smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004413845 181108117 /nfs/dbraw/zinc/10/81/17/181108117.db2.gz OWGXEDGDZFDVML-UHFFFAOYSA-N 0 0 306.390 5.014 20 30 DKEDRN C[C@H](Nc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl ZINC000037071321 337363021 /nfs/dbraw/zinc/36/30/21/337363021.db2.gz HHNNLYFPNGQQMK-NSHDSACASA-N 0 0 305.208 5.233 20 30 DKEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1cc(Cl)ccc1Cl ZINC000037071322 337363033 /nfs/dbraw/zinc/36/30/33/337363033.db2.gz HHNNLYFPNGQQMK-LLVKDONJSA-N 0 0 305.208 5.233 20 30 DKEDRN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037071369 337363056 /nfs/dbraw/zinc/36/30/56/337363056.db2.gz USYWEXVIFSKPGW-NSHDSACASA-N 0 0 305.208 5.233 20 30 DKEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037071370 337362992 /nfs/dbraw/zinc/36/29/92/337362992.db2.gz USYWEXVIFSKPGW-LLVKDONJSA-N 0 0 305.208 5.233 20 30 DKEDRN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000037071473 337363060 /nfs/dbraw/zinc/36/30/60/337363060.db2.gz YHABTAIVRYTOPD-NSHDSACASA-N 0 0 305.208 5.233 20 30 DKEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl ZINC000037071474 337363076 /nfs/dbraw/zinc/36/30/76/337363076.db2.gz YHABTAIVRYTOPD-LLVKDONJSA-N 0 0 305.208 5.233 20 30 DKEDRN N#Cc1c(F)cccc1NC(c1cccs1)c1cccs1 ZINC000037268927 182877417 /nfs/dbraw/zinc/87/74/17/182877417.db2.gz HWGPVPBSDFTGFI-UHFFFAOYSA-N 0 0 314.410 5.022 20 30 DKEDRN C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)s1 ZINC000037777480 331585551 /nfs/dbraw/zinc/58/55/51/331585551.db2.gz OQYDCLAHMIAENQ-LBPRGKRZSA-N 0 0 320.845 5.257 20 30 DKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(CC#N)c1 ZINC000042195070 336237114 /nfs/dbraw/zinc/23/71/14/336237114.db2.gz YZYWUIAOMZGWHH-UHFFFAOYSA-N 0 0 320.436 5.252 20 30 DKEDRN C=CCCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000060364713 184147323 /nfs/dbraw/zinc/14/73/23/184147323.db2.gz QLTUXAMCZCKOPV-UHFFFAOYSA-N 0 0 301.773 5.037 20 30 DKEDRN Cc1ccc(C[C@H](C#N)Sc2cc(C)c3ccccc3n2)cc1 ZINC000060697462 184154301 /nfs/dbraw/zinc/15/43/01/184154301.db2.gz UNTMGVLCZRXTKI-QGZVFWFLSA-N 0 0 318.445 5.079 20 30 DKEDRN Cc1ccc(C[C@@H](C#N)Sc2cc(C)c3ccccc3n2)cc1 ZINC000071798034 341048230 /nfs/dbraw/zinc/04/82/30/341048230.db2.gz UNTMGVLCZRXTKI-KRWDZBQOSA-N 0 0 318.445 5.079 20 30 DKEDRN Cc1ccccc1[C@H](Sc1cc(C#N)ccn1)c1ccccc1 ZINC000071918222 184905295 /nfs/dbraw/zinc/90/52/95/184905295.db2.gz JOGGGYYKMDBRMB-HXUWFJFHSA-N 0 0 316.429 5.143 20 30 DKEDRN N#Cc1ccnc(SCc2sc3ccccc3c2Cl)c1 ZINC000071918547 184905394 /nfs/dbraw/zinc/90/53/94/184905394.db2.gz KWLNXKVOEDFJGD-UHFFFAOYSA-N 0 0 316.838 5.114 20 30 DKEDRN C=CCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000072080051 191035253 /nfs/dbraw/zinc/03/52/53/191035253.db2.gz GIIHCGQKCMPTIG-UHFFFAOYSA-N 0 0 322.433 5.176 20 30 DKEDRN Cc1nc(-c2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2)cs1 ZINC000074336699 341144141 /nfs/dbraw/zinc/14/41/41/341144141.db2.gz CKSNIMVHVUASOG-ZDUSSCGKSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2)cs1 ZINC000074336704 341144158 /nfs/dbraw/zinc/14/41/58/341144158.db2.gz CKSNIMVHVUASOG-CYBMUJFWSA-N 0 0 319.433 5.163 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000077178843 341220066 /nfs/dbraw/zinc/22/00/66/341220066.db2.gz SUWYHRBDIMUHPG-UHFFFAOYSA-N 0 0 302.462 5.363 20 30 DKEDRN N#Cc1cnc(Oc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000078727377 341246805 /nfs/dbraw/zinc/24/68/05/341246805.db2.gz NUPSVNDGUHXZEM-UHFFFAOYSA-N 0 0 306.752 5.066 20 30 DKEDRN N#Cc1cnc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 ZINC000078727396 341246786 /nfs/dbraw/zinc/24/67/86/341246786.db2.gz OZURKAAQKYCBCU-UHFFFAOYSA-N 0 0 315.159 5.206 20 30 DKEDRN COc1ccc2cc([C@H](C)Nc3ccc(CC#N)cc3)ccc2c1 ZINC000078991393 341251517 /nfs/dbraw/zinc/25/15/17/341251517.db2.gz DTZKOFRQWAVYDS-HNNXBMFYSA-N 0 0 316.404 5.088 20 30 DKEDRN COc1ccc2cc([C@@H](C)Nc3ccc(CC#N)cc3)ccc2c1 ZINC000078991396 341251478 /nfs/dbraw/zinc/25/14/78/341251478.db2.gz DTZKOFRQWAVYDS-OAHLLOKOSA-N 0 0 316.404 5.088 20 30 DKEDRN CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000079724172 341264520 /nfs/dbraw/zinc/26/45/20/341264520.db2.gz GLRHAJSNXXIGCT-IBGZPJMESA-N 0 0 312.388 5.071 20 30 DKEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000079724174 341264553 /nfs/dbraw/zinc/26/45/53/341264553.db2.gz GLRHAJSNXXIGCT-LJQANCHMSA-N 0 0 312.388 5.071 20 30 DKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C#N)cs1 ZINC000084058051 192397287 /nfs/dbraw/zinc/39/72/87/192397287.db2.gz IELNSWUUTWKBQI-UHFFFAOYSA-N 0 0 312.438 5.119 20 30 DKEDRN C[C@H](S[C@@H](C)c1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 ZINC000085228665 338007666 /nfs/dbraw/zinc/00/76/66/338007666.db2.gz ARVLLHACOQACMB-STQMWFEESA-N 0 0 314.454 5.399 20 30 DKEDRN C[C@@H](S[C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(C#N)cc1 ZINC000085228667 338007766 /nfs/dbraw/zinc/00/77/66/338007766.db2.gz ARVLLHACOQACMB-OLZOCXBDSA-N 0 0 314.454 5.399 20 30 DKEDRN C[C@@H](S[C@@H](C)c1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 ZINC000085228669 338007701 /nfs/dbraw/zinc/00/77/01/338007701.db2.gz ARVLLHACOQACMB-QWHCGFSZSA-N 0 0 314.454 5.399 20 30 DKEDRN C[C@@H](S[C@H](C)c1ccc(C#N)cc1)c1ncc(C(C)(C)C)o1 ZINC000085228671 338007790 /nfs/dbraw/zinc/00/77/90/338007790.db2.gz ARVLLHACOQACMB-CHWSQXEVSA-N 0 0 314.454 5.399 20 30 DKEDRN CC(C)(C#N)CCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000087597264 331706213 /nfs/dbraw/zinc/70/62/13/331706213.db2.gz HOWOVKCDROXXCU-UHFFFAOYSA-N 0 0 304.743 5.101 20 30 DKEDRN C[C@@H](Nc1ccccc1CCC(F)(F)F)c1ccc(C#N)cc1 ZINC000089099324 341402441 /nfs/dbraw/zinc/40/24/41/341402441.db2.gz RTCYDSFOVBQSQW-CYBMUJFWSA-N 0 0 318.342 5.226 20 30 DKEDRN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1F ZINC000090665045 337883849 /nfs/dbraw/zinc/88/38/49/337883849.db2.gz WYROQJWSMBVVCE-OALUTQOASA-N 0 0 314.379 5.051 20 30 DKEDRN C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1Cl ZINC000090665435 337883853 /nfs/dbraw/zinc/88/38/53/337883853.db2.gz XHURBAOTQHWREO-SCLBCKFNSA-N 0 0 316.807 5.175 20 30 DKEDRN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1Cl ZINC000090665436 337883822 /nfs/dbraw/zinc/88/38/22/337883822.db2.gz XHURBAOTQHWREO-FZKQIMNGSA-N 0 0 316.807 5.175 20 30 DKEDRN CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665875 337884112 /nfs/dbraw/zinc/88/41/12/337884112.db2.gz JCJCEUFYBBAZJN-OALUTQOASA-N 0 0 314.379 5.051 20 30 DKEDRN CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(F)cc1F ZINC000090665878 337884065 /nfs/dbraw/zinc/88/40/65/337884065.db2.gz JCJCEUFYBBAZJN-RTBURBONSA-N 0 0 314.379 5.051 20 30 DKEDRN N#Cc1csc(CNc2ccccc2SC2CCCC2)c1 ZINC000093686854 335654985 /nfs/dbraw/zinc/65/49/85/335654985.db2.gz IYGDNMOSKHNIFC-UHFFFAOYSA-N 0 0 314.479 5.267 20 30 DKEDRN C[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(Cl)c1 ZINC000097465034 335861993 /nfs/dbraw/zinc/86/19/93/335861993.db2.gz JXMLBHCVAUMCQJ-AWEZNQCLSA-N 0 0 314.816 5.196 20 30 DKEDRN C=CCCC(=O)N(c1nc2ccccc2s1)c1ccccc1C ZINC000102216094 334710295 /nfs/dbraw/zinc/71/02/95/334710295.db2.gz MXRFLJXHSCWLRZ-UHFFFAOYSA-N 0 0 322.433 5.236 20 30 DKEDRN C=C(C)CN(CC)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000104971488 336273031 /nfs/dbraw/zinc/27/30/31/336273031.db2.gz FRNUKOYDNYWSIF-UHFFFAOYSA-N 0 0 302.462 5.363 20 30 DKEDRN N#CCCSc1ccccc1NCc1c(F)cccc1Cl ZINC000108352813 337835583 /nfs/dbraw/zinc/83/55/83/337835583.db2.gz UXRCGLTUQSEZIK-UHFFFAOYSA-N 0 0 320.820 5.097 20 30 DKEDRN C[C@H](Sc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000108964823 331494180 /nfs/dbraw/zinc/49/41/80/331494180.db2.gz PYZPPSXYYJUWNA-NSHDSACASA-N 0 0 305.349 5.013 20 30 DKEDRN C[C@@H](Sc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000108964825 331494295 /nfs/dbraw/zinc/49/42/95/331494295.db2.gz PYZPPSXYYJUWNA-LLVKDONJSA-N 0 0 305.349 5.013 20 30 DKEDRN N#CCC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000130606983 341032104 /nfs/dbraw/zinc/03/21/04/341032104.db2.gz NTDIKKCZIHYROD-QGZVFWFLSA-N 0 0 319.235 5.128 20 30 DKEDRN N#CCC[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000130607205 341032121 /nfs/dbraw/zinc/03/21/21/341032121.db2.gz NTDIKKCZIHYROD-KRWDZBQOSA-N 0 0 319.235 5.128 20 30 DKEDRN N#CCC[C@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000130608271 341032090 /nfs/dbraw/zinc/03/20/90/341032090.db2.gz CGQHTYAUWVDFNU-FQEVSTJZSA-N 0 0 316.404 5.081 20 30 DKEDRN N#CCC[C@@H](NCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000130608486 341032202 /nfs/dbraw/zinc/03/22/02/341032202.db2.gz CGQHTYAUWVDFNU-HXUWFJFHSA-N 0 0 316.404 5.081 20 30 DKEDRN C[C@H](Nc1cccc(CCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000132900383 341148887 /nfs/dbraw/zinc/14/88/87/341148887.db2.gz ZJYKMUMMRANHCR-ZDUSSCGKSA-N 0 0 318.342 5.226 20 30 DKEDRN C[C@@H](Nc1cccc(CCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000132900605 341148947 /nfs/dbraw/zinc/14/89/47/341148947.db2.gz ZJYKMUMMRANHCR-CYBMUJFWSA-N 0 0 318.342 5.226 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000135275334 341235143 /nfs/dbraw/zinc/23/51/43/341235143.db2.gz ZZFMWEOUHJACJH-PKOBYXMFSA-N 0 0 323.436 5.083 20 30 DKEDRN C=C[C@H](CC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000135275358 341235098 /nfs/dbraw/zinc/23/50/98/341235098.db2.gz ZZFMWEOUHJACJH-IEBWSBKVSA-N 0 0 323.436 5.083 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCCCC[C@H]1c1ccco1)c1ccccc1 ZINC000135275377 341235124 /nfs/dbraw/zinc/23/51/24/341235124.db2.gz ZZFMWEOUHJACJH-HKUYNNGSSA-N 0 0 323.436 5.083 20 30 DKEDRN C=C[C@H](CC(=O)N1CCCCC[C@H]1c1ccco1)c1ccccc1 ZINC000135275398 341235156 /nfs/dbraw/zinc/23/51/56/341235156.db2.gz ZZFMWEOUHJACJH-MJGOQNOKSA-N 0 0 323.436 5.083 20 30 DKEDRN CC(C)(CCC#N)CNc1ccc(COCc2ccccc2)cc1 ZINC000151072067 332505606 /nfs/dbraw/zinc/50/56/06/332505606.db2.gz NGAZEPRNAHXFDD-UHFFFAOYSA-N 0 0 322.452 5.145 20 30 DKEDRN C[C@@H](CC#N)Sc1ccccc1NCCCCC(F)(F)F ZINC000151924692 332691341 /nfs/dbraw/zinc/69/13/41/332691341.db2.gz MPHBVOPCGDJHOL-LBPRGKRZSA-N 0 0 316.392 5.225 20 30 DKEDRN CC(C)(C#N)CCCNc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000153889208 341580746 /nfs/dbraw/zinc/58/07/46/341580746.db2.gz ZCKTWZNRNHJQLS-UHFFFAOYSA-N 0 0 319.408 5.092 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1C)c1ccccc1 ZINC000156541813 341622637 /nfs/dbraw/zinc/62/26/37/341622637.db2.gz FPLKBMPTVNCJEW-RXVVDRJESA-N 0 0 319.448 5.018 20 30 DKEDRN CC(C)(CCC#N)CNc1ccc(SC2CCCC2)cc1 ZINC000157456845 334937700 /nfs/dbraw/zinc/93/77/00/334937700.db2.gz DKXNQSVQGOAVJJ-UHFFFAOYSA-N 0 0 302.487 5.463 20 30 DKEDRN N#Cc1ccc(CNc2ccc(SC3CCCC3)cc2)s1 ZINC000157457033 334937724 /nfs/dbraw/zinc/93/77/24/334937724.db2.gz SJUMJENEAWJLNU-UHFFFAOYSA-N 0 0 314.479 5.267 20 30 DKEDRN N#CCCCCSc1nnc(-c2ccccc2)c2ccccc21 ZINC000159991759 332743796 /nfs/dbraw/zinc/74/37/96/332743796.db2.gz ORNCTMOAXQFSTH-UHFFFAOYSA-N 0 0 319.433 5.083 20 30 DKEDRN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3ccc(C#N)cc3)c2)n1 ZINC000160033453 332748990 /nfs/dbraw/zinc/74/89/90/332748990.db2.gz OFXQMNCTKBDDGC-HNNXBMFYSA-N 0 0 317.392 5.003 20 30 DKEDRN Cc1coc(-c2ccc(C)c(N[C@H](C)c3ccc(C#N)cc3)c2)n1 ZINC000160033582 332749125 /nfs/dbraw/zinc/74/91/25/332749125.db2.gz OFXQMNCTKBDDGC-OAHLLOKOSA-N 0 0 317.392 5.003 20 30 DKEDRN Cc1oc(-c2cccs2)nc1CSCCCC(C)(C)C#N ZINC000161193892 335868265 /nfs/dbraw/zinc/86/82/65/335868265.db2.gz GAUJIOLPLYSMLX-UHFFFAOYSA-N 0 0 320.483 5.275 20 30 DKEDRN Cc1oc(-c2ccccc2)nc1CSCCCC(C)(C)C#N ZINC000161343010 337580503 /nfs/dbraw/zinc/58/05/03/337580503.db2.gz WOTYINWPNLWBMY-UHFFFAOYSA-N 0 0 314.454 5.213 20 30 DKEDRN Cc1cc(C#N)ccc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000162390752 338605576 /nfs/dbraw/zinc/60/55/76/338605576.db2.gz