/zinc/08/08/98/569080898.db2.gz CGNPWGWRRQZSSL-GFCCVEGCSA-N 0 2 405.505 4.154 50 30 HIEALN Cc1ccc(NN=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(C)c1 ZINC000252461280 569286701 /nfs/dbraw/zinc/28/67/01/569286701.db2.gz LTXPGCSTSMOQFU-UHFFFAOYSA-N 0 2 413.437 4.431 50 30 HIEALN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000001709714 569356761 /nfs/dbraw/zinc/35/67/61/569356761.db2.gz PBJXQBWHPFNLPH-UHFFFAOYSA-N 0 2 411.439 4.160 50 30 HIEALN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c(C)c1 ZINC000008654658 571098817 /nfs/dbraw/zinc/09/88/17/571098817.db2.gz OMZNYQYYUHKPGL-OAHLLOKOSA-N 0 2 404.495 4.045 50 30 HIEALN C=CCn1cc(-c2ccccc2)nc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000016512487 571304397 /nfs/dbraw/zinc/30/43/97/571304397.db2.gz DLVFUCCZTCNSOT-UHFFFAOYSA-N 0 2 418.316 4.299 50 30 HIEALN C=CCCOc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[nH]2)c1 ZINC000034765848 518710300 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HIEALN CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)C1=NNc1cc(C)ccc1C ZINC000004505747 558616651 /nfs/dbraw/zinc/61/66/51/558616651.db2.gz GEGSMCFNIPNTTI-CLCOLTQESA-N 0 2 405.483 4.323 50 30 HIEALN CCOc1ccc(/N=C2\SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 ZINC000004680851 558894271 /nfs/dbraw/zinc/89/42/71/558894271.db2.gz NYWFBWWPIBNWTC-DVCONVQISA-N 0 2 417.918 4.329 50 30 HIEALN Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000003165554 568858957 /nfs/dbraw/zinc/85/89/57/568858957.db2.gz ZZHCSJGYHLEYRM-UHFFFAOYSA-N 0 2 411.527 4.162 50 30 HIEALN N#Cc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)c1 ZINC000064920724 569121319 /nfs/dbraw/zinc/12/13/19/569121319.db2.gz YEDSPCRPQBIOKR-UHFFFAOYSA-N 0 2 400.485 4.128 50 30 HIEALN N#Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000065009806 569153410 /nfs/dbraw/zinc/15/34/10/569153410.db2.gz HNMKIFLOYFSDCD-UHFFFAOYSA-N 0 2 400.485 4.128 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000252601755 569296900 /nfs/dbraw/zinc/29/69/00/569296900.db2.gz FCQYTTVNKBZVPE-AWEZNQCLSA-N 0 2 424.404 4.479 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S1)c1ccco1 ZINC000252601755 569296902 /nfs/dbraw/zinc/29/69/02/569296902.db2.gz FCQYTTVNKBZVPE-AWEZNQCLSA-N 0 2 424.404 4.479 50 30 HIEALN CC(=NN=C1NC(=O)C(CC(=O)Nc2ccccc2C#N)S1)c1ccc(C)cc1 ZINC000252613753 569300906 /nfs/dbraw/zinc/30/09/06/569300906.db2.gz JDTJMZXIUASJEM-SFHVURJKSA-N 0 2 405.483 4.047 50 30 HIEALN CC(=NN=C1NC(=O)[C@H](CC(=O)Nc2ccccc2C#N)S1)c1ccc(C)cc1 ZINC000252613753 569300908 /nfs/dbraw/zinc/30/09/08/569300908.db2.gz JDTJMZXIUASJEM-SFHVURJKSA-N 0 2 405.483 4.047 50 30 HIEALN COCCN1C(=O)C(=O)C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045113 557629263 /nfs/dbraw/zinc/62/92/63/557629263.db2.gz KEGXGXWSTOSVFD-MRXNPFEDSA-N 0 2 410.253 4.120 50 30 HIEALN Oc1c(Br)cc(Cl)cc1C=NNc1nnc2c3ccccc3[nH]c2n1 ZINC000015015469 558701592 /nfs/dbraw/zinc/70/15/92/558701592.db2.gz ZPUJUGMUEPLVRW-FBCYGCLPSA-N 0 2 417.654 4.074 50 