AWTZOTJSYACLIY-UHFFFAOYSA-N 0 0 320.436 5.366 20 30 DKEDRN N#Cc1ccccc1SCc1csc(-c2ccsc2)n1 ZINC000173722139 332836216 /nfs/dbraw/zinc/83/62/16/332836216.db2.gz LHLOKLOFVAUCTM-UHFFFAOYSA-N 0 0 314.460 5.036 20 30 DKEDRN CC(C)(C#N)CCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000174812010 340396490 /nfs/dbraw/zinc/39/64/90/340396490.db2.gz XWTGXQBYBPFXJG-UHFFFAOYSA-N 0 0 318.511 5.142 20 30 DKEDRN C[C@@H](Sc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000177099358 332972842 /nfs/dbraw/zinc/97/28/42/332972842.db2.gz GVNGCCRPOWGJLC-CYBMUJFWSA-N 0 0 306.390 5.067 20 30 DKEDRN N#Cc1cccc(SCc2csc(-c3ccsc3)n2)c1 ZINC000177112252 332972157 /nfs/dbraw/zinc/97/21/57/332972157.db2.gz VFKWAKLSZGEWHO-UHFFFAOYSA-N 0 0 314.460 5.036 20 30 DKEDRN CC(C)(C#N)CCCSc1nnc(CCC2CCCCC2)o1 ZINC000177287727 340438823 /nfs/dbraw/zinc/43/88/23/340438823.db2.gz FNNBKEAZANNIEO-UHFFFAOYSA-N 0 0 321.490 5.005 20 30 DKEDRN C=CCCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000177501561 340441092 /nfs/dbraw/zinc/44/10/92/340441092.db2.gz LDZSABRSHDZFKC-UHFFFAOYSA-N 0 0 322.433 5.258 20 30 DKEDRN CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1F ZINC000181082259 333029556 /nfs/dbraw/zinc/02/95/56/333029556.db2.gz YEWBZIWERAGRHR-IBGZPJMESA-N 0 0 312.388 5.071 20 30 DKEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1F ZINC000181082278 333029504 /nfs/dbraw/zinc/02/95/04/333029504.db2.gz YEWBZIWERAGRHR-LJQANCHMSA-N 0 0 312.388 5.071 20 30 DKEDRN Cc1nc(C(F)(F)F)c(CSCCCC(C)(C)C#N)s1 ZINC000184527505 333198027 /nfs/dbraw/zinc/19/80/27/333198027.db2.gz WTSBQMLURNDGIQ-UHFFFAOYSA-N 0 0 322.421 5.034 20 30 DKEDRN C=C[C@H](CC(=O)Nc1c(C)cccc1SC)c1ccccc1 ZINC000184600224 340494240 /nfs/dbraw/zinc/49/42/40/340494240.db2.gz UMRSZILKKMLUNJ-OAHLLOKOSA-N 0 0 311.450 5.015 20 30 DKEDRN N#CCCCCSCc1nc(-c2ccccc2Cl)cs1 ZINC000184904188 340496444 /nfs/dbraw/zinc/49/64/44/340496444.db2.gz AKTVQPIEWMBLDP-UHFFFAOYSA-N 0 0 322.886 5.391 20 30 DKEDRN N#CCCSc1ccccc1NCc1ccc(C(F)F)cc1 ZINC000185620784 340503522 /nfs/dbraw/zinc/50/35/22/340503522.db2.gz ZIUBKBDKSCDGJB-UHFFFAOYSA-N 0 0 318.392 5.242 20 30 DKEDRN C=C(C)[C@@H](N[C@@H](C)c1sccc1OC)c1ccc(F)c(F)c1 ZINC000186449994 340512914 /nfs/dbraw/zinc/51/29/14/340512914.db2.gz XQRCMAYZAUJPPN-MEDUHNTESA-N 0 0 323.408 5.003 20 30 DKEDRN CC[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(F)c1 ZINC000186842613 333379639 /nfs/dbraw/zinc/37/96/39/333379639.db2.gz IZTGDRMMNZPUHC-IBGZPJMESA-N 0 0 312.388 5.071 20 30 DKEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(F)c1 ZINC000186842633 333379608 /nfs/dbraw/zinc/37/96/08/333379608.db2.gz IZTGDRMMNZPUHC-LJQANCHMSA-N 0 0 312.388 5.071 20 30 DKEDRN C=CC[C@H](C(=O)Nc1cc(C(C)C)c(O)cc1C)c1ccccc1 ZINC000187080748 333417296 /nfs/dbraw/zinc/41/72/96/333417296.db2.gz SGICJPJKCBLFAG-KRWDZBQOSA-N 0 0 323.436 5.122 20 30 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ZINC000191388378 333279811 /nfs/dbraw/zinc/27/98/11/333279811.db2.gz JZJNLTXRUDQPOU-SWLSCSKDSA-N 0 0 304.846 5.097 20 30 DKEDRN C[C@@H](N[C@H](CCC#N)c1ccccc1)c1csc(Cl)c1 ZINC000191388390 333279808 /nfs/dbraw/zinc/27/98/08/333279808.db2.gz JZJNLTXRUDQPOU-IUODEOHRSA-N 0 0 304.846 5.097 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1CC ZINC000191414893 340554001 /nfs/dbraw/zinc/55/40/01/340554001.db2.gz SCAJVVCTMQCHDQ-QGZVFWFLSA-N 0 0 314.473 5.335 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1CC ZINC000191414912 340554007 /nfs/dbraw/zinc/55/40/07/340554007.db2.gz SCAJVVCTMQCHDQ-KRWDZBQOSA-N 0 0 314.473 5.335 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(CC(C)C)C1CC1 ZINC000191417206 340554005 /nfs/dbraw/zinc/55/40/05/340554005.db2.gz PYOYXSYXORMADW-UHFFFAOYSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CC)C1 ZINC000191431731 340554167 /nfs/dbraw/zinc/55/41/67/340554167.db2.gz MAYCLJIDJKRIAT-MRXNPFEDSA-N 0 0 314.473 5.192 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(O)c(C)c1 ZINC000191433254 340554138 /nfs/dbraw/zinc/55/41/38/340554138.db2.gz SWYRYBOVCQQZOA-UHFFFAOYSA-N 0 0 324.424 5.197 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccccc1 ZINC000191436865 340554376 /nfs/dbraw/zinc/55/43/76/340554376.db2.gz HTDFYPCSNGXZAP-UHFFFAOYSA-N 0 0 322.452 5.202 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC(C)(C)C1 ZINC000191440293 340554318 /nfs/dbraw/zinc/55/43/18/340554318.db2.gz PVSINYBRWXVQHB-UHFFFAOYSA-N 0 0 314.473 5.192 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000191462108 340554429 /nfs/dbraw/zinc/55/44/29/340554429.db2.gz LKCOWRHUZPPTQA-HOTGVXAUSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000191462129 340554476 /nfs/dbraw/zinc/55/44/76/340554476.db2.gz LKCOWRHUZPPTQA-JKSUJKDBSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000191464922 340554486 /nfs/dbraw/zinc/55/44/86/340554486.db2.gz DRACEWMBUGYDGS-JKSUJKDBSA-N 0 0 314.473 5.048 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccccc1C ZINC000191466649 340554603 /nfs/dbraw/zinc/55/46/03/340554603.db2.gz SCXGODLOCOCMDB-UHFFFAOYSA-N 0 0 308.425 5.491 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000191504849 340555067 /nfs/dbraw/zinc/55/50/67/340555067.db2.gz LZNWYAGSGDMSRN-JKSUJKDBSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000191504862 340555014 /nfs/dbraw/zinc/55/50/14/340555014.db2.gz LZNWYAGSGDMSRN-CVEARBPZSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(CCC)CCC ZINC000191513073 340555015 /nfs/dbraw/zinc/55/50/15/340555015.db2.gz ZOZHHNJBSHVPKR-UHFFFAOYSA-N 0 0 302.462 5.192 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OC)cc1 ZINC000191513526 340555181 /nfs/dbraw/zinc/55/51/81/340555181.db2.gz GBVZELNCYHHQOY-UHFFFAOYSA-N 0 0 324.424 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)[C@@H]1CC ZINC000191518696 340555190 /nfs/dbraw/zinc/55/51/90/340555190.db2.gz WXFZYOCFXNSWCQ-YJBOKZPZSA-N 0 0 314.473 5.191 20 30 DKEDRN CCCc1cccc(C(C)C)c1NC(=O)c1cccc(CC#N)c1 ZINC000191538411 333280734 /nfs/dbraw/zinc/28/07/34/333280734.db2.gz SPIMOQIIDZDKLJ-UHFFFAOYSA-N 0 0 320.436 5.081 20 30 DKEDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C#N)cc1C ZINC000191540073 340555261 /nfs/dbraw/zinc/55/52/61/340555261.db2.gz UPEVIJSDHHNXIS-UHFFFAOYSA-N 0 0 320.436 5.195 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cc2sccc2[nH]1 ZINC000192222666 336022123 /nfs/dbraw/zinc/02/21/23/336022123.db2.gz RSDYUSCPDCLXDJ-UHFFFAOYSA-N 0 0 324.449 5.334 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1Cl ZINC000192358763 336030091 /nfs/dbraw/zinc/03/00/91/336030091.db2.gz RCQGZZVCCJQQCB-UHFFFAOYSA-N 0 0 303.789 5.037 20 30 DKEDRN Cc1nc(-c2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2)cs1 ZINC000192779993 336261694 /nfs/dbraw/zinc/26/16/94/336261694.db2.gz XOLACMLPKQIBFO-ZDUSSCGKSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2cccc(N[C@H](C)c3ccc(C#N)cc3)c2)cs1 ZINC000192780008 336261702 /nfs/dbraw/zinc/26/17/02/336261702.db2.gz XOLACMLPKQIBFO-CYBMUJFWSA-N 0 0 319.433 5.163 20 30 DKEDRN C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943632 336285477 /nfs/dbraw/zinc/28/54/77/336285477.db2.gz BXTLHJWEYUGYIJ-HOTGVXAUSA-N 0 0 300.405 5.123 20 30 DKEDRN C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943646 336285374 /nfs/dbraw/zinc/28/53/74/336285374.db2.gz BXTLHJWEYUGYIJ-CVEARBPZSA-N 0 0 300.405 5.123 20 30 DKEDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000192943658 336285448 /nfs/dbraw/zinc/28/54/48/336285448.db2.gz BXTLHJWEYUGYIJ-JKSUJKDBSA-N 0 0 300.405 5.123 20 30 DKEDRN C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1cccc(C#N)c1 ZINC000192943676 336285524 /nfs/dbraw/zinc/28/55/24/336285524.db2.gz BXTLHJWEYUGYIJ-HZPDHXFCSA-N 0 0 300.405 5.123 20 30 DKEDRN Cc1nc(-c2ccc(N[C@@H](C)c3cccc(C#N)c3)cc2)cs1 ZINC000192948269 336285727 /nfs/dbraw/zinc/28/57/27/336285727.db2.gz QZVRSKSDAPOBKX-ZDUSSCGKSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2ccc(N[C@H](C)c3cccc(C#N)c3)cc2)cs1 ZINC000192948283 336285692 /nfs/dbraw/zinc/28/56/92/336285692.db2.gz QZVRSKSDAPOBKX-CYBMUJFWSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2cccc(N[C@@H](C)c3cccc(C#N)c3)c2)cs1 ZINC000192995660 336286789 /nfs/dbraw/zinc/28/67/89/336286789.db2.gz DAJSPKOQSNYOIE-ZDUSSCGKSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2cccc(N[C@H](C)c3cccc(C#N)c3)c2)cs1 ZINC000192995677 336286810 /nfs/dbraw/zinc/28/68/10/336286810.db2.gz DAJSPKOQSNYOIE-CYBMUJFWSA-N 0 0 319.433 5.163 20 30 DKEDRN C[C@H](Nc1cccc(OCCCC#N)c1)c1cc2ccccc2o1 ZINC000193905805 337079814 /nfs/dbraw/zinc/07/98/14/337079814.db2.gz RZSRSXIGDJEWLB-HNNXBMFYSA-N 0 0 320.392 5.288 20 30 DKEDRN C[C@@H](Nc1cccc(OCCCC#N)c1)c1cc2ccccc2o1 ZINC000193905816 337079957 /nfs/dbraw/zinc/07/99/57/337079957.db2.gz RZSRSXIGDJEWLB-OAHLLOKOSA-N 0 0 320.392 5.288 20 30 DKEDRN N#CCCCOc1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000193905864 337081328 /nfs/dbraw/zinc/08/13/28/337081328.db2.gz LHJUVTSGYRGEDC-GOSISDBHSA-N 0 0 324.449 5.018 20 30 DKEDRN N#CCCCOc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000193905876 337081237 /nfs/dbraw/zinc/08/12/37/337081237.db2.gz LHJUVTSGYRGEDC-SFHVURJKSA-N 0 0 324.449 5.018 20 30 DKEDRN Cc1cc([C@@H](C)Nc2cccc(OCCCC#N)c2)c(C)s1 ZINC000193907631 337081309 /nfs/dbraw/zinc/08/13/09/337081309.db2.gz FXFVEUHEIWXUOU-CQSZACIVSA-N 0 0 314.454 5.221 20 30 DKEDRN Cc1cc([C@H](C)Nc2cccc(OCCCC#N)c2)c(C)s1 ZINC000193907647 337081232 /nfs/dbraw/zinc/08/12/32/337081232.db2.gz FXFVEUHEIWXUOU-AWEZNQCLSA-N 0 0 314.454 5.221 20 30 DKEDRN CCc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)s1 ZINC000194339399 338515289 /nfs/dbraw/zinc/51/52/89/338515289.db2.gz NOMSGCSXAXAKDW-CQSZACIVSA-N 0 0 314.454 5.166 20 30 DKEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C)cc1 ZINC000195656632 338912967 /nfs/dbraw/zinc/91/29/67/338912967.db2.gz MWGXEPHFAZMHHB-HXUWFJFHSA-N 0 0 308.425 5.241 20 30 DKEDRN C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc2c(c1)CCC2 ZINC000195656691 338912920 /nfs/dbraw/zinc/91/29/20/338912920.db2.gz SDTDAUQFTYYYTR-MRXNPFEDSA-N 0 0 320.436 5.031 20 30 DKEDRN N#Cc1ccc(/C=C/c2ccc(-c3ccccc3Cl)o2)nc1 ZINC000195673929 340585358 /nfs/dbraw/zinc/58/53/58/340585358.db2.gz JVWUDMQWFKBDDT-BQYQJAHWSA-N 0 0 306.752 5.037 20 30 DKEDRN CC(C)c1ccc(NC(=O)c2sccc2C#N)c(C(C)C)c1 ZINC000216092404 333148058 /nfs/dbraw/zinc/14/80/58/333148058.db2.gz HZLRIOAYVAYDKD-UHFFFAOYSA-N 0 0 312.438 5.119 20 30 DKEDRN N#CCCCSC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000216251802 333183334 /nfs/dbraw/zinc/18/33/34/333183334.db2.gz PMPAWPNSGFKIHR-UHFFFAOYSA-N 0 0 303.377 5.091 20 30 DKEDRN Cc1c(CSC(C)C)cccc1NCc1cc(C#N)cs1 ZINC000236616663 341189276 /nfs/dbraw/zinc/18/92/76/341189276.db2.gz RTPJCEUHJOTZQC-UHFFFAOYSA-N 0 0 316.495 5.182 20 30 DKEDRN CC(C)c1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000236668036 341193590 /nfs/dbraw/zinc/19/35/90/341193590.db2.gz OMDYBNBCTRYJPO-UHFFFAOYSA-N 0 0 308.425 5.105 20 30 DKEDRN CC(C)c1cccc(NCc2cccc(OCCCC#N)c2)c1 ZINC000236792882 341200548 /nfs/dbraw/zinc/20/05/48/341200548.db2.gz ULZLADGGRVQDPX-UHFFFAOYSA-N 0 0 308.425 5.105 20 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N#CCc1ccc(NCc2ccc(-c3ccccc3)s2)cc1 ZINC000237835224 340674393 /nfs/dbraw/zinc/67/43/93/340674393.db2.gz YFZVVFRUHARMLD-UHFFFAOYSA-N 0 0 304.418 5.093 20 30 DKEDRN N#Cc1cccc(CNc2cccc(COC3CCCCC3)c2)c1 ZINC000237848230 341221950 /nfs/dbraw/zinc/22/19/50/341221950.db2.gz INAYOWULTHXGBY-UHFFFAOYSA-N 0 0 320.436 5.020 20 30 DKEDRN N#Cc1csc(CNc2cccc(Oc3ccccc3)c2)c1 ZINC000237850353 340674628 /nfs/dbraw/zinc/67/46/28/340674628.db2.gz YSBYKCKPWSMXDF-UHFFFAOYSA-N 0 0 306.390 5.024 20 30 DKEDRN N#CCc1ccc(NCc2ccc(-c3ccccc3F)s2)cc1 ZINC000237888996 340674910 /nfs/dbraw/zinc/67/49/10/340674910.db2.gz ULVCFXPBAGSPQZ-UHFFFAOYSA-N 0 0 322.408 5.232 20 30 DKEDRN C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(C)(C)C#N)cc1 