30 HIEALN Oc1c(Br)cc(Cl)cc1C=N[N-]c1nc2nc3ccccc3c-2[nH][nH+]1 ZINC000015015469 558701598 /nfs/dbraw/zinc/70/15/98/558701598.db2.gz ZPUJUGMUEPLVRW-FBCYGCLPSA-N 0 2 417.654 4.074 50 30 HIEALN COc1ccccc1/N=C1\SC(CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000068766833 558864889 /nfs/dbraw/zinc/86/48/89/558864889.db2.gz HYGQMCZVYNMPKE-MAVBTGMRSA-N 0 2 411.527 4.409 50 30 HIEALN COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccc(C(C)C)cc2)C(=O)N1C ZINC000068766833 558864893 /nfs/dbraw/zinc/86/48/93/558864893.db2.gz HYGQMCZVYNMPKE-MAVBTGMRSA-N 0 2 411.527 4.409 50 30 HIEALN CCOc1ccc(/N=C2/S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000100253459 559133405 /nfs/dbraw/zinc/13/34/05/559133405.db2.gz MVMKYQJCWHMCJW-UMWYYCSLSA-N 0 2 413.455 4.323 50 30 HIEALN CCCOc1ccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000101613772 559147505 /nfs/dbraw/zinc/14/75/05/559147505.db2.gz ZKMVLBIDIJIPKC-JQBIEYAESA-N 0 2 415.490 4.205 50 30 HIEALN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(F)cc3)N(C)C2=O)cc1 ZINC000101613772 559147507 /nfs/dbraw/zinc/14/75/07/559147507.db2.gz ZKMVLBIDIJIPKC-JQBIEYAESA-N 0 2 415.490 4.205 50 30 HIEALN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662061 559147563 /nfs/dbraw/zinc/14/75/63/559147563.db2.gz BSMNRKJALJWQMA-OLRQPGBRSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662061 559147564 /nfs/dbraw/zinc/14/75/64/559147564.db2.gz BSMNRKJALJWQMA-OLRQPGBRSA-N 0 2 417.918 4.247 50 30 HIEALN CCCC/N=C1\SC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CCCC ZINC000102406436 559150159 /nfs/dbraw/zinc/15/01/59/559150159.db2.gz GYDQKXUJCVXJRS-ZREAOVPFSA-N 0 2 405.564 4.314 50 30 HIEALN CCCC/N=C1\S[C@@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CCCC ZINC000102406436 559150161 /nfs/dbraw/zinc/15/01/61/559150161.db2.gz GYDQKXUJCVXJRS-ZREAOVPFSA-N 0 2 405.564 4.314 50 30 HIEALN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238319 560548861 /nfs/dbraw/zinc/54/88/61/560548861.db2.gz FUDRUXZGRQCMQT-OAHLLOKOSA-N 0 2 418.522 4.299 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571130429 /nfs/dbraw/zinc/13/04/29/571130429.db2.gz FOBJRWOHUMBYHN-UHFFFAOYSA-N 0 2 420.256 4.368 50 30 HIEALN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N=Nc1c(C)[nH][nH]c1=O ZINC000008872866 571130431 /nfs/dbraw/zinc/13/04/31/571130431.db2.gz FOBJRWOHUMBYHN-UHFFFAOYSA-N 0 2 420.256 4.368 50 30 HIEALN CCOc1ccc(/N=C2/SC(CC(=O)Nc3cccc(Cl)c3)C(=O)N2C)cc1 ZINC000059254521 520859453 /nfs/dbraw/zinc/85/94/53/520859453.db2.gz NYWFBWWPIBNWTC-OLRQPGBRSA-N 0 2 417.918 4.329 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)CC1S/C(=N\c2ccc(F)cc2)N(C)C1=O ZINC000000986804 524743932 /nfs/dbraw/zinc/74/39/32/524743932.db2.gz SZUHKPSXUYBMID-BWORXHKJSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O ZINC000000986804 524743947 /nfs/dbraw/zinc/74/39/47/524743947.db2.gz SZUHKPSXUYBMID-BWORXHKJSA-N 0 2 405.882 4.378 50 30 HIEALN N#CC(C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 ZINC000026019321 