ZINC000267990742 333988259 /nfs/dbraw/zinc/98/82/59/333988259.db2.gz WKGLFBPKRMYDII-AWEZNQCLSA-N 0 0 324.449 5.028 20 30 DKEDRN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(C)(C)C#N)cc1 ZINC000267990744 333988316 /nfs/dbraw/zinc/98/83/16/333988316.db2.gz WKGLFBPKRMYDII-CQSZACIVSA-N 0 0 324.449 5.028 20 30 DKEDRN CC(C)(C#N)CCCNc1ccccc1COCc1ccccc1 ZINC000268601228 333992326 /nfs/dbraw/zinc/99/23/26/333992326.db2.gz SDYKHXCYVJQEQG-UHFFFAOYSA-N 0 0 322.452 5.145 20 30 DKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(CC#N)cc1 ZINC000270260630 334009849 /nfs/dbraw/zinc/00/98/49/334009849.db2.gz IDUVIMYNTUNHKS-UHFFFAOYSA-N 0 0 320.436 5.252 20 30 DKEDRN C=CCN(C(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1 ZINC000271315924 337643976 /nfs/dbraw/zinc/64/39/76/337643976.db2.gz ATFUPHHEOONLJS-UHFFFAOYSA-N 0 0 300.446 5.116 20 30 DKEDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(CC#N)cc1 ZINC000276321952 334075729 /nfs/dbraw/zinc/07/57/29/334075729.db2.gz OWXFCADKMOQAPH-UHFFFAOYSA-N 0 0 320.436 5.081 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)C ZINC000276383777 337664772 /nfs/dbraw/zinc/66/47/72/337664772.db2.gz HBPGKASRLQIPBG-UHFFFAOYSA-N 0 0 302.462 5.048 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)C(C)C ZINC000276393288 337664728 /nfs/dbraw/zinc/66/47/28/337664728.db2.gz IWYPXWUMHBYZGZ-OAHLLOKOSA-N 0 0 302.462 5.047 20 30 DKEDRN CC(C)(C#N)CCCCSCc1nc(C(F)(F)F)cs1 ZINC000278074306 334092839 /nfs/dbraw/zinc/09/28/39/334092839.db2.gz ZZJCSHHHYKHKNX-UHFFFAOYSA-N 0 0 322.421 5.115 20 30 DKEDRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280050413 334113911 /nfs/dbraw/zinc/11/39/11/334113911.db2.gz WDIGEFOPZJGQNL-UHFFFAOYSA-N 0 0 320.436 5.172 20 30 DKEDRN N#CC1(CCCSc2ccc3ccccc3c2)CCOCC1 ZINC000280928697 334121292 /nfs/dbraw/zinc/12/12/92/334121292.db2.gz HEWODRDEMNDLBE-UHFFFAOYSA-N 0 0 311.450 5.032 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1C1CC1 ZINC000280982629 334974942 /nfs/dbraw/zinc/97/49/42/334974942.db2.gz AAMTWYQESIEHHO-UHFFFAOYSA-N 0 0 309.409 5.261 20 30 DKEDRN CC[C@H](SCCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000281995974 334130355 /nfs/dbraw/zinc/13/03/55/334130355.db2.gz WBSGNTGZUPNMOI-KRWDZBQOSA-N 0 0 321.461 5.111 20 30 DKEDRN CC[C@@H](SCCCC1(C#N)CCOCC1)c1ccc(F)cc1 ZINC000281995981 334130398 /nfs/dbraw/zinc/13/03/98/334130398.db2.gz WBSGNTGZUPNMOI-QGZVFWFLSA-N 0 0 321.461 5.111 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000283397921 335004366 /nfs/dbraw/zinc/00/43/66/335004366.db2.gz FILHSOLENLNLMD-HNNXBMFYSA-N 0 0 321.411 5.303 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000283397938 335004359 /nfs/dbraw/zinc/00/43/59/335004359.db2.gz FILHSOLENLNLMD-OAHLLOKOSA-N 0 0 321.411 5.303 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1occc1C(C)C ZINC000285059326 335019487 /nfs/dbraw/zinc/01/94/87/335019487.db2.gz UPWYQVJKCWARQL-UHFFFAOYSA-N 0 0 311.425 5.507 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cc[nH]c1C(C)C ZINC000286491500 335035193 /nfs/dbraw/zinc/03/51/93/335035193.db2.gz MPDHCEQCMXXATA-UHFFFAOYSA-N 0 0 310.441 5.242 20 30 DKEDRN C[C@H](c1ccc(C(C)(C)C)cc1)[S@](=O)CCCC(C)(C)C#N ZINC000287691671 334158389 /nfs/dbraw/zinc/15/83/89/334158389.db2.gz XCOZBQGZGUOMFB-IVZQSRNASA-N 0 0 319.514 5.124 20 30 DKEDRN C[C@@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)CCCC(C)(C)C#N ZINC000287691674 334158278 /nfs/dbraw/zinc/15/82/78/334158278.db2.gz XCOZBQGZGUOMFB-NYHFZMIOSA-N 0 0 319.514 5.124 20 30 DKEDRN C[C@@H](c1ccc(C(C)(C)C)cc1)[S@](=O)CCCC(C)(C)C#N ZINC000287691676 334158234 /nfs/dbraw/zinc/15/82/34/334158234.db2.gz XCOZBQGZGUOMFB-OYHNWAKOSA-N 0 0 319.514 5.124 20 30 DKEDRN C[C@H](c1ccc(C(C)(C)C)cc1)[S@@](=O)CCCC(C)(C)C#N ZINC000287691677 334158310 /nfs/dbraw/zinc/15/83/10/334158310.db2.gz XCOZBQGZGUOMFB-QRQCRPRQSA-N 0 0 319.514 5.124 20 30 DKEDRN C[C@@H](SCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000289383413 334164863 /nfs/dbraw/zinc/16/48/63/334164863.db2.gz KTAAFYXEJCDLJR-CYBMUJFWSA-N 0 0 300.427 5.076 20 30 DKEDRN C[C@H](SCCC(C)(C)C#N)c1ncc(-c2ccccc2)o1 ZINC000289383418 334164856 /nfs/dbraw/zinc/16/48/56/334164856.db2.gz KTAAFYXEJCDLJR-ZDUSSCGKSA-N 0 0 300.427 5.076 20 30 DKEDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ccc(C#N)cc1 ZINC000301093158 336289658 /nfs/dbraw/zinc/28/96/58/336289658.db2.gz MGWQHRLAGFVJIG-CYBMUJFWSA-N 0 0 319.433 5.163 20 30 DKEDRN Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ccc(C#N)cc1 ZINC000301093159 336289602 /nfs/dbraw/zinc/28/96/02/336289602.db2.gz MGWQHRLAGFVJIG-ZDUSSCGKSA-N 0 0 319.433 5.163 20 30 DKEDRN C=C(C)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000301147133 336289965 /nfs/dbraw/zinc/28/99/65/336289965.db2.gz QPOMUVZOMVKJDG-UHFFFAOYSA-N 0 0 310.397 5.104 20 30 DKEDRN C[C@@H](Nc1snc(Cl)c1C#N)c1cc2ccccc2s1 ZINC000301188707 336294025 /nfs/dbraw/zinc/29/40/25/336294025.db2.gz LGLPWNBECAKDGV-MRVPVSSYSA-N 0 0 319.842 5.056 20 30 DKEDRN C[C@H](Nc1snc(Cl)c1C#N)c1cc2ccccc2s1 ZINC000301188710 336294095 /nfs/dbraw/zinc/29/40/95/336294095.db2.gz LGLPWNBECAKDGV-QMMMGPOBSA-N 0 0 319.842 5.056 20 30 DKEDRN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)cs1 ZINC000301300673 336299747 /nfs/dbraw/zinc/29/97/47/336299747.db2.gz ZTXDDWGBHZPUFZ-JTQLQIEISA-N 0 0 319.861 5.139 20 30 DKEDRN C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)cs1 ZINC000301300675 336299786 /nfs/dbraw/zinc/29/97/86/336299786.db2.gz ZTXDDWGBHZPUFZ-SNVBAGLBSA-N 0 0 319.861 5.139 20 30 DKEDRN N#CCC[C@H](Nc1ccnc2ccc(Cl)cc21)c1ccccc1 ZINC000301759692 336328184 /nfs/dbraw/zinc/32/81/84/336328184.db2.gz AWSIPLVGYFFDED-KRWDZBQOSA-N 0 0 321.811 5.345 20 30 DKEDRN N#CCC[C@@H](Nc1ccnc2ccc(Cl)cc21)c1ccccc1 ZINC000301759693 336328088 /nfs/dbraw/zinc/32/80/88/336328088.db2.gz AWSIPLVGYFFDED-QGZVFWFLSA-N 0 0 321.811 5.345 20 30 DKEDRN N#CCC[C@H](Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000301772163 336328751 /nfs/dbraw/zinc/32/87/51/336328751.db2.gz GCDRSVFQFUFQSM-KRWDZBQOSA-N 0 0 319.433 5.267 20 30 DKEDRN N#CCC[C@@H](Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000301772164 336328781 /nfs/dbraw/zinc/32/87/81/336328781.db2.gz GCDRSVFQFUFQSM-QGZVFWFLSA-N 0 0 319.433 5.267 20 30 DKEDRN N#CCC[C@H](Nc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000301781395 336329426 /nfs/dbraw/zinc/32/94/26/336329426.db2.gz JPYGSTFKHXMSEB-KRWDZBQOSA-N 0 0 319.433 5.267 20 30 DKEDRN N#CCC[C@@H](Nc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000301781396 336329407 /nfs/dbraw/zinc/32/94/07/336329407.db2.gz JPYGSTFKHXMSEB-QGZVFWFLSA-N 0 0 319.433 5.267 20 30 DKEDRN N#CCC[C@H](Nc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000301785572 336329624 /nfs/dbraw/zinc/32/96/24/336329624.db2.gz LJQYDZGRENGYLU-KRWDZBQOSA-N 0 0 321.811 5.345 20 30 DKEDRN N#CCC[C@@H](Nc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000301785574 336329626 /nfs/dbraw/zinc/32/96/26/336329626.db2.gz LJQYDZGRENGYLU-QGZVFWFLSA-N 0 0 321.811 5.345 20 30 DKEDRN N#CCC[C@H](Nc1cc2ccccc2c(Cl)n1)c1ccccc1 ZINC000301785702 336329654 /nfs/dbraw/zinc/32/96/54/336329654.db2.gz LRERFGRLRLFOGP-KRWDZBQOSA-N 0 0 321.811 5.345 20 30 DKEDRN N#CCC[C@@H](Nc1cc2ccccc2c(Cl)n1)c1ccccc1 ZINC000301785703 336329712 /nfs/dbraw/zinc/32/97/12/336329712.db2.gz LRERFGRLRLFOGP-QGZVFWFLSA-N 0 0 321.811 5.345 20 30 DKEDRN Cc1cc(N[C@H](CCC#N)c2ccccc2)c2cccc(F)c2n1 ZINC000301788620 336329950 /nfs/dbraw/zinc/32/99/50/336329950.db2.gz MVJIZSLXLWBNRN-GOSISDBHSA-N 0 0 319.383 5.139 20 30 DKEDRN Cc1cc(N[C@@H](CCC#N)c2ccccc2)c2cccc(F)c2n1 ZINC000301788622 336329983 /nfs/dbraw/zinc/32/99/83/336329983.db2.gz MVJIZSLXLWBNRN-SFHVURJKSA-N 0 0 319.383 5.139 20 30 DKEDRN C[C@@H](Nc1ccc2cc(C#N)ccc2n1)c1cc2ccccc2o1 ZINC000301824409 336332550 /nfs/dbraw/zinc/33/25/50/336332550.db2.gz NTIIVDFKSJXXCD-CYBMUJFWSA-N 0 0 313.360 5.026 20 30 DKEDRN C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1cc2ccccc2o1 ZINC000301824410 336332425 /nfs/dbraw/zinc/33/24/25/336332425.db2.gz NTIIVDFKSJXXCD-ZDUSSCGKSA-N 0 0 313.360 5.026 20 30 DKEDRN C[C@@H](Sc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301935646 336338892 /nfs/dbraw/zinc/33/88/92/336338892.db2.gz TZIWWUZQVRFVHO-SSDOTTSWSA-N 0 0 315.250 5.175 20 30 DKEDRN C[C@H](Sc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301935647 336338858 /nfs/dbraw/zinc/33/88/58/336338858.db2.gz TZIWWUZQVRFVHO-ZETCQYMHSA-N 0 0 315.250 5.175 20 30 DKEDRN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)c2ccccc2)n1 ZINC000301947231 340265143 /nfs/dbraw/zinc/26/51/43/340265143.db2.gz XZBGMXZJRFPUDP-LLVKDONJSA-N 0 0 322.355 5.134 20 30 DKEDRN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)c2ccccc2)n1 ZINC000301947232 340265150 /nfs/dbraw/zinc/26/51/50/340265150.db2.gz XZBGMXZJRFPUDP-NSHDSACASA-N 0 0 322.355 5.134 20 30 DKEDRN C[C@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000302929295 340286805 /nfs/dbraw/zinc/28/68/05/340286805.db2.gz DNUBKCZUJINCLT-INIZCTEOSA-N 0 0 314.388 5.524 20 30 DKEDRN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000302929298 340286804 /nfs/dbraw/zinc/28/68/04/340286804.db2.gz DNUBKCZUJINCLT-MRXNPFEDSA-N 0 0 314.388 5.524 20 30 DKEDRN C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000303100369 340633072 /nfs/dbraw/zinc/63/30/72/340633072.db2.gz HJXXMKTYBUWZGN-HNNXBMFYSA-N 0 0 312.457 5.033 20 30 DKEDRN C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000303100376 340633025 /nfs/dbraw/zinc/63/30/25/340633025.db2.gz HJXXMKTYBUWZGN-OAHLLOKOSA-N 0 0 312.457 5.033 20 30 DKEDRN N#Cc1ccc(N[C@@H](c2ccccc2)c2ccc(F)cc2)c(F)c1 ZINC000303189204 340310902 /nfs/dbraw/zinc/31/09/02/340310902.db2.gz YWSHRTGKDMWFPM-FQEVSTJZSA-N 0 0 320.342 5.038 20 30 DKEDRN N#Cc1ccc(N[C@H](c2ccccc2)c2ccc(F)cc2)c(F)c1 ZINC000303189205 340310973 /nfs/dbraw/zinc/31/09/73/340310973.db2.gz YWSHRTGKDMWFPM-HXUWFJFHSA-N 0 0 320.342 5.038 20 30 DKEDRN CC[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000303232715 340314600 /nfs/dbraw/zinc/31/46/00/340314600.db2.gz WCDKXWNBWPGZAZ-INIZCTEOSA-N 0 0 320.436 5.010 20 30 DKEDRN CC[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000303232716 340314616 /nfs/dbraw/zinc/31/46/16/340314616.db2.gz WCDKXWNBWPGZAZ-MRXNPFEDSA-N 0 0 320.436 5.010 20 30 DKEDRN CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303547762 340332691 /nfs/dbraw/zinc/33/26/91/340332691.db2.gz LFLFTZRTZIWEAT-INIZCTEOSA-N 0 0 312.457 5.033 20 30 DKEDRN CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303547763 340332652 /nfs/dbraw/zinc/33/26/52/340332652.db2.gz LFLFTZRTZIWEAT-MRXNPFEDSA-N 0 0 312.457 5.033 20 30 DKEDRN C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303582622 340335698 /nfs/dbraw/zinc/33/56/98/340335698.db2.gz RNNLWHOXNKSHFB-HNNXBMFYSA-N 0 0 312.457 5.033 20 30 DKEDRN C[C@H](CC1CCCCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303582623 340335674 /nfs/dbraw/zinc/33/56/74/340335674.db2.gz RNNLWHOXNKSHFB-OAHLLOKOSA-N 0 0 312.457 5.033 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000303932414 336382852 /nfs/dbraw/zinc/38/28/52/336382852.db2.gz XLEJHWWADMYNIV-UHFFFAOYSA-N 0 0 324.424 5.217 20 30 DKEDRN N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2Cl)nc1 ZINC000314073594 333085925 /nfs/dbraw/zinc/08/59/25/333085925.db2.gz LVOCHLDZTPGRBY-UHFFFAOYSA-N 0 0 306.752 5.066 20 30 DKEDRN CCCOc1ccc(Cl)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000314613314 334707768 /nfs/dbraw/zinc/70/77/68/334707768.db2.gz VINQIINHZZDLOG-CYBMUJFWSA-N 0 0 314.816 5.174 20 30 DKEDRN Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1C(F)(F)F ZINC000314790481 336391356 /nfs/dbraw/zinc/39/13/56/336391356.db2.gz KAILGWXWZNRNEN-GFCCVEGCSA-N 0 0 304.315 5.059 20 30 DKEDRN Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1C(F)(F)F ZINC000314790482 336391292 /nfs/dbraw/zinc/39/12/92/336391292.db2.gz KAILGWXWZNRNEN-LBPRGKRZSA-N 0 0 304.315 5.059 20 30 DKEDRN N#Cc1ccc(-c2csc(-c3cc4ccccc4o3)n2)cc1 ZINC000316885374 340697401 /nfs/dbraw/zinc/69/74/01/340697401.db2.gz QLIFMEOYQRPAGB-UHFFFAOYSA-N 0 0 302.358 5.095 20 30 DKEDRN Cc1ccc(C)c([C@H](C)Nc2cccc(OCCCC#N)c2)c1 ZINC000321552860 337275602 /nfs/dbraw/zinc/27/56/02/337275602.db2.gz FFBLGUJXTSYGFG-KRWDZBQOSA-N 0 0 308.425 5.159 20 30 DKEDRN Cc1ccc(C)c([C@@H](C)Nc2cccc(OCCCC#N)c2)c1 ZINC000321552861 337275581 /nfs/dbraw/zinc/27/55/81/337275581.db2.gz FFBLGUJXTSYGFG-QGZVFWFLSA-N 0 0 308.425 5.159 20 30 DKEDRN CCC[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000321666321 337282278 /nfs/dbraw/zinc/28/22/78/337282278.db2.gz SYQGRFFIPOXOMM-FQEVSTJZSA-N 0 0 308.425 5.322 20 30 DKEDRN CCC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000321666323 337282177 /nfs/dbraw/zinc/28/21/77/337282177.db2.gz SYQGRFFIPOXOMM-HXUWFJFHSA-N 0 0 308.425 5.322 20 30 DKEDRN CCc1ccc([C@H](C)Nc2cccc(OCCCC#N)c2)cc1 ZINC000321676330 337282914 /nfs/dbraw/zinc/28/29/14/337282914.db2.gz VNJUALANIUBTIA-INIZCTEOSA-N 0 0 308.425 5.105 20 30 DKEDRN CCc1ccc([C@@H](C)Nc2cccc(OCCCC#N)c2)cc1 ZINC000321676331 337282905 /nfs/dbraw/zinc/28/29/05/337282905.db2.gz VNJUALANIUBTIA-MRXNPFEDSA-N 0 0 308.425 5.105 20 30 DKEDRN Cc1cc(C)cc([C@H](C)Nc2cccc(OCCCC#N)c2)c1 ZINC000321918367 337304426 /nfs/dbraw/zinc/30/44/26/337304426.db2.gz ANEDEEQDQDRCPO-KRWDZBQOSA-N 0 0 308.425 5.159 20 30 DKEDRN Cc1cc(C)cc([C@@H](C)Nc2cccc(OCCCC#N)c2)c1 ZINC000321918369 337304311 /nfs/dbraw/zinc/30/43/11/337304311.db2.gz ANEDEEQDQDRCPO-QGZVFWFLSA-N 0 0 308.425 5.159 20 30 DKEDRN CC[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(C)c1 ZINC000323721800 334264267 /nfs/dbraw/zinc/26/42/67/334264267.db2.gz KZYCVJVFGMJTBQ-FQEVSTJZSA-N 0 0 308.425 5.241 20 30 DKEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(C)c1 ZINC000323721803 334264332 /nfs/dbraw/zinc/26/43/32/334264332.db2.gz KZYCVJVFGMJTBQ-HXUWFJFHSA-N 0 0 308.425 5.241 20 30 DKEDRN C[C@H](Nc1ccc2oc3ccccc3c2c1)c1ccc(C#N)cc1 ZINC000324243184 336115568 /nfs/dbraw/zinc/11/55/68/336115568.db2.gz ZMHSFXJEDLUQQA-AWEZNQCLSA-N 0 0 312.372 5.631 20 30 DKEDRN C[C@@H](Nc1ccc2oc3ccccc3c2c1)c1ccc(C#N)cc1 ZINC000324243190 336115719 /nfs/dbraw/zinc/11/57/19/336115719.db2.gz ZMHSFXJEDLUQQA-CQSZACIVSA-N 0 0 312.372 5.631 20 30 DKEDRN C[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000324370797 336199414 /nfs/dbraw/zinc/19/94/14/336199414.db2.gz JMISMXVCGWUZRR-INIZCTEOSA-N 0 0 314.388 5.524 20 30 DKEDRN C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000324370798 336199417 /nfs/dbraw/zinc/19/94/17/336199417.db2.gz JMISMXVCGWUZRR-MRXNPFEDSA-N 0 0 314.388 5.524 20 30 DKEDRN N#CCCCOc1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000324388760 336205115 /nfs/dbraw/zinc/20/51/15/336205115.db2.gz PIZTWQSSBPOKBN-FQEVSTJZSA-N 0 0 324.399 5.071 20 30 DKEDRN N#CCCCOc1cccc(N[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000324388761 336205056 /nfs/dbraw/zinc/20/50/56/336205056.db2.gz PIZTWQSSBPOKBN-HXUWFJFHSA-N 0 0 324.399 5.071 20 30 DKEDRN CC(C)(C)c1ccc(CNc2cccc(OCCCC#N)c2)cc1 ZINC000324388768 336205087 /nfs/dbraw/zinc/20/50/87/336205087.db2.gz PJOGSYQVSLZTAZ-UHFFFAOYSA-N 0 0 322.452 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5.033 20 30 DKEDRN Cc1nc([C@@H](C)SCCC#N)oc1-c1ccc(Cl)cc1 ZINC000413011751 333826360 /nfs/dbraw/zinc/82/63/60/333826360.db2.gz JRMSFLUQQRVIKF-LLVKDONJSA-N 0 0 306.818 5.011 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000413741571 333869921 /nfs/dbraw/zinc/86/99/21/333869921.db2.gz DDUQUAQBMIAONT-UXHICEINSA-N 0 0 319.448 5.281 20 30 DKEDRN C[C@@H](c1ccc(Cl)cc1)[S@](=O)CCC1(C#N)CCCCC1 ZINC000414238803 333918206 /nfs/dbraw/zinc/91/82/06/333918206.db2.gz KLZJDDBXRHLJCG-LHSJRXKWSA-N 0 0 323.889 5.014 20 30 DKEDRN C[C@@H](c1ccc(Cl)cc1)[S@@](=O)CCC1(C#N)CCCCC1 ZINC000414238804 333918207 /nfs/dbraw/zinc/91/82/07/333918207.db2.gz KLZJDDBXRHLJCG-QKKBWIMNSA-N 0 0 323.889 5.014 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000417035371 334690532 /nfs/dbraw/zinc/69/05/32/334690532.db2.gz FYKKECBNHGOUSZ-ARFHVFGLSA-N 0 0 314.473 5.047 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000417035372 334690436 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C=CCc1cccc(C(C)C)c1NC(=O)N1CC(C)(C)C[C@H]1C ZINC000417046386 334690856 /nfs/dbraw/zinc/69/08/56/334690856.db2.gz SRRXTLPPMOUFEV-OAHLLOKOSA-N 0 0 314.473 5.191 20 30 DKEDRN C[C@@H](c1ccc(CSCCCCC#N)cc1)C(F)(F)F ZINC000419514693 337486503 /nfs/dbraw/zinc/48/65/03/337486503.db2.gz HVFVSLPQJHGKDM-LBPRGKRZSA-N 0 0 301.377 5.279 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1C ZINC000421502692 337537371 /nfs/dbraw/zinc/53/73/71/337537371.db2.gz HKGMHUDWIOKEEY-UHFFFAOYSA-N 0 0 311.400 5.238 20 30 DKEDRN CC(C)(C#N)c1ccccc1CNc1ccccc1C(F)F ZINC000424561368 337861620 /nfs/dbraw/zinc/86/16/20/337861620.db2.gz BKEQAXFOWSGYIM-UHFFFAOYSA-N 0 0 300.352 5.037 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424784576 337414110 /nfs/dbraw/zinc/41/41/10/337414110.db2.gz ABQSWJJUFAFQLZ-CVEARBPZSA-N 0 0 303.421 5.005 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424784582 337414120 /nfs/dbraw/zinc/41/41/20/337414120.db2.gz ABQSWJJUFAFQLZ-HZPDHXFCSA-N 0 0 303.421 5.005 20 30 DKEDRN C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C(F)F ZINC000425689407 337434619 /nfs/dbraw/zinc/43/46/19/337434619.db2.gz CFBPXLIXUDPVFI-UHFFFAOYSA-N 0 0 322.399 5.224 20 30 DKEDRN C=CC[C@@H]1N(C(=O)Nc2ccccc2C(F)F)CCCC1(C)C ZINC000425702635 337443226 /nfs/dbraw/zinc/44/32/26/337443226.db2.gz MYZYDGNYRAUZHF-HNNXBMFYSA-N 0 0 322.399 5.223 20 30 DKEDRN CCCC(C)(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000426322177 338026836 /nfs/dbraw/zinc/02/68/36/338026836.db2.gz HKBXELAYGZRPQH-AWEZNQCLSA-N 0 0 318.486 5.236 20 30 DKEDRN CCCC(C)(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000426322178 338026884 /nfs/dbraw/zinc/02/68/84/338026884.db2.gz HKBXELAYGZRPQH-CQSZACIVSA-N 0 0 318.486 5.236 20 30 DKEDRN CCC(CC)CN(CCC#N)C(=O)Nc1cccc2ccccc21 ZINC000426645782 338036902 /nfs/dbraw/zinc/03/69/02/338036902.db2.gz IGESNLXOWQKTRL-UHFFFAOYSA-N 0 0 323.440 5.024 20 30 DKEDRN CC(C)O[C@H](CSCCCCC(C)(C)C#N)c1ccccc1 ZINC000427696449 332491273 /nfs/dbraw/zinc/49/12/73/332491273.db2.gz QFPGEQAPTCQODR-GOSISDBHSA-N 0 0 319.514 5.606 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ZINC000429624111 338086176 /nfs/dbraw/zinc/08/61/76/338086176.db2.gz SOLCVZMESIANGR-RDJZCZTQSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[C@@H](C)C1 ZINC000429624113 338086277 /nfs/dbraw/zinc/08/62/77/338086277.db2.gz SOLCVZMESIANGR-WBVHZDCISA-N 0 0 314.473 5.191 20 30 DKEDRN N#C[C@@H]1CC[C@H](Sc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430089428 338095692 /nfs/dbraw/zinc/09/56/92/338095692.db2.gz NHTYACKMCHLQRV-BDAKNGLRSA-N 0 0 305.752 5.143 20 30 DKEDRN N#C[C@H]1CC[C@@H](Sc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430089429 338095673 /nfs/dbraw/zinc/09/56/73/338095673.db2.gz NHTYACKMCHLQRV-DTWKUNHWSA-N 0 0 305.752 5.143 20 30 DKEDRN N#C[C@H]1CC[C@H](Sc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430089431 338095672 /nfs/dbraw/zinc/09/56/72/338095672.db2.gz NHTYACKMCHLQRV-IUCAKERBSA-N 0 0 305.752 5.143 20 30 DKEDRN N#C[C@@H]1CC[C@@H](Sc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000430089432 338095730 /nfs/dbraw/zinc/09/57/30/338095730.db2.gz NHTYACKMCHLQRV-RKDXNWHRSA-N 0 0 305.752 5.143 20 30 DKEDRN 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YBUSSMARMSQEIC-OLZOCXBDSA-N 0 0 312.394 5.022 20 30 DKEDRN C[C@@H](S[C@@H](C)c1ccc(C#N)cc1)c1ccccc1[N+](=O)[O-] ZINC000437279678 338305894 /nfs/dbraw/zinc/30/58/94/338305894.db2.gz YBUSSMARMSQEIC-QWHCGFSZSA-N 0 0 312.394 5.022 20 30 DKEDRN C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000437279679 338305968 /nfs/dbraw/zinc/30/59/68/338305968.db2.gz YBUSSMARMSQEIC-STQMWFEESA-N 0 0 312.394 5.022 20 30 DKEDRN CC(C)c1ccc(NC(=O)c2cc(C#N)cs2)c(C(C)C)c1 ZINC000437674855 338318038 /nfs/dbraw/zinc/31/80/38/338318038.db2.gz NEXCYNXIHWNMNS-UHFFFAOYSA-N 0 0 312.438 5.119 20 30 DKEDRN N#CCCCOc1cccc(N[C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000438125215 338333573 /nfs/dbraw/zinc/33/35/73/338333573.db2.gz VUBOYTOPSUIDJE-AZUAARDMSA-N 0 0 320.436 5.117 20 30 DKEDRN N#CCCCOc1cccc(N[C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000438125217 338333690 /nfs/dbraw/zinc/33/36/90/338333690.db2.gz VUBOYTOPSUIDJE-ICSRJNTNSA-N 0 0 320.436 5.117 20 30 DKEDRN N#CCCCOc1cccc(N[C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000438125218 338333698 /nfs/dbraw/zinc/33/36/98/338333698.db2.gz VUBOYTOPSUIDJE-QUCCMNQESA-N 0 0 320.436 5.117 20 30 DKEDRN N#CCCCOc1cccc(N[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000438125220 338333578 /nfs/dbraw/zinc/33/35/78/338333578.db2.gz VUBOYTOPSUIDJE-UYAOXDASSA-N 0 0 320.436 5.117 20 30 DKEDRN C=C(C)COc1cccc(NC(=O)N(CCCCC)C(C)C)c1 ZINC000438129064 338333751 /nfs/dbraw/zinc/33/37/51/338333751.db2.gz PTKAVUOXMNYFGT-UHFFFAOYSA-N 0 0 318.461 5.074 20 30 DKEDRN C=CCN(CC=C)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000438254304 338337936 /nfs/dbraw/zinc/33/79/36/338337936.db2.gz GIAVMIYZHOMVOS-UHFFFAOYSA-N 0 0 324.877 5.046 20 30 DKEDRN CCc1ccccc1CNc1ccccc1S[C@@H](C)CC#N ZINC000438291923 338338840 /nfs/dbraw/zinc/33/88/40/338338840.db2.gz CRYZMRQTLIOQLZ-HNNXBMFYSA-N 0 0 310.466 5.255 20 30 DKEDRN CCc1ccccc1CNc1ccccc1S[C@H](C)CC#N ZINC000438291924 338338891 /nfs/dbraw/zinc/33/88/91/338338891.db2.gz CRYZMRQTLIOQLZ-OAHLLOKOSA-N 0 0 310.466 5.255 20 30 DKEDRN CCc1ccccc1CNc1ccccc1SC[C@@H](C)C#N ZINC000438324826 338339753 /nfs/dbraw/zinc/33/97/53/338339753.db2.gz FZHIIOBIOYSOBI-HNNXBMFYSA-N 0 0 310.466 5.113 20 30 DKEDRN CCc1ccccc1CNc1ccccc1SC[C@H](C)C#N ZINC000438324835 338339736 /nfs/dbraw/zinc/33/97/36/338339736.db2.gz FZHIIOBIOYSOBI-OAHLLOKOSA-N 0 0 310.466 5.113 20 30 DKEDRN C=CCCCCCN(C)C(=O)Nc1cccc(CSCC)c1 ZINC000438371800 338341831 /nfs/dbraw/zinc/34/18/31/338341831.db2.gz AFGZDDXSVTZJCZ-UHFFFAOYSA-N 0 0 320.502 5.150 20 30 DKEDRN C=CCCCCCN(C)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000438372055 338341776 /nfs/dbraw/zinc/34/17/76/338341776.db2.gz LKRKFGCCTJXFLF-UHFFFAOYSA-N 0 0 318.461 5.074 20 30 DKEDRN N#Cc1ccc(CSc2cccc3cccnc32)c(Cl)c1 ZINC000438884081 338354732 /nfs/dbraw/zinc/35/47/32/338354732.db2.gz FJTAOBXHVZNYPR-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN N#Cc1ccc(CSc2ccnc3ccccc32)c(Cl)c1 ZINC000438885676 338354717 /nfs/dbraw/zinc/35/47/17/338354717.db2.gz VCDDLOGRKNRCAS-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN C[C@@H](Oc1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000438906616 338355622 /nfs/dbraw/zinc/35/56/22/338355622.db2.gz DLROYDYXSWUOPX-GFCCVEGCSA-N 0 0 324.767 5.007 20 30 DKEDRN C[C@H](Oc1ccc(C#N)c(Cl)c1)c1ncc(-c2ccccc2)o1 ZINC000438906617 338355562 /nfs/dbraw/zinc/35/55/62/338355562.db2.gz DLROYDYXSWUOPX-LBPRGKRZSA-N 0 0 324.767 5.007 20 30 DKEDRN CC(C)Oc1ccccc1-c1nc(-c2cccc(C#N)c2)cs1 ZINC000439154245 338362769 /nfs/dbraw/zinc/36/27/69/338362769.db2.gz RRIJNFZVFPHUDZ-UHFFFAOYSA-N 0 0 320.417 5.136 20 30 DKEDRN C=CC[C@H](CC)NC(=O)Nc1c(CCC)cccc1C(C)C ZINC000439383764 338368203 /nfs/dbraw/zinc/36/82/03/338368203.db2.gz SBRDZLNEPINKAR-INIZCTEOSA-N 0 0 302.462 5.239 20 30 DKEDRN C=CC[C@@H](CC)NC(=O)Nc1c(CCC)cccc1C(C)C ZINC000439383766 338368277 /nfs/dbraw/zinc/36/82/77/338368277.db2.gz SBRDZLNEPINKAR-MRXNPFEDSA-N 0 0 302.462 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)CC=C ZINC000439388623 338368353 /nfs/dbraw/zinc/36/83/53/338368353.db2.gz SMTJUDIJEVCBTJ-INIZCTEOSA-N 0 0 300.446 5.015 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)CC=C ZINC000439388624 338368337 /nfs/dbraw/zinc/36/83/37/338368337.db2.gz SMTJUDIJEVCBTJ-MRXNPFEDSA-N 0 0 300.446 5.015 20 30 