526491066 /nfs/dbraw/zinc/49/10/66/526491066.db2.gz JEGORGHZRPKVBB-ZDUSSCGKSA-N 0 2 408.464 4.422 50 30 HIEALN N#C[C@@H](C(=O)CSc1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 ZINC000026019321 526491077 /nfs/dbraw/zinc/49/10/77/526491077.db2.gz JEGORGHZRPKVBB-ZDUSSCGKSA-N 0 2 408.464 4.422 50 30 HIEALN Cc1cccc(NC(=O)CC2S/C(=N\N=C3CCCCCCC3)NC2=O)c1C ZINC000006504454 557705848 /nfs/dbraw/zinc/70/58/48/557705848.db2.gz DTQVGVHKFFNMNL-GOSISDBHSA-N 0 2 400.548 4.320 50 30 HIEALN Cc1cccc(NC(=O)C[C@H]2S/C(=N\N=C3CCCCCCC3)NC2=O)c1C ZINC000006504454 557705852 /nfs/dbraw/zinc/70/58/52/557705852.db2.gz DTQVGVHKFFNMNL-GOSISDBHSA-N 0 2 400.548 4.320 50 30 HIEALN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009019387 557819932 /nfs/dbraw/zinc/81/99/32/557819932.db2.gz PJZMUDBCLLSIAF-SFHVURJKSA-N 0 2 421.371 4.212 50 30 HIEALN Cc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3F)C(=O)N2C)cc1Cl ZINC000020395245 558359820 /nfs/dbraw/zinc/35/98/20/558359820.db2.gz XSYXDSYDRIJTQJ-BWORXHKJSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2C)cc1Cl ZINC000020395245 558359822 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BNALVGMWEZEOLQ-BFQBXFRASA-N 0 2 424.551 4.160 50 30 HIEALN CCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000004682472 558894528 /nfs/dbraw/zinc/89/45/28/558894528.db2.gz SPCXOIYFLUBDAL-GOTYSUTNSA-N 0 2 415.946 4.040 50 30 HIEALN CCNC(=O)CC1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000004682472 558894529 /nfs/dbraw/zinc/89/45/29/558894529.db2.gz SPCXOIYFLUBDAL-GOTYSUTNSA-N 0 2 415.946 4.040 50 30 HIEALN Cc1ccc(/N=C2/SC(CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000101662187 559147574 /nfs/dbraw/zinc/14/75/74/559147574.db2.gz SVBPDZHBSAHCQX-CULCSUMMSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)cc1Cl ZINC000101662187 559147576 /nfs/dbraw/zinc/14/75/76/559147576.db2.gz SVBPDZHBSAHCQX-CULCSUMMSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C ZINC000005238240 560548337 /nfs/dbraw/zinc/54/83/37/560548337.db2.gz JXAKWVJAIKVLEF-OAHLLOKOSA-N 0 2 404.495 4.045 50 30 HIEALN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 ZINC000005238242 560548624 /nfs/dbraw/zinc/54/86/24/560548624.db2.gz QCGIUQMCDRVHGP-OAHLLOKOSA-N 0 2 404.495 4.045 50 30 HIEALN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C#N)cc1 ZINC000005238323 560548785 /nfs/dbraw/zinc/54/87/85/560548785.db2.gz XXUSBFSNIUNWRF-INIZCTEOSA-N 0 2 418.522 4.353 50 30 HIEALN O=c1c(C=[NH+]C[C@@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000018028589 560772076 /nfs/dbraw/zinc/77/20/76/560772076.db2.gz NJCCJXFZGQSHMD-YQCVNYCESA-N 0 2 404.495 4.453 50 30 HIEALN Cc1cccc(N2C(=O)NC(=O)C(=CNc3sc4c(c3C#N)CCCC4)C2=O)c1 ZINC000101530245 560797051 /nfs/dbraw/zinc/79/70/51/560797051.db2.gz SVKJXQICIMWACL-LFIBNONCSA-N 0 2 406.467 4.226 50 30 HIEALN CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000000805810 568487236 /nfs/dbraw/zinc/48/72/36/568487236.db2.gz INTPDHWXOMFHRY-OEAKJJBVSA-N 0 2 401.426 4.432 50 30 HIEALN