DKEDRN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000439449622 338369821 /nfs/dbraw/zinc/36/98/21/338369821.db2.gz IQEXFAFXJTUJCY-CYBMUJFWSA-N 0 0 324.811 5.117 20 30 DKEDRN Cc1c2ccccc2oc1[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000439449623 338369736 /nfs/dbraw/zinc/36/97/36/338369736.db2.gz IQEXFAFXJTUJCY-ZDUSSCGKSA-N 0 0 324.811 5.117 20 30 DKEDRN Cc1ccccc1CCCNc1ccccc1SCCC#N ZINC000439531127 338372562 /nfs/dbraw/zinc/37/25/62/338372562.db2.gz ZMILRIRYSPCEGN-UHFFFAOYSA-N 0 0 310.466 5.046 20 30 DKEDRN CC(C)c1nc2ccc(N[C@H](C)c3ccc(C#N)cc3)cc2s1 ZINC000439572313 338373462 /nfs/dbraw/zinc/37/34/62/338373462.db2.gz PSDCBVOCVSHNMZ-CYBMUJFWSA-N 0 0 321.449 5.464 20 30 DKEDRN CC(C)c1nc2ccc(N[C@@H](C)c3ccc(C#N)cc3)cc2s1 ZINC000439572314 338373473 /nfs/dbraw/zinc/37/34/73/338373473.db2.gz PSDCBVOCVSHNMZ-ZDUSSCGKSA-N 0 0 321.449 5.464 20 30 DKEDRN N#Cc1ccccc1SCc1cc(Cl)cc2cccnc21 ZINC000439693236 338376024 /nfs/dbraw/zinc/37/60/24/338376024.db2.gz MHBCHOARCQXETO-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN N#Cc1ccccc1SCc1csc(C2CCCCC2)n1 ZINC000439705745 338376292 /nfs/dbraw/zinc/37/62/92/338376292.db2.gz GQHMSFAPQZADBE-UHFFFAOYSA-N 0 0 314.479 5.355 20 30 DKEDRN N#Cc1ccccc1SCc1csc(-c2cccs2)n1 ZINC000439711616 338376358 /nfs/dbraw/zinc/37/63/58/338376358.db2.gz VBNYWRCQMVAIIA-UHFFFAOYSA-N 0 0 314.460 5.036 20 30 DKEDRN C=CC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000439982029 338382259 /nfs/dbraw/zinc/38/22/59/338382259.db2.gz SKKNMDNJJAYISV-DLBZAZTESA-N 0 0 322.452 5.021 20 30 DKEDRN C=CC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000439982030 338382307 /nfs/dbraw/zinc/38/23/07/338382307.db2.gz SKKNMDNJJAYISV-IAGOWNOFSA-N 0 0 322.452 5.021 20 30 DKEDRN C=CC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000439982031 338382320 /nfs/dbraw/zinc/38/23/20/338382320.db2.gz SKKNMDNJJAYISV-IRXDYDNUSA-N 0 0 322.452 5.021 20 30 DKEDRN C=CC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000439982032 338382285 /nfs/dbraw/zinc/38/22/85/338382285.db2.gz SKKNMDNJJAYISV-SJORKVTESA-N 0 0 322.452 5.021 20 30 DKEDRN CC[C@H](C#N)Sc1nc2c(o1)c(Cl)cc(Cl)c2Cl ZINC000440580568 338390960 /nfs/dbraw/zinc/39/09/60/338390960.db2.gz BPMRVSHQISMNQV-RXMQYKEDSA-N 0 0 321.616 5.182 20 30 DKEDRN CC[C@@H](C#N)Sc1nc2c(o1)c(Cl)cc(Cl)c2Cl ZINC000440580572 338390976 /nfs/dbraw/zinc/39/09/76/338390976.db2.gz BPMRVSHQISMNQV-YFKPBYRVSA-N 0 0 321.616 5.182 20 30 DKEDRN N#CCCCSc1nc2c(o1)c(Cl)cc(Cl)c2Cl ZINC000440586009 338391302 /nfs/dbraw/zinc/39/13/02/338391302.db2.gz VILMDSMJQMZOLT-UHFFFAOYSA-N 0 0 321.616 5.184 20 30 DKEDRN C=C[C@@H](CC(=O)Nc1cccc(C(C)(F)F)c1)c1ccccc1 ZINC000440645490 338394162 /nfs/dbraw/zinc/39/41/62/338394162.db2.gz JDORREMXNSTWLZ-AWEZNQCLSA-N 0 0 315.363 5.097 20 30 DKEDRN C=C[C@H](CC(=O)Nc1cccc(C(C)(F)F)c1)c1ccccc1 ZINC000440645493 338394078 /nfs/dbraw/zinc/39/40/78/338394078.db2.gz JDORREMXNSTWLZ-CQSZACIVSA-N 0 0 315.363 5.097 20 30 DKEDRN C=CC[C@H](C(=O)Nc1cccc(C(C)(F)F)c1)c1ccccc1 ZINC000440646864 334609394 /nfs/dbraw/zinc/60/93/94/334609394.db2.gz ZPZXJQKRAUNXFW-KRWDZBQOSA-N 0 0 315.363 5.097 20 30 DKEDRN C[C@@H](CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000441327911 338408607 /nfs/dbraw/zinc/40/86/07/338408607.db2.gz ZIAHICIMERJOSV-INIZCTEOSA-N 0 0 320.436 5.010 20 30 DKEDRN C[C@H](CCC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000441327914 338408642 /nfs/dbraw/zinc/40/86/42/338408642.db2.gz ZIAHICIMERJOSV-MRXNPFEDSA-N 0 0 320.436 5.010 20 30 DKEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000442963439 338440413 /nfs/dbraw/zinc/44/04/13/338440413.db2.gz GZVATHTVXJKPMJ-HRAATJIYSA-N 0 0 322.452 5.401 20 30 DKEDRN CCC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccsc1 ZINC000443081394 338443726 /nfs/dbraw/zinc/44/37/26/338443726.db2.gz VMFBBLXMUPCLLN-GOSISDBHSA-N 0 0 314.454 5.384 20 30 DKEDRN N#CC1(c2ccccc2)CCC(Nc2ccc3ccoc3c2)CC1 ZINC000443082333 336398282 /nfs/dbraw/zinc/39/82/82/336398282.db2.gz ACDXOYMROUJZOC-UHFFFAOYSA-N 0 0 316.404 5.249 20 30 DKEDRN CCC(CC)n1ccc(CS[C@@H](C)c2cccc(C#N)c2)n1 ZINC000443130541 338445207 /nfs/dbraw/zinc/44/52/07/338445207.db2.gz JBYJHNLFRFEFDK-AWEZNQCLSA-N 0 0 313.470 5.110 20 30 DKEDRN C[C@H](SCc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000443133063 338445288 /nfs/dbraw/zinc/44/52/88/338445288.db2.gz NGLJXDLLPVDEJP-AWEZNQCLSA-N 0 0 304.418 5.101 20 30 DKEDRN C[C@@H](SCc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000443133065 338445380 /nfs/dbraw/zinc/44/53/80/338445380.db2.gz NGLJXDLLPVDEJP-CQSZACIVSA-N 0 0 304.418 5.101 20 30 DKEDRN C[C@H](SCc1ccc2ccccc2n1)c1cccc(C#N)c1 ZINC000443134516 338445287 /nfs/dbraw/zinc/44/52/87/338445287.db2.gz PMIHGEWKJXISQQ-AWEZNQCLSA-N 0 0 304.418 5.101 20 30 DKEDRN C[C@@H](SCc1ccc2ccccc2n1)c1cccc(C#N)c1 ZINC000443134518 338445330 /nfs/dbraw/zinc/44/53/30/338445330.db2.gz PMIHGEWKJXISQQ-CQSZACIVSA-N 0 0 304.418 5.101 20 30 DKEDRN C[C@H](SCc1cc(-c2ccccc2)on1)c1cccc(C#N)c1 ZINC000443145000 338445430 /nfs/dbraw/zinc/44/54/30/338445430.db2.gz MDTNIMFMNCRAFN-AWEZNQCLSA-N 0 0 320.417 5.208 20 30 DKEDRN C[C@@H](SCc1coc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000443146327 338445439 /nfs/dbraw/zinc/44/54/39/338445439.db2.gz LBACTQJGUSWJMA-CQSZACIVSA-N 0 0 320.417 5.208 20 30 DKEDRN C[C@H](SCc1ncc(-c2ccccc2)o1)c1cccc(C#N)c1 ZINC000443146507 338445438 /nfs/dbraw/zinc/44/54/38/338445438.db2.gz PUDHGANYPIATRA-AWEZNQCLSA-N 0 0 320.417 5.208 20 30 DKEDRN C[C@H](SCc1cc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000443150109 338445552 /nfs/dbraw/zinc/44/55/52/338445552.db2.gz ZBEGTKUDMZUJIX-AWEZNQCLSA-N 0 0 320.417 5.208 20 30 DKEDRN C[C@H](SCc1ncc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000443156699 338445620 /nfs/dbraw/zinc/44/56/20/338445620.db2.gz STPKXZMARKVCGY-JTQLQIEISA-N 0 0 323.248 5.254 20 30 DKEDRN C[C@H](S[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000443159505 338445721 /nfs/dbraw/zinc/44/57/21/338445721.db2.gz AUIWOPDHKKVXFE-STQMWFEESA-N 0 0 312.394 5.022 20 30 DKEDRN C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000443162713 338445731 /nfs/dbraw/zinc/44/57/31/338445731.db2.gz SWLPEMAVCUHMMW-STQMWFEESA-N 0 0 312.394 5.022 20 30 DKEDRN CC(=C\c1ccccc1C(F)(F)F)/C=C\c1ccc(C#N)cn1 ZINC000443442419 338451798 /nfs/dbraw/zinc/45/17/98/338451798.db2.gz CRMNHQRDHLDVJZ-WLPHGBIISA-N 0 0 314.310 5.089 20 30 DKEDRN CC(/C=C/c1ccc(C#N)cn1)=C\c1ccccc1C(F)(F)F ZINC000443442421 338451774 /nfs/dbraw/zinc/45/17/74/338451774.db2.gz CRMNHQRDHLDVJZ-YXBXOZLWSA-N 0 0 314.310 5.089 20 30 DKEDRN CC(C)(C#N)c1ccccc1CNc1cccc2ccsc21 ZINC000443459566 338452119 /nfs/dbraw/zinc/45/21/19/338452119.db2.gz GBPDKTORDKMRRH-UHFFFAOYSA-N 0 0 306.434 5.315 20 30 DKEDRN C=CCC[C@@H](C(=O)Nc1cc2[nH]ccc2cc1C)c1ccccc1 ZINC000444443260 338472687 /nfs/dbraw/zinc/47/26/87/338472687.db2.gz BAZHJKCXIBEGMN-GOSISDBHSA-N 0 0 318.420 5.165 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444451251 338473178 /nfs/dbraw/zinc/47/31/78/338473178.db2.gz SSTMNXCPWRUKOC-UHFFFAOYSA-N 0 0 322.433 5.007 20 30 DKEDRN C=CC[C@@H]1N(C(=O)Nc2c(C)cc(C)cc2C)CCCC1(C)C ZINC000444818411 338490134 /nfs/dbraw/zinc/49/01/34/338490134.db2.gz OFNMTQYEHYSZHT-KRWDZBQOSA-N 0 0 314.473 5.210 20 30 DKEDRN C=CC[C@H]1N(C(=O)Nc2c(C)cc(C)cc2C)CCCC1(C)C ZINC000444818412 338490149 /nfs/dbraw/zinc/49/01/49/338490149.db2.gz OFNMTQYEHYSZHT-QGZVFWFLSA-N 0 0 314.473 5.210 20 30 DKEDRN C=CCCCCCN(C)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000444952752 338492486 /nfs/dbraw/zinc/49/24/86/338492486.db2.gz ZNRJHUHBFIQZQR-UHFFFAOYSA-N 0 0 310.388 5.008 20 30 DKEDRN C=CC[C@H]1N(C(=O)Nc2ccsc2Cl)CCCC1(C)C ZINC000445160182 338495173 /nfs/dbraw/zinc/49/51/73/338495173.db2.gz SITJDLKJZPITRV-GFCCVEGCSA-N 0 0 312.866 5.000 20 30 DKEDRN C=CC[C@@H]1N(C(=O)Nc2ccsc2Cl)CCCC1(C)C ZINC000445160185 338495172 /nfs/dbraw/zinc/49/51/72/338495172.db2.gz SITJDLKJZPITRV-LBPRGKRZSA-N 0 0 312.866 5.000 20 30 DKEDRN C=CC[C@@H]1N(C(=O)Nc2c(C)cccc2Cl)CCCC1(C)C ZINC000445164230 338495159 /nfs/dbraw/zinc/49/51/59/338495159.db2.gz KBUGNVCWEOVZRS-HNNXBMFYSA-N 0 0 320.864 5.247 20 30 DKEDRN C=CC[C@H]1N(C(=O)Nc2c(C)cccc2Cl)CCCC1(C)C ZINC000445164231 338495183 /nfs/dbraw/zinc/49/51/83/338495183.db2.gz KBUGNVCWEOVZRS-OAHLLOKOSA-N 0 0 320.864 5.247 20 30 DKEDRN C=CC[C@@H]1N(C(=O)Nc2cccc(C(F)F)c2)CCCC1(C)C ZINC000445245189 333738162 /nfs/dbraw/zinc/73/81/62/333738162.db2.gz UBPRFGMVNNSZCL-HNNXBMFYSA-N 0 0 322.399 5.223 20 30 DKEDRN C=CC[C@H]1N(C(=O)Nc2cccc(C(F)F)c2)CCCC1(C)C ZINC000445245191 333738337 /nfs/dbraw/zinc/73/83/37/333738337.db2.gz UBPRFGMVNNSZCL-OAHLLOKOSA-N 0 0 322.399 5.223 20 30 DKEDRN CC[C@@H](c1ccc(Cl)cc1Cl)N1CCC(C)(C#N)CC1 ZINC000445415966 337683352 /nfs/dbraw/zinc/68/33/52/337683352.db2.gz GIEJTTOYLFLTGL-HNNXBMFYSA-N 0 0 311.256 5.070 20 30 DKEDRN CC[C@H](c1ccc(Cl)cc1Cl)N1CCC(C)(C#N)CC1 ZINC000445415967 337683370 /nfs/dbraw/zinc/68/33/70/337683370.db2.gz GIEJTTOYLFLTGL-OAHLLOKOSA-N 0 0 311.256 5.070 20 30 DKEDRN C=CCC[C@H](NC(=O)Nc1ccsc1Cl)c1ccccc1 ZINC000446476366 338528841 /nfs/dbraw/zinc/52/88/41/338528841.db2.gz IKWPNAXQEIAGLC-ZDUSSCGKSA-N 0 0 320.845 5.231 20 30 DKEDRN C=CCN(CC1CCCCC1)C(=O)Nc1ccsc1Cl ZINC000446478834 338528802 /nfs/dbraw/zinc/52/88/02/338528802.db2.gz ZGKTWCMETXHVBN-UHFFFAOYSA-N 0 0 312.866 5.002 20 30 DKEDRN CC(C)c1nc2ccccc2c(SCCCC(C)(C)C#N)n1 ZINC000447329386 338549949 /nfs/dbraw/zinc/54/99/49/338549949.db2.gz KCDVLCGMOZBHEJ-UHFFFAOYSA-N 0 0 313.470 5.175 20 30 DKEDRN C=CCCCCCNc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000447407031 338551968 /nfs/dbraw/zinc/55/19/68/338551968.db2.gz HBKNSHAMXOEACM-UHFFFAOYSA-N 0 0 302.462 5.138 20 30 DKEDRN CC[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)cc1 ZINC000447576310 338558324 /nfs/dbraw/zinc/55/83/24/338558324.db2.gz XUNBCJDBMRJMRW-KRWDZBQOSA-N 0 0 317.392 5.140 20 30 DKEDRN CC[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(C#N)cc1 ZINC000447576311 338558235 /nfs/dbraw/zinc/55/82/35/338558235.db2.gz XUNBCJDBMRJMRW-QGZVFWFLSA-N 0 0 317.392 5.140 20 30 DKEDRN CC[C@H](Nc1ccc(COC(C)C)cc1)c1ccc(C#N)cc1 ZINC000447578429 338558554 /nfs/dbraw/zinc/55/85/54/338558554.db2.gz FMEWHTJAILVYKK-FQEVSTJZSA-N 0 0 308.425 5.046 20 30 DKEDRN CC[C@@H](Nc1ccc(COC(C)C)cc1)c1ccc(C#N)cc1 ZINC000447578430 338558607 /nfs/dbraw/zinc/55/86/07/338558607.db2.gz FMEWHTJAILVYKK-HXUWFJFHSA-N 0 0 308.425 5.046 20 30 DKEDRN CC[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(C#N)cc1 ZINC000447579095 338558568 /nfs/dbraw/zinc/55/85/68/338558568.db2.gz IYXPVLXIMOMEIX-OAQYLSRUSA-N 0 0 320.436 5.048 20 30 DKEDRN CC[C@H](Nc1ccc(N2CCCC2)cc1C)c1ccc(C#N)cc1 ZINC000447582279 338559140 /nfs/dbraw/zinc/55/91/40/338559140.db2.gz YQNJQJAURPSNDW-FQEVSTJZSA-N 0 0 319.452 5.030 20 30 DKEDRN CC[C@@H](Nc1ccc(N2CCCC2)cc1C)c1ccc(C#N)cc1 ZINC000447582281 338559127 /nfs/dbraw/zinc/55/91/27/338559127.db2.gz YQNJQJAURPSNDW-HXUWFJFHSA-N 0 0 319.452 5.030 20 30 DKEDRN CCC(C)(C)OCc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1C ZINC000447588656 338559833 /nfs/dbraw/zinc/55/98/33/338559833.db2.gz VRVBEMUZCREMQC-AEFFLSMTSA-N 0 0 314.473 5.195 20 30 DKEDRN C=C(C)[C@@H](N[C@H](C)c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000447590335 338560084 /nfs/dbraw/zinc/56/00/84/338560084.db2.gz BUMAFBMDSBKSDZ-KZULUSFZSA-N 0 0 305.368 5.143 20 30 DKEDRN C=C(C)[C@H](N[C@@H](C)c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000447590336 338559989 /nfs/dbraw/zinc/55/99/89/338559989.db2.gz BUMAFBMDSBKSDZ-SGTLLEGYSA-N 0 0 305.368 5.143 20 30 DKEDRN CC[C@@H](Nc1cnn([C@@H](C)CC)c1C1CC1)c1ccc(C#N)cc1 ZINC000447596640 338560969 /nfs/dbraw/zinc/56/09/69/338560969.db2.gz QPNSOZNJYSLZIT-KBXCAEBGSA-N 0 0 322.456 5.166 20 30 DKEDRN CC[C@H](C)n1ncc(N[C@@H](CC)c2ccc(C#N)cc2)c1C1CC1 ZINC000447596642 338560968 /nfs/dbraw/zinc/56/09/68/338560968.db2.gz QPNSOZNJYSLZIT-KSSFIOAISA-N 0 0 322.456 5.166 20 30 DKEDRN CC[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(C#N)cc1 ZINC000447601020 338561553 /nfs/dbraw/zinc/56/15/53/338561553.db2.gz OMHUQCXZZUHKJI-QGZVFWFLSA-N 0 0 317.392 5.140 20 30 DKEDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c2ccccc21 ZINC000448034009 332304883 /nfs/dbraw/zinc/30/48/83/332304883.db2.gz ZKWIWVXGZSIPAN-UQIDSAAFSA-N 0 0 322.427 5.233 20 30 DKEDRN C=C[C@H](CC(=O)Nc1c(C)c(F)ccc1Cl)c1ccccc1 ZINC000448512129 338137876 /nfs/dbraw/zinc/13/78/76/338137876.db2.gz XQXWLBDTEWZDAO-CYBMUJFWSA-N 0 0 317.791 5.086 20 30 DKEDRN C=C[C@@H](CC(=O)Nc1c(C)c(F)ccc1Cl)c1ccccc1 ZINC000448512135 338137873 /nfs/dbraw/zinc/13/78/73/338137873.db2.gz XQXWLBDTEWZDAO-ZDUSSCGKSA-N 0 0 317.791 5.086 20 30 DKEDRN C=CC(C)(C)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000448857146 338577245 /nfs/dbraw/zinc/57/72/45/338577245.db2.gz PEPBAZCZTMYLJE-HNNXBMFYSA-N 0 0 308.425 5.010 20 30 DKEDRN C=CC(C)(C)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000448857147 338577320 /nfs/dbraw/zinc/57/73/20/338577320.db2.gz PEPBAZCZTMYLJE-OAHLLOKOSA-N 0 0 308.425 5.010 20 30 DKEDRN CC1(C#N)CCC(Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000449042988 338587216 /nfs/dbraw/zinc/58/72/16/338587216.db2.gz UZXQIKCGPHXQGM-UHFFFAOYSA-N 0 0 310.363 5.066 20 30 DKEDRN Cc1csc(-c2ccc(NC3CCC(C)(C#N)CC3)cc2)n1 ZINC000449050382 338588075 /nfs/dbraw/zinc/58/80/75/338588075.db2.gz OOAPYHUGTYYUII-UHFFFAOYSA-N 0 0 311.454 5.003 20 30 DKEDRN CC(C)c1cnc(-c2ccc(NC3CCC(C)(C#N)CC3)cc2)o1 ZINC000449056417 338589016 /nfs/dbraw/zinc/58/90/16/338589016.db2.gz PIKQVGDDDPHFTG-UHFFFAOYSA-N 0 0 323.440 5.349 20 30 DKEDRN C=CCC1(C(=O)Nc2cccc(-c3ncco3)c2C)CCCCC1 ZINC000452265361 338760899 /nfs/dbraw/zinc/76/08/99/338760899.db2.gz PAQCYOWOZDRYHS-UHFFFAOYSA-N 0 0 324.424 5.115 20 30 DKEDRN Cc1ccc(F)c(CNc2ccccc2S[C@@H](C)CC#N)c1 ZINC000453076901 338790928 /nfs/dbraw/zinc/79/09/28/338790928.db2.gz AHPAMYFKYQUWGT-AWEZNQCLSA-N 0 0 314.429 5.141 20 30 DKEDRN C[C@H](c1ccc(CNc2cccc(CC#N)c2)cc1)C(F)(F)F ZINC000453135448 338798152 /nfs/dbraw/zinc/79/81/52/338798152.db2.gz AQSBRJVMJQBEAB-CYBMUJFWSA-N 0 0 318.342 5.031 20 30 DKEDRN C[C@@H](c1ccc(CNc2cccc(CC#N)c2)cc1)C(F)(F)F ZINC000453135449 338798131 /nfs/dbraw/zinc/79/81/31/338798131.db2.gz AQSBRJVMJQBEAB-ZDUSSCGKSA-N 0 0 318.342 5.031 20 30 DKEDRN CC(C)(C#N)c1ccccc1CNc1ccccc1C(C)(F)F ZINC000453159765 338800976 /nfs/dbraw/zinc/80/09/76/338800976.db2.gz NWFZYXYRTRCEAA-UHFFFAOYSA-N 0 0 314.379 5.212 20 30 DKEDRN Cc1nc(-c2cccc(NC3CCC(C)(C#N)CC3)c2)cs1 ZINC000453179982 338803484 /nfs/dbraw/zinc/80/34/84/338803484.db2.gz QJOKJJGVOVEVBK-UHFFFAOYSA-N 0 0 311.454 5.003 20 30 DKEDRN C=CCCCCCN(C)C(=O)Nc1ccccc1C(C)(F)F ZINC000455806146 338909320 /nfs/dbraw/zinc/90/93/20/338909320.db2.gz LEWHUJMCFBXYRV-UHFFFAOYSA-N 0 0 310.388 5.008 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](CC)CC(F)F ZINC000457744367 338977118 /nfs/dbraw/zinc/97/71/18/338977118.db2.gz KGAGEEDDKBGEET-CYBMUJFWSA-N 0 0 309.400 5.158 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CC)CC(F)F ZINC000457744368 338977103 /nfs/dbraw/zinc/97/71/03/338977103.db2.gz KGAGEEDDKBGEET-ZDUSSCGKSA-N 0 0 309.400 5.158 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457748871 338977287 /nfs/dbraw/zinc/97/72/87/338977287.db2.gz NLAJZABZQINPCH-GFCCVEGCSA-N 0 0 313.363 5.066 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457748872 338977263 /nfs/dbraw/zinc/97/72/63/338977263.db2.gz NLAJZABZQINPCH-LBPRGKRZSA-N 0 0 313.363 5.066 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1CC(C)(C)C1 ZINC000459523216 339033912 /nfs/dbraw/zinc/03/39/12/339033912.db2.gz IVUKUBIJKUAVQD-UHFFFAOYSA-N 0 0 314.473 5.191 20 30 DKEDRN N#CCCC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459598511 339038072 /nfs/dbraw/zinc/03/80/72/339038072.db2.gz WTWLDXKUICFONE-NRFANRHFSA-N 0 0 304.437 5.089 20 30 DKEDRN N#CCCC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1 ZINC000459598519 339037907 /nfs/dbraw/zinc/03/79/07/339037907.db2.gz WTWLDXKUICFONE-OAQYLSRUSA-N 0 0 304.437 5.089 20 30 DKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)c1cscc1C#N ZINC000459806724 339049379 /nfs/dbraw/zinc/04/93/79/339049379.db2.gz CRZILVAJNDPXCV-UHFFFAOYSA-N 0 0 312.438 5.119 20 30 DKEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000460038593 339052105 /nfs/dbraw/zinc/05/21/05/339052105.db2.gz YFMWAGWSVIAHFE-MRVPVSSYSA-N 0 0 306.620 5.188 20 30 DKEDRN C=C(C)C[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000460038594 339052078 /nfs/dbraw/zinc/05/20/78/339052078.db2.gz YFMWAGWSVIAHFE-QMMMGPOBSA-N 0 0 306.620 5.188 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000460267984 339054123 /nfs/dbraw/zinc/05/41/23/339054123.db2.gz NVVKIBVXJLCFLV-UHFFFAOYSA-N 0 0 308.425 5.092 20 30 DKEDRN N#Cc1ccc(CSCc2ccc(C(F)F)cc2)c(F)c1 ZINC000460758447 333136806 /nfs/dbraw/zinc/13/68/06/333136806.db2.gz MISZUJGXVNTZCI-UHFFFAOYSA-N 0 0 307.340 5.068 20 30 DKEDRN N#Cc1cccc(CSCc2ccc(C(F)F)cc2)c1F ZINC000460768949 333138367 /nfs/dbraw/zinc/13/83/67/333138367.db2.gz NAMYNGADPQWNNO-UHFFFAOYSA-N 0 0 307.340 5.068 20 30 DKEDRN N#CCc1ccc(CSCc2ccc(C(F)F)cc2)cc1 ZINC000460778289 333139680 /nfs/dbraw/zinc/13/96/80/333139680.db2.gz PRGAHIXEBMQMHX-UHFFFAOYSA-N 0 0 303.377 5.124 20 30 DKEDRN N#Cc1ccc(F)c(CSCc2ccc(C(F)F)cc2)c1 ZINC000460779550 333140530 /nfs/dbraw/zinc/14/05/30/333140530.db2.gz DBONCNDXHMPRGX-UHFFFAOYSA-N 0 0 307.340 5.068 20 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324.449 5.087 20 30 DKEDRN Cc1ccc(Sc2ccc(NC(=O)CCCC#N)cc2)cc1C ZINC000461797177 339067278 /nfs/dbraw/zinc/06/72/78/339067278.db2.gz QHGUAOJCRVUAKJ-UHFFFAOYSA-N 0 0 324.449 5.087 20 30 DKEDRN Cc1cc(SC2CCCCC2)ccc1NC(=O)CCCC#N ZINC000462028721 339071004 /nfs/dbraw/zinc/07/10/04/339071004.db2.gz XSXFXOMESLPWBI-UHFFFAOYSA-N 0 0 316.470 5.052 20 30 DKEDRN Cc1c(CSC(C)C)cccc1NCc1ccc(C#N)cc1 ZINC000462171691 339073209 /nfs/dbraw/zinc/07/32/09/339073209.db2.gz PZTWBANQRWBLFK-UHFFFAOYSA-N 0 0 310.466 5.120 20 30 DKEDRN Cc1c(CSC(C)C)cccc1NCc1ccccc1C#N ZINC000462175024 339073324 /nfs/dbraw/zinc/07/33/24/339073324.db2.gz JAXMRXCQDURFMZ-UHFFFAOYSA-N 0 0 310.466 5.120 20 30 DKEDRN C[C@H](Sc1ccccc1)c1ccc(NC(=O)CCCC#N)cc1 ZINC000462205119 339074016 /nfs/dbraw/zinc/07/40/16/339074016.db2.gz XRBMYHNSFSVAGX-HNNXBMFYSA-N 0 0 324.449 5.172 20 30 DKEDRN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)CCCC#N)cc1 ZINC000462205120 339074058 /nfs/dbraw/zinc/07/40/58/339074058.db2.gz XRBMYHNSFSVAGX-OAHLLOKOSA-N 0 0 324.449 5.172 20 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C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000466310505 339199091 /nfs/dbraw/zinc/19/90/91/339199091.db2.gz YDXCVSGGMDSDBR-YOIRJEGESA-N 0 0 317.498 5.135 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1CCC ZINC000466340722 339199811 /nfs/dbraw/zinc/19/98/11/339199811.db2.gz WXTKPDUUNDODTH-UHFFFAOYSA-N 0 0 311.425 5.336 20 30 DKEDRN C=CC[C@H](CC)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000466409387 339203113 /nfs/dbraw/zinc/20/31/13/339203113.db2.gz XEXDGKJBZYSKJP-HNNXBMFYSA-N 0 0 302.462 5.410 20 30 DKEDRN C=CC[C@@H](CC)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000466409388 339203076 /nfs/dbraw/zinc/20/30/76/339203076.db2.gz XEXDGKJBZYSKJP-OAHLLOKOSA-N 0 0 302.462 5.410 20 30 DKEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000466425176 339204396 /nfs/dbraw/zinc/20/43/96/339204396.db2.gz JCJDAXFBIBNHOL-AWEZNQCLSA-N 0 0 305.487 5.177 20 30 DKEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000466425177 339204353 /nfs/dbraw/zinc/20/43/53/339204353.db2.gz JCJDAXFBIBNHOL-CQSZACIVSA-N 0 0 305.487 5.177 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315.457 5.054 20 30 DKEDRN C=CCC(CC=C)C(=O)N1CCCCC[C@H]1c1ccc(CC)o1 ZINC000467535754 339241257 /nfs/dbraw/zinc/24/12/57/339241257.db2.gz BFTOMCDRZGJUBH-SFHVURJKSA-N 0 0 315.457 5.054 20 30 DKEDRN N#Cc1cc(CNc2cccc(-c3cccs3)c2)ccc1F ZINC000467764479 339245969 /nfs/dbraw/zinc/24/59/69/339245969.db2.gz QGTCASBHPBWQPB-UHFFFAOYSA-N 0 0 308.381 5.038 20 30 DKEDRN C=CCC(CC=C)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000467813930 339247023 /nfs/dbraw/zinc/24/70/23/339247023.db2.gz PPKBLVROAHXZCF-NRFANRHFSA-N 0 0 319.448 5.272 20 30 DKEDRN C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000467813931 339247049 /nfs/dbraw/zinc/24/70/49/339247049.db2.gz PPKBLVROAHXZCF-OAQYLSRUSA-N 0 0 319.448 5.272 20 30 DKEDRN C=CCC(CC=C)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000467822406 339246954 /nfs/dbraw/zinc/24/69/54/339246954.db2.gz AVXQSCVKKLEEJY-HNNXBMFYSA-N 0 0 311.425 5.111 20 30 DKEDRN C=CCC(CC=C)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000467822407 339247035 /nfs/dbraw/zinc/24/70/35/339247035.db2.gz 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339372033 /nfs/dbraw/zinc/37/20/33/339372033.db2.gz JAVLMPGUOWMPFY-LBPRGKRZSA-N 0 0 313.272 5.316 20 30 DKEDRN C=CCCCCNC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000473492355 339386330 /nfs/dbraw/zinc/38/63/30/339386330.db2.gz OEGBHFHNAPAQFC-UHFFFAOYSA-N 0 0 302.462 5.411 20 30 DKEDRN C[C@@H](CC#N)Sc1ccccc1NCCCCOC(C)(C)C ZINC000473667034 339389856 /nfs/dbraw/zinc/38/98/56/339389856.db2.gz ZQBTZRWYHVOLIA-HNNXBMFYSA-N 0 0 320.502 5.088 20 30 DKEDRN C[C@H](CC#N)Sc1ccccc1NCCCCOC(C)(C)C ZINC000473667039 339389474 /nfs/dbraw/zinc/38/94/74/339389474.db2.gz ZQBTZRWYHVOLIA-OAHLLOKOSA-N 0 0 320.502 5.088 20 30 DKEDRN CC(C)(C)OCCCCSCc1ccccc1C(C)(C)C#N ZINC000473778311 339391848 /nfs/dbraw/zinc/39/18/48/339391848.db2.gz KCVXYGNAWBNGBQ-UHFFFAOYSA-N 0 0 319.514 5.316 20 30 DKEDRN CC(C)(C)OCCCCSCc1ccc(C#N)cc1Cl ZINC000473780009 339391793 /nfs/dbraw/zinc/39/17/93/339391793.db2.gz HMLGVOWCHVZAPT-UHFFFAOYSA-N 0 0 311.878 5.040 20 30 DKEDRN CC(C)(C)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1 ZINC000474099024 339402322 /nfs/dbraw/zinc/40/23/22/339402322.db2.gz UCMYLBYXRIMCGZ-KRWDZBQOSA-N 0 0 320.436 5.010 20 30 DKEDRN C[C@H](Nc1ccc(CC#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474937501 339432266 /nfs/dbraw/zinc/43/22/66/339432266.db2.gz VOAAOSJVHZBMFQ-TUKIKUTGSA-N 0 0 316.857 5.072 20 30 DKEDRN C[C@H](C#N)CSc1ccccc1NCc1ccc(Cl)s1 ZINC000475038508 339436478 /nfs/dbraw/zinc/43/64/78/339436478.db2.gz KWEPQPRWOOTZFW-LLVKDONJSA-N 0 0 322.886 5.265 20 30 DKEDRN C[C@@H](C#N)CSc1ccccc1NCc1ccc(Cl)s1 ZINC000475038509 339436348 /nfs/dbraw/zinc/43/63/48/339436348.db2.gz KWEPQPRWOOTZFW-NSHDSACASA-N 0 0 322.886 5.265 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(CCCC)C1CC1 ZINC000475549680 339454600 /nfs/dbraw/zinc/45/46/00/339454600.db2.gz UDQLVTYGDQPNNR-UHFFFAOYSA-N 0 0 314.473 5.335 20 30 DKEDRN C=CCCCCNC(=O)Nc1c(CC=C)cccc1C(C)C ZINC000475550106 339454843 /nfs/dbraw/zinc/45/48/43/339454843.db2.gz NTEICODQOPIJRA-UHFFFAOYSA-N 0 0 300.446 5.016 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)[C@H](C)CC ZINC000475550558 339454750 /nfs/dbraw/zinc/45/47/50/339454750.db2.gz ONWVCQZFXNPYDJ-CABCVRRESA-N 0 0 302.462 5.095 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@H](C)CC ZINC000475550560 339454743 /nfs/dbraw/zinc/45/47/43/339454743.db2.gz ONWVCQZFXNPYDJ-HUUCEWRRSA-N 0 0 302.462 5.095 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)[C@@H](C)CC ZINC000475550561 339454758 /nfs/dbraw/zinc/45/47/58/339454758.db2.gz ONWVCQZFXNPYDJ-LSDHHAIUSA-N 0 0 302.462 5.095 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C(C)C)CC1 ZINC000475551562 339454755 /nfs/dbraw/zinc/45/47/55/339454755.db2.gz KKZZMLIARUTNPS-UHFFFAOYSA-N 0 0 314.473 5.096 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccccc1 ZINC000475551793 339454742 /nfs/dbraw/zinc/45/47/42/339454742.db2.gz YVKOEJJPQZSITN-INIZCTEOSA-N 0 0 322.452 5.421 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C)(C)CC1 ZINC000475551969 339454761 /nfs/dbraw/zinc/45/47/61/339454761.db2.gz