CCOC(=O)c1sc(N=CC2C(C)=NN(c3ccc(C)cc3C)C2=O)c(C#N)c1C ZINC000101350291 568940894 /nfs/dbraw/zinc/94/08/94/568940894.db2.gz IGOTXEVYQJHYML-BOPFTXTBSA-N 0 2 422.510 4.440 50 30 HIEALN Cc1csc(C(C#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)n1 ZINC000006648646 569080889 /nfs/dbraw/zinc/08/08/89/569080889.db2.gz CGNPWGWRRQZSSL-LBPRGKRZSA-N 0 2 405.505 4.154 50 30 HIEALN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Nc3cccc(F)c3)s2)n1 ZINC000006648646 569080891 /nfs/dbraw/zinc/08/08/91/569080891.db2.gz CGNPWGWRRQZSSL-LBPRGKRZSA-N 0 2 405.505 4.154 50 30 HIEALN CCOc1ccc(NC(=O)CC2SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1 ZINC000252629505 569311527 /nfs/dbraw/zinc/31/15/27/569311527.db2.gz UHRNKOCDBQFNOA-LJQANCHMSA-N 0 2 411.527 4.292 50 30 HIEALN CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)C(CC(=O)c3ccc(F)cc3)S1)C2 ZINC000254559798 854212770 /nfs/dbraw/zinc/21/27/70/854212770.db2.gz IQUGJIVYYGPFAC-CQURBHOASA-N 0 2 401.507 4.188 50 30 HIEALN CCOC(=O)/C(=N/Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002905270 557425391 /nfs/dbraw/zinc/42/53/91/557425391.db2.gz OGKUXVLTZAEYFA-PGMHBOJBSA-N 0 2 415.298 4.064 50 30 HIEALN CCc1ccc(NC(=O)CC2S/C(=N\N=C(/C)C3CCCCC3)NC2=O)cc1 ZINC000006995664 557732227 /nfs/dbraw/zinc/73/22/27/557732227.db2.gz FSQXXBMEMRKDKW-MAKCPWPFSA-N 0 2 400.548 4.121 50 30 HIEALN CCc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C(/C)C3CCCCC3)NC2=O)cc1 ZINC000006995664 557732228 /nfs/dbraw/zinc/73/22/28/557732228.db2.gz FSQXXBMEMRKDKW-MAKCPWPFSA-N 0 2 400.548 4.121 50 30 HIEALN COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009019386 557819941 /nfs/dbraw/zinc/81/99/41/557819941.db2.gz PJZMUDBCLLSIAF-GOSISDBHSA-N 0 2 421.371 4.212 50 30 HIEALN CC1=NN(c2ncc(-c3ccccc3O)s2)C(=O)C1=NNc1cccc(C)c1C ZINC000013943645 558605392 /nfs/dbraw/zinc/60/53/92/558605392.db2.gz GZGKLGZNXMLCLM-CLCOLTQESA-N 0 2 405.483 4.323 50 30 HIEALN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000005238314 560548878 /nfs/dbraw/zinc/54/88/78/560548878.db2.gz PMNXMTHOHGARME-OAHLLOKOSA-N 0 2 404.495 4.045 50 30 HIEALN CCOC(=O)c1sc(N=CC2C(C)=NN(c3ccc(C)cc3C)C2=O)c(C#N)c1C ZINC000101114467 560786894 /nfs/dbraw/zinc/78/68/94/560786894.db2.gz IGOTXEVYQJHYML-GZTJUZNOSA-N 0 2 422.510 4.440 50 30 HIEALN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000103167370 560839790 /nfs/dbraw/zinc/83/97/90/560839790.db2.gz AYXHHTXSFZZGFF-UWVGGRQHSA-N 0 2 422.247 4.120 50 30 HIEALN COc1ccc(-c2csc(N3N=C(C)C(=NNc4ccc(C)cc4)C3=O)n2)cc1 ZINC000100507574 560850308 /nfs/dbraw/zinc/85/03/08/560850308.db2.gz CMLIKBYTNLVJKO-LYBHJNIJSA-N 0 2 405.483 4.318 50 30 HIEALN COc1cc(-c2nc3ccccn3c2N=Cc2cccc([N+](=O)[O-])c2O)ccc1O ZINC000252626683 569310600 /nfs/dbraw/zinc/31/06/00/569310600.db2.gz RDNIMCRFFFXAKI-UHFFFAOYSA-N 0 2 404.382 4.080 50 30 HIEALN Cc1c(Cl)cccc1N=C1SC(CC(=O)Nc2ccccc2F)C(=O)N1C ZINC000252642907 569318815 /nfs/dbraw/zinc/31/88/15/569318815.db2.gz ZQTZFCWQXLUNMU-MRXNPFEDSA-N 0 2 405.882 4.378 50 30 HIEALN Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C