VWXFUSPVCSSKPS-UHFFFAOYSA-N 0 0 314.473 5.192 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@](C)(CC)C1 ZINC000475552374 339454759 /nfs/dbraw/zinc/45/47/59/339454759.db2.gz LVHAYJICSIVLRB-FQEVSTJZSA-N 0 0 314.473 5.192 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CCC ZINC000475552526 339454754 /nfs/dbraw/zinc/45/47/54/339454754.db2.gz ZPYHFWSYCKYDGJ-HNNXBMFYSA-N 0 0 302.462 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)CC1(C)C ZINC000475553339 339454753 /nfs/dbraw/zinc/45/47/53/339454753.db2.gz UMTJEBQINOCWBR-HNNXBMFYSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000475556778 339455087 /nfs/dbraw/zinc/45/50/87/339455087.db2.gz SOCXYPYCOVGMRO-INIZCTEOSA-N 0 0 314.473 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(O)cc1C ZINC000475556965 339455059 /nfs/dbraw/zinc/45/50/59/339455059.db2.gz VKAXJIJKDRCPMO-UHFFFAOYSA-N 0 0 324.424 5.197 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCCCC(C)C ZINC000475557371 339455048 /nfs/dbraw/zinc/45/50/48/339455048.db2.gz AMAFWIBJBRKGOH-UHFFFAOYSA-N 0 0 302.462 5.096 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(C)C ZINC000475557379 339455069 /nfs/dbraw/zinc/45/50/69/339455069.db2.gz ANZFIPTVARVINU-GOSISDBHSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(C)C ZINC000475557380 339455180 /nfs/dbraw/zinc/45/51/80/339455180.db2.gz ANZFIPTVARVINU-SFHVURJKSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H](C)CC[C@H]1CC ZINC000475565850 339455674 /nfs/dbraw/zinc/45/56/74/339455674.db2.gz QRMVDILOYODRQO-NVXWUHKLSA-N 0 0 314.473 5.333 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H](C)CC[C@@H]1CC ZINC000475565854 339455667 /nfs/dbraw/zinc/45/56/67/339455667.db2.gz QRMVDILOYODRQO-WBVHZDCISA-N 0 0 314.473 5.333 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CCC1CC1 ZINC000475567752 339455839 /nfs/dbraw/zinc/45/58/39/339455839.db2.gz YDHJVLSWJZEUJH-HNNXBMFYSA-N 0 0 314.473 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CCC1CC1 ZINC000475567753 339455781 /nfs/dbraw/zinc/45/57/81/339455781.db2.gz YDHJVLSWJZEUJH-OAHLLOKOSA-N 0 0 314.473 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccccc1 ZINC000475567828 339455838 /nfs/dbraw/zinc/45/58/38/339455838.db2.gz YVKOEJJPQZSITN-MRXNPFEDSA-N 0 0 322.452 5.421 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCC1(C)C ZINC000475568661 339455767 /nfs/dbraw/zinc/45/57/67/339455767.db2.gz DVHAFCKLGYFGQG-KRWDZBQOSA-N 0 0 314.473 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCC1(C)C ZINC000475568663 339455813 /nfs/dbraw/zinc/45/58/13/339455813.db2.gz DVHAFCKLGYFGQG-QGZVFWFLSA-N 0 0 314.473 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(CC)CC ZINC000475569145 339455873 /nfs/dbraw/zinc/45/58/73/339455873.db2.gz GEKUVTRLTXBRON-UHFFFAOYSA-N 0 0 302.462 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C)c1 ZINC000475569681 339455872 /nfs/dbraw/zinc/45/58/72/339455872.db2.gz HEMFDZPBVBBUOM-UHFFFAOYSA-N 0 0 322.452 5.169 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CC(C)C ZINC000475572011 339456134 /nfs/dbraw/zinc/45/61/34/339456134.db2.gz IFQZTQBTYRPPLB-HNNXBMFYSA-N 0 0 302.462 5.095 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CC(C)C ZINC000475572012 339456099 /nfs/dbraw/zinc/45/60/99/339456099.db2.gz IFQZTQBTYRPPLB-OAHLLOKOSA-N 0 0 302.462 5.095 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1cscc1C ZINC000475572413 339456110 /nfs/dbraw/zinc/45/61/10/339456110.db2.gz YEELOHPVFHEXNM-UHFFFAOYSA-N 0 0 314.454 5.552 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)CCC ZINC000475573243 339456118 /nfs/dbraw/zinc/45/61/18/339456118.db2.gz LDSONFVPFAVPGH-MRXNPFEDSA-N 0 0 302.462 5.239 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(C)cc1 ZINC000475575139 339456271 /nfs/dbraw/zinc/45/62/71/339456271.db2.gz QFRRFZPRSVXQSS-UHFFFAOYSA-N 0 0 308.425 5.491 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC=CCC1 ZINC000475575248 339456234 /nfs/dbraw/zinc/45/62/34/339456234.db2.gz ZMDSMVZIOXKFLS-INIZCTEOSA-N 0 0 312.457 5.016 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)C[C@H]1CC ZINC000475578155 339456453 /nfs/dbraw/zinc/45/64/53/339456453.db2.gz MMUPHGJMFFUXTC-DOTOQJQBSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000475578157 339456461 /nfs/dbraw/zinc/45/64/61/339456461.db2.gz MMUPHGJMFFUXTC-RDJZCZTQSA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)C[C@@H]1CC ZINC000475578158 339456448 /nfs/dbraw/zinc/45/64/48/339456448.db2.gz MMUPHGJMFFUXTC-WBVHZDCISA-N 0 0 314.473 5.191 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C ZINC000475579651 339456444 /nfs/dbraw/zinc/45/64/44/339456444.db2.gz BVMASNQCLGZPEP-UHFFFAOYSA-N 0 0 322.452 5.169 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C)cc1 ZINC000475582929 339456494 /nfs/dbraw/zinc/45/64/94/339456494.db2.gz UXFVXTGXRKCSJR-UHFFFAOYSA-N 0 0 322.452 5.169 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@H](C)C(C)C ZINC000475584767 339456621 /nfs/dbraw/zinc/45/66/21/339456621.db2.gz ZUISTXFWNKTJNK-MRXNPFEDSA-N 0 0 316.489 5.437 20 30 DKEDRN Cc1sc2nc(C)nc(SCCCC(C)(C)C#N)c2c1C ZINC000475941863 339465478 /nfs/dbraw/zinc/46/54/78/339465478.db2.gz VNSAFSISPYJWNU-UHFFFAOYSA-N 0 0 319.499 5.039 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000476076304 339468652 /nfs/dbraw/zinc/46/86/52/339468652.db2.gz BAXNWDFSCBIKRH-UHFFFAOYSA-N 0 0 321.464 5.914 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC1CCCC1 ZINC000476084850 339468995 /nfs/dbraw/zinc/46/89/95/339468995.db2.gz PTEYWQFWJWDCJF-INIZCTEOSA-N 0 0 313.485 5.693 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)C(C)(C)C ZINC000476087982 339469100 /nfs/dbraw/zinc/46/91/00/339469100.db2.gz CYSJGDHCSPZIDO-HNNXBMFYSA-N 0 0 301.474 5.549 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C(C)(C)C ZINC000476087983 339469061 /nfs/dbraw/zinc/46/90/61/339469061.db2.gz CYSJGDHCSPZIDO-OAHLLOKOSA-N 0 0 301.474 5.549 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CC(C)C ZINC000476088852 339469214 /nfs/dbraw/zinc/46/92/14/339469214.db2.gz HYUZPFHYLBJICB-INIZCTEOSA-N 0 0 301.474 5.549 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000476090776 339469211 /nfs/dbraw/zinc/46/92/11/339469211.db2.gz MCDNYJQXPOUNAY-QGZVFWFLSA-N 0 0 313.485 5.693 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000476091905 339469267 /nfs/dbraw/zinc/46/92/67/339469267.db2.gz PNDVAEUCPDINJD-HNNXBMFYSA-N 0 0 301.474 5.549 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(CCC)cc1 ZINC000476106660 339469581 /nfs/dbraw/zinc/46/95/81/339469581.db2.gz GJPXPINOPFYYNJ-UHFFFAOYSA-N 0 0 321.464 5.743 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000476118020 339469842 /nfs/dbraw/zinc/46/98/42/339469842.db2.gz LBRVRWZMGWPDGH-KRWDZBQOSA-N 0 0 321.464 5.589 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCCC2 ZINC000476120027 339469860 /nfs/dbraw/zinc/46/98/60/339469860.db2.gz AZJDORRUNDAVEP-SFHVURJKSA-N 0 0 311.469 5.447 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCCC(C)(C)C ZINC000476121584 339469895 /nfs/dbraw/zinc/46/98/95/339469895.db2.gz OOCKPKIYOCCSGO-UHFFFAOYSA-N 0 0 301.474 5.693 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1c(F)cccc1F ZINC000476124688 339470014 /nfs/dbraw/zinc/47/00/14/339470014.db2.gz WKYJSLBDQNTYDT-UHFFFAOYSA-N 0 0 315.363 5.069 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)c1ccsc1 ZINC000476124862 339469975 /nfs/dbraw/zinc/46/99/75/339469975.db2.gz YSAILJXOELQLQL-AWEZNQCLSA-N 0 0 313.466 5.342 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)c1ccsc1 ZINC000476124863 339469974 /nfs/dbraw/zinc/46/99/74/339469974.db2.gz YSAILJXOELQLQL-CQSZACIVSA-N 0 0 313.466 5.342 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)C1CCC(C)(C)CC1 ZINC000476128353 339469982 /nfs/dbraw/zinc/46/99/82/339469982.db2.gz CBUFGPRHSYTZGN-UHFFFAOYSA-N 0 0 313.485 5.693 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCCC(F)(F)F ZINC000476141195 339470171 /nfs/dbraw/zinc/47/01/71/339470171.db2.gz HPRNLBCCXUPMBG-UHFFFAOYSA-N 0 0 313.363 5.210 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(C)C)nc1 ZINC000476143869 339470159 /nfs/dbraw/zinc/47/01/59/339470159.db2.gz KHJGQHLMXLIVNW-UHFFFAOYSA-N 0 0 322.452 5.309 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CCC)C(C)C ZINC000476158859 339470356 /nfs/dbraw/zinc/47/03/56/339470356.db2.gz ROQIQEVEFDNJAH-SFHVURJKSA-N 0 0 301.474 5.549 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccc(C)cc1 ZINC000476165384 339470510 /nfs/dbraw/zinc/47/05/10/339470510.db2.gz SWXKFQRWHDYASI-UHFFFAOYSA-N 0 0 321.464 5.418 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000476170720 339470576 /nfs/dbraw/zinc/47/05/76/339470576.db2.gz XOSKTEXQGYSPGW-VQFNDLOPSA-N 0 0 313.485 5.549 20 30 DKEDRN CC(C)(C#N)CCCSCc1ccccc1Br ZINC000476469841 339476903 /nfs/dbraw/zinc/47/69/03/339476903.db2.gz GIJQWECGVAIINK-UHFFFAOYSA-N 0 0 312.276 5.012 20 30 DKEDRN CC(C)(C#N)CCCSc1ncc(C(F)(F)F)cc1Cl ZINC000476481066 339476906 /nfs/dbraw/zinc/47/69/06/339476906.db2.gz KCORIPKRKJHZLK-UHFFFAOYSA-N 0 0 322.783 5.176 20 30 DKEDRN C[C@H](CC(C)(C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000476519374 339477872 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/nfs/dbraw/zinc/71/22/03/339712203.db2.gz FHMZRMRKGJPRNH-UHFFFAOYSA-N 0 0 311.450 5.170 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1F ZINC000485757357 339712183 /nfs/dbraw/zinc/71/21/83/339712183.db2.gz MQTRFFWZQGLORV-UHFFFAOYSA-N 0 0 321.804 5.010 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1ccc(C)cc1Cl ZINC000485758750 339712365 /nfs/dbraw/zinc/71/23/65/339712365.db2.gz WUZAIYHTVZXBBI-UHFFFAOYSA-N 0 0 317.841 5.179 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1F ZINC000485758889 339712319 /nfs/dbraw/zinc/71/23/19/339712319.db2.gz RGTODCLIROWUEL-UHFFFAOYSA-N 0 0 321.804 5.010 20 30 DKEDRN C[C@@H](CC#N)Sc1ccccc1NCc1ccc2c(c1)CCC2 ZINC000486051769 339719319 /nfs/dbraw/zinc/71/93/19/339719319.db2.gz LSEPWSIKQSBWNL-HNNXBMFYSA-N 0 0 322.477 5.182 20 30 DKEDRN C[C@H](CC#N)Sc1ccccc1NCc1ccc2c(c1)CCC2 ZINC000486051777 339719320 /nfs/dbraw/zinc/71/93/20/339719320.db2.gz LSEPWSIKQSBWNL-OAHLLOKOSA-N 0 0 322.477 5.182 20 30 DKEDRN Cc1ccc(CCNc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000486055509 339719423 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ZINC000487650654 339760396 /nfs/dbraw/zinc/76/03/96/339760396.db2.gz IMFXVLDYVYXTPV-MRXNPFEDSA-N 0 0 311.450 5.097 20 30 DKEDRN C=CCC[C@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000488709449 339790990 /nfs/dbraw/zinc/79/09/90/339790990.db2.gz BKSYPXDFTKIWOX-KRWDZBQOSA-N 0 0 315.363 5.313 20 30 DKEDRN CC(C)(C#N)c1ccccc1CSc1ccnc2ccccc21 ZINC000488817035 339794273 /nfs/dbraw/zinc/79/42/73/339794273.db2.gz DIFYTVSPBFPYCV-UHFFFAOYSA-N 0 0 318.445 5.328 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1C=C ZINC000489087529 339801708 /nfs/dbraw/zinc/80/17/08/339801708.db2.gz IWNOZFXXBPCZMR-KRWDZBQOSA-N 0 0 312.457 5.111 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1C=C ZINC000489087530 339801713 /nfs/dbraw/zinc/80/17/13/339801713.db2.gz IWNOZFXXBPCZMR-QGZVFWFLSA-N 0 0 312.457 5.111 20 30 DKEDRN C=C[C@H]1CCCCN1C(=O)Nc1c(CCC)cccc1C(C)C ZINC000489087595 339801692 /nfs/dbraw/zinc/80/16/92/339801692.db2.gz JMLODCCJJQWWCO-KRWDZBQOSA-N 0 0 314.473 5.335 20 30 DKEDRN 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340613910 /nfs/dbraw/zinc/61/39/10/340613910.db2.gz FVXFRKMUEADBCT-HNNXBMFYSA-N 0 0 320.502 5.316 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000523024949 340613906 /nfs/dbraw/zinc/61/39/06/340613906.db2.gz FVXFRKMUEADBCT-OAHLLOKOSA-N 0 0 320.502 5.316 20 30 DKEDRN CC(C)(C)CCC(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000523103964 340615551 /nfs/dbraw/zinc/61/55/51/340615551.db2.gz SEFLHCDBFMWWFX-UHFFFAOYSA-N 0 0 312.438 5.052 20 30 DKEDRN