ZINC000252642907 569318816 /nfs/dbraw/zinc/31/88/16/569318816.db2.gz ZQTZFCWQXLUNMU-MRXNPFEDSA-N 0 2 405.882 4.378 50 30 HIEALN COc1ccccc1NC(=O)CC1SC(=NN=C(C)C2CCCCC2)NC1=O ZINC000006682046 557714957 /nfs/dbraw/zinc/71/49/57/557714957.db2.gz LXSATWBZQNSYNK-YXUUZYBBSA-N 0 2 402.520 4.408 50 30 HIEALN COc1ccccc1NC(=O)C[C@H]1SC(=NN=C(C)C2CCCCC2)NC1=O ZINC000006682046 557714961 /nfs/dbraw/zinc/71/49/61/557714961.db2.gz LXSATWBZQNSYNK-YXUUZYBBSA-N 0 2 402.520 4.408 50 30 HIEALN CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1O ZINC000005801167 557800149 /nfs/dbraw/zinc/80/01/49/557800149.db2.gz NFEVHCPQFZFGEF-YDZHTSKRSA-N 0 2 418.409 4.470 50 30 HIEALN Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH+]c[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008715658 557801239 /nfs/dbraw/zinc/80/12/39/557801239.db2.gz MXMYZLUFUVDVGX-FQEVSTJZSA-N 0 2 421.884 4.193 50 30 HIEALN Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH]c[nH+]3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008715658 557801241 /nfs/dbraw/zinc/80/12/41/557801241.db2.gz MXMYZLUFUVDVGX-FQEVSTJZSA-N 0 2 421.884 4.193 50 30 HIEALN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)c3ccc(Cl)cc3)cc2[nH]c1=S ZINC000010918970 558562857 /nfs/dbraw/zinc/56/28/57/558562857.db2.gz FDRZWKLRDZYZPZ-KRWDZBQOSA-N 0 2 413.930 4.406 50 30 HIEALN O=C(C[C@@H]1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 ZINC000004537258 558656787 /nfs/dbraw/zinc/65/67/87/558656787.db2.gz STNWWFDJELGPNZ-NRFANRHFSA-N 0 2 411.486 4.280 50 30 HIEALN O=C(CC1SC(=NN=C2c3ccccc3-c3ccccc32)NC1=O)c1ccccc1 ZINC000004537258 558656789 /nfs/dbraw/zinc/65/67/89/558656789.db2.gz STNWWFDJELGPNZ-NRFANRHFSA-N 0 2 411.486 4.280 50 30 HIEALN Cc1ccccc1NC(=O)CC1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000004616638 558862804 /nfs/dbraw/zinc/86/28/04/558862804.db2.gz HYGFSDTUAZECMX-MLVIZHJXSA-N 0 2 410.524 4.195 50 30 HIEALN Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2nc3ccccc3s2)N(C)C1=O ZINC000004616638 558862806 /nfs/dbraw/zinc/86/28/06/558862806.db2.gz HYGFSDTUAZECMX-MLVIZHJXSA-N 0 2 410.524 4.195 50 30 HIEALN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000004699834 558907586 /nfs/dbraw/zinc/90/75/86/558907586.db2.gz BSMNRKJALJWQMA-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000004699834 558907588 /nfs/dbraw/zinc/90/75/88/558907588.db2.gz BSMNRKJALJWQMA-HLGQQVFSSA-N 0 2 417.918 4.247 50 30 HIEALN Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 ZINC000013042438 560791604 /nfs/dbraw/zinc/79/16/04/560791604.db2.gz OBNMNHYVCZFOEN-OAHLLOKOSA-N 0 2 407.417 4.262 50 30 HIEALN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C(F)(F)F)NC2=O)cc1 ZINC000013042438 560791606 /nfs/dbraw/zinc/79/16/06/560791606.db2.gz OBNMNHYVCZFOEN-OAHLLOKOSA-N 0 2 407.417 4.262 50 30 HIEALN CCOc1ccc(N=C2S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000252621221 569307653 /nfs/dbraw/zinc/30/76/53/569307653.db2.gz MVMKYQJCWHMCJW-JEESXGFFSA-N 0 2 413.455 4.323 50 30 HIEALN