Cc1cccc(C)c1CNc1ccccc1S[C@@H](C)CC#N ZINC000523127676 340616192 /nfs/dbraw/zinc/61/61/92/340616192.db2.gz XQZVUEGAYIUEJY-INIZCTEOSA-N 0 0 310.466 5.310 20 30 DKEDRN C=CCCC(=O)N(CCC)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000523272918 340618453 /nfs/dbraw/zinc/61/84/53/340618453.db2.gz MEKAJOVHEPXABP-GFCCVEGCSA-N 0 0 314.256 5.259 20 30 DKEDRN C=CCCC(=O)N[C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000523501323 340626834 /nfs/dbraw/zinc/62/68/34/340626834.db2.gz UYDNPYUBRTXOGG-AWEZNQCLSA-N 0 0 313.828 5.150 20 30 DKEDRN C=CCCC(=O)N[C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000523501324 340626782 /nfs/dbraw/zinc/62/67/82/340626782.db2.gz UYDNPYUBRTXOGG-CQSZACIVSA-N 0 0 313.828 5.150 20 30 DKEDRN C=CCCSCc1csc(-c2ccc(OCC)cc2)n1 ZINC000523520521 340627674 /nfs/dbraw/zinc/62/76/74/340627674.db2.gz VDSGIHLBNVXUDV-UHFFFAOYSA-N 0 0 305.468 5.018 20 30 DKEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)C1CCCCCC1 ZINC000523870199 340643359 /nfs/dbraw/zinc/64/33/59/340643359.db2.gz WAMWNBIUGQHHOF-UHFFFAOYSA-N 0 0 324.449 5.196 20 30 DKEDRN C[C@H](SCc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000524065220 340646738 /nfs/dbraw/zinc/64/67/38/340646738.db2.gz LOWQEETWQTVJMJ-LBPRGKRZSA-N 0 0 319.376 5.154 20 30 DKEDRN N#C[C@H](Sc1nc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000524532473 340656565 /nfs/dbraw/zinc/65/65/65/340656565.db2.gz WAUKBMLNZYRVBR-AWEZNQCLSA-N 0 0 306.818 5.046 20 30 DKEDRN N#C[C@H](Sc1nc2ccc(Cl)cc2o1)C1CCCCC1 ZINC000524534456 340656669 /nfs/dbraw/zinc/65/66/69/340656669.db2.gz UXNBUBTUZJVQLB-AWEZNQCLSA-N 0 0 306.818 5.046 20 30 DKEDRN CC(C)CCc1nc(CSc2ccc(C#N)cc2F)cs1 ZINC000524987755 340686375 /nfs/dbraw/zinc/68/63/75/340686375.db2.gz IABSUDJBNDVPSY-UHFFFAOYSA-N 0 0 320.458 5.035 20 30 DKEDRN N#Cc1ccccc1SCc1ccccc1Oc1cccnc1 ZINC000525083455 340689265 /nfs/dbraw/zinc/68/92/65/340689265.db2.gz IAKKPOADYPDVOY-UHFFFAOYSA-N 0 0 318.401 5.038 20 30 DKEDRN C[C@H]1CCC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 ZINC000525559415 331952733 /nfs/dbraw/zinc/95/27/33/331952733.db2.gz PMOVGJWBAFDSLV-DZGCQCFKSA-N 0 0 324.449 5.052 20 30 DKEDRN C[C@@H]1CCC[C@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 ZINC000525559416 331952622 /nfs/dbraw/zinc/95/26/22/331952622.db2.gz PMOVGJWBAFDSLV-HIFRSBDPSA-N 0 0 324.449 5.052 20 30 DKEDRN C[C@@H]1CCC[C@@H](C(=O)Nc2sc(-c3ccccc3)cc2C#N)C1 ZINC000525559417 331952716 /nfs/dbraw/zinc/95/27/16/331952716.db2.gz PMOVGJWBAFDSLV-UKRRQHHQSA-N 0 0 324.449 5.052 20 30 DKEDRN C[C@@H](Sc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000525629939 332345858 /nfs/dbraw/zinc/34/58/58/332345858.db2.gz TYKZZDOJYBKPAT-GFCCVEGCSA-N 0 0 324.380 5.206 20 30 DKEDRN C[C@H](Sc1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000525629940 332345975 /nfs/dbraw/zinc/34/59/75/332345975.db2.gz TYKZZDOJYBKPAT-LBPRGKRZSA-N 0 0 324.380 5.206 20 30 DKEDRN N#Cc1ccc(SCc2ccccc2C(F)(F)F)c(F)c1 ZINC000525630015 332345883 /nfs/dbraw/zinc/34/58/83/332345883.db2.gz VBSGFUWZIZECRQ-UHFFFAOYSA-N 0 0 311.303 5.008 20 30 DKEDRN CC(C)c1ccc(C(=O)[C@H](C)Sc2ccc(C#N)cc2)cc1 ZINC000525631626 332356691 /nfs/dbraw/zinc/35/66/91/332356691.db2.gz SIUYIMOGRNZZPI-AWEZNQCLSA-N 0 0 309.434 5.045 20 30 DKEDRN CC(C)c1ccc(C(=O)[C@@H](C)Sc2ccc(C#N)cc2)cc1 ZINC000525631627 332356722 /nfs/dbraw/zinc/35/67/22/332356722.db2.gz SIUYIMOGRNZZPI-CQSZACIVSA-N 0 0 309.434 5.045 20 30 DKEDRN C[C@@H](Sc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000525758008 333235900 /nfs/dbraw/zinc/23/59/00/333235900.db2.gz YFOJRNJPFQMUQL-LLVKDONJSA-N 0 0 305.349 5.013 20 30 DKEDRN C[C@H](Sc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000525758009 333235788 /nfs/dbraw/zinc/23/57/88/333235788.db2.gz YFOJRNJPFQMUQL-NSHDSACASA-N 0 0 305.349 5.013 20 30 DKEDRN C[C@@H](SCc1ccc2ncccc2c1)c1cccc(C#N)c1 ZINC000527198019 337737603 /nfs/dbraw/zinc/73/76/03/337737603.db2.gz SDVKZXNVRCQCQC-CQSZACIVSA-N 0 0 304.418 5.101 20 30 DKEDRN CC[C@@H](Nc1cccc(C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000527992673 337778454 /nfs/dbraw/zinc/77/84/54/337778454.db2.gz BGXDUJWAFKFZST-OAQYLSRUSA-N 0 0 320.436 5.015 20 30 DKEDRN C=CCC[C@H](Nc1cccc(C2CCOCC2)c1)c1ccco1 ZINC000527995236 337778667 /nfs/dbraw/zinc/77/86/67/337778667.db2.gz NAJFXKITUBKGEN-IBGZPJMESA-N 0 0 311.425 5.293 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)c1ccco1 ZINC000529137247 340745876 /nfs/dbraw/zinc/74/58/76/340745876.db2.gz QELZPXSBQJIFEJ-HNNXBMFYSA-N 0 0 311.425 5.264 20 30 DKEDRN Cc1nc2cc(Cl)c(NCCCC(C)(C)C#N)cc2s1 ZINC000530372874 340789813 /nfs/dbraw/zinc/78/98/13/340789813.db2.gz DNZPXGUNGRJMFK-UHFFFAOYSA-N 0 0 307.850 5.000 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)cc1OC ZINC000530508353 331501976 /nfs/dbraw/zinc/50/19/76/331501976.db2.gz WXLDAPYBJAABGJ-UHFFFAOYSA-N 0 0 323.436 5.108 20 30 DKEDRN C=CCCCC(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC000530649847 331615047 /nfs/dbraw/zinc/61/50/47/331615047.db2.gz XKBJUMBLJGDIGT-UHFFFAOYSA-N 0 0 322.433 5.317 20 30 DKEDRN CCC(C)(C)OCc1cccc(NCc2cccc(C#N)c2)c1C ZINC000530686510 331618661 /nfs/dbraw/zinc/61/86/61/331618661.db2.gz ADFNYNRAQTVDME-UHFFFAOYSA-N 0 0 322.452 5.184 20 30 DKEDRN Cc1c(COC(C)(C)C)cccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000531336787 333344667 /nfs/dbraw/zinc/34/46/67/333344667.db2.gz SAKYFGAJSGZDRE-INIZCTEOSA-N 0 0 322.452 5.355 20 30 DKEDRN Cc1c(COC(C)(C)C)cccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000531336788 333344722 /nfs/dbraw/zinc/34/47/22/333344722.db2.gz SAKYFGAJSGZDRE-MRXNPFEDSA-N 0 0 322.452 5.355 20 30 DKEDRN Cc1c(CSC(C)C)cccc1NCCCC(C)(C)C#N ZINC000531648080 333541396 /nfs/dbraw/zinc/54/13/96/333541396.db2.gz VXIWHXICMXFJSH-UHFFFAOYSA-N 0 0 304.503 5.379 20 30 DKEDRN C[C@@H](Oc1ccccc1NCCCC(C)(C)C#N)c1ccccc1 ZINC000531648180 333541340 /nfs/dbraw/zinc/54/13/40/333541340.db2.gz OKWHHCCCPYRHEQ-QGZVFWFLSA-N 0 0 322.452 5.568 20 30 DKEDRN Cc1c(COc2ccccc2)cccc1NCCCC(C)(C)C#N ZINC000531902757 334280346 /nfs/dbraw/zinc/28/03/46/334280346.db2.gz FXTSLWPZXYBDNB-UHFFFAOYSA-N 0 0 322.452 5.316 20 30 DKEDRN CC(C)(C#N)CCCNc1cccc(COC2CCCCC2)c1 ZINC000531903175 334280688 /nfs/dbraw/zinc/28/06/88/334280688.db2.gz MPDCYTUYXXPOIN-UHFFFAOYSA-N 0 0 314.473 5.278 20 30 DKEDRN C[C@@H](SCCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000531945474 334300735 /nfs/dbraw/zinc/30/07/35/334300735.db2.gz GFOOPLVDOPKDBU-LLVKDONJSA-N 0 0 303.349 5.073 20 30 DKEDRN C[C@H](SCCCCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000531945475 334300771 /nfs/dbraw/zinc/30/07/71/334300771.db2.gz GFOOPLVDOPKDBU-NSHDSACASA-N 0 0 303.349 5.073 20 30 DKEDRN N#CCCCCSC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000531946271 334304604 /nfs/dbraw/zinc/30/46/04/334304604.db2.gz CJCGPDIQYLGYFG-UHFFFAOYSA-N 0 0 317.404 5.481 20 30 DKEDRN CN(Cc1ccccc1)c1ccccc1NCCCC(C)(C)C#N ZINC000532042948 334383184 /nfs/dbraw/zinc/38/31/84/334383184.db2.gz VVTYQFYANYXYIP-UHFFFAOYSA-N 0 0 321.468 5.065 20 30 DKEDRN CC(C)c1nc2ccc(NCCCC(C)(C)C#N)cc2s1 ZINC000532413681 336245662 /nfs/dbraw/zinc/24/56/62/336245662.db2.gz HBSPVWMUTWNKCG-UHFFFAOYSA-N 0 0 301.459 5.162 20 30 DKEDRN CC(C)(C#N)CCCNc1ccccc1COc1ccccc1 ZINC000532413944 336245696 /nfs/dbraw/zinc/24/56/96/336245696.db2.gz XNYHJDWIYKTUOP-UHFFFAOYSA-N 0 0 308.425 5.007 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000532505930 336252650 /nfs/dbraw/zinc/25/26/50/336252650.db2.gz LEETXOBTOPMBDY-UHFFFAOYSA-N 0 0 318.486 5.151 20 30 DKEDRN CC(C)(CCC#N)CNc1cccc(COC2CCCCC2)c1 ZINC000532728278 336267799 /nfs/dbraw/zinc/26/77/99/336267799.db2.gz QOMIMPUHHHBZHD-UHFFFAOYSA-N 0 0 314.473 5.278 20 30 DKEDRN CCCCn1ccnc1-c1cccc(NCC(C)(C)CCC#N)c1 ZINC000532741674 336268957 /nfs/dbraw/zinc/26/89/57/336268957.db2.gz PRAAEPRRHRDKLM-UHFFFAOYSA-N 0 0 324.472 5.092 20 30 DKEDRN C[C@H](Sc1ccc(C#N)cc1Cl)c1ncc(C(C)(C)C)o1 ZINC000532856310 336273161 /nfs/dbraw/zinc/27/31/61/336273161.db2.gz QFFAGRFSMYOCTG-JTQLQIEISA-N 0 0 320.845 5.350 20 30 DKEDRN C[C@@H](Sc1ccc(C#N)cc1Cl)c1ncc(C(C)(C)C)o1 ZINC000532856311 336273163 /nfs/dbraw/zinc/27/31/63/336273163.db2.gz QFFAGRFSMYOCTG-SNVBAGLBSA-N 0 0 320.845 5.350 20 30 DKEDRN N#CCCCOc1cccc(CNc2cccc3ccsc32)c1 ZINC000533563167 331583796 /nfs/dbraw/zinc/58/37/96/331583796.db2.gz QMDHYKKNHPQPII-UHFFFAOYSA-N 0 0 322.433 5.196 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(C)cc1)c1ccccc1 ZINC000533888266 332287245 /nfs/dbraw/zinc/28/72/45/332287245.db2.gz AEHWJMPYYWMMSK-GHTZIAJQSA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@H](CC(=O)N1CCC[C@H]1c1ccc(C)cc1)c1ccccc1 ZINC000533888277 332287256 /nfs/dbraw/zinc/28/72/56/332287256.db2.gz AEHWJMPYYWMMSK-NQIIRXRSSA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(C)cc1)c1ccccc1 ZINC000533888279 332287264 /nfs/dbraw/zinc/28/72/64/332287264.db2.gz AEHWJMPYYWMMSK-RXVVDRJESA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C)cc1)c1ccccc1 ZINC000533888280 332287244 /nfs/dbraw/zinc/28/72/44/332287244.db2.gz AEHWJMPYYWMMSK-WIYYLYMNSA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@H](CC(=O)Nc1ccccc1OC(C)(C)C)c1ccccc1 ZINC000533941913 333418320 /nfs/dbraw/zinc/41/83/20/333418320.db2.gz SLPRNLQLZBVXFM-MRXNPFEDSA-N 0 0 323.436 5.162 20 30 DKEDRN CCC(CC)[C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000534169818 333564877 /nfs/dbraw/zinc/56/48/77/333564877.db2.gz WFWBCFXVNFXXOU-KBPBESRZSA-N 0 0 318.486 5.092 20 30 DKEDRN CCC(CC)[C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000534169819 333564840 /nfs/dbraw/zinc/56/48/40/333564840.db2.gz WFWBCFXVNFXXOU-KGLIPLIRSA-N 0 0 318.486 5.092 20 30 DKEDRN CCC(CC)[C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000534169821 333564838 /nfs/dbraw/zinc/56/48/38/333564838.db2.gz WFWBCFXVNFXXOU-ZIAGYGMSSA-N 0 0 318.486 5.092 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCC[C@@H]1c1cccc(C)c1)c1ccccc1 ZINC000535367140 334720898 /nfs/dbraw/zinc/72/08/98/334720898.db2.gz DLQTZGPHHXSCCA-GHTZIAJQSA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCC[C@H]1c1cccc(C)c1)c1ccccc1 ZINC000535367142 334720930 /nfs/dbraw/zinc/72/09/30/334720930.db2.gz DLQTZGPHHXSCCA-RXVVDRJESA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@H](CC(=O)N1CCC[C@@H]1c1cccc(C)c1)c1ccccc1 ZINC000535367143 334720940 /nfs/dbraw/zinc/72/09/40/334720940.db2.gz DLQTZGPHHXSCCA-WIYYLYMNSA-N 0 0 319.448 5.018 20 30 DKEDRN C=C[C@@H](CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000535406842 334729204 /nfs/dbraw/zinc/72/92/04/334729204.db2.gz MQBQLCGHFYQWHF-KRWDZBQOSA-N 0 0 307.437 5.417 20 30 DKEDRN C=C[C@H](CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000535406843 334729157 /nfs/dbraw/zinc/72/91/57/334729157.db2.gz MQBQLCGHFYQWHF-QGZVFWFLSA-N 0 0 307.437 5.417 20 30 DKEDRN C=C[C@H](CC(=O)Nc1cc(C(C)C)c(O)cc1C)c1ccccc1 ZINC000535442940 334730372 /nfs/dbraw/zinc/73/03/72/334730372.db2.gz ZAXLORLYOLUHRY-MRXNPFEDSA-N 0 0 323.436 5.122 20 30 DKEDRN C=C[C@@H](CC(=O)Nc1ccc(OC(C)C)cc1C)c1ccccc1 ZINC000536245659 331690529 /nfs/dbraw/zinc/69/05/29/331690529.db2.gz WVFMSGSWKLYHFF-KRWDZBQOSA-N 0 0 323.436 5.081 20 30 DKEDRN C=CCCC[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000537072036 337886281 /nfs/dbraw/zinc/88/62/81/337886281.db2.gz PQMRMVIKSQZLOD-LBPRGKRZSA-N 0 0 313.426 5.055 20 30 DKEDRN C[C@H](SCc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000537422011 337935749 /nfs/dbraw/zinc/93/57/49/337935749.db2.gz YFFKVGIMGWYQSD-JTQLQIEISA-N 0 0 323.248 5.254 20 30 DKEDRN C[C@@H](Nc1cccc(N2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000537532602 337940930 /nfs/dbraw/zinc/94/09/30/337940930.db2.gz APZCKEIOFIJJKH-QGZVFWFLSA-N 0 0 319.452 5.112 20 30 DKEDRN C[C@@H](Nc1ccc2nc(C3CC3)sc2c1)c1cccc(C#N)c1 ZINC000537534470 337941096 /nfs/dbraw/zinc/94/10/96/337941096.db2.gz WKZYQLBIWQOFMF-GFCCVEGCSA-N 0 0 319.433 5.218 20 30 DKEDRN C[C@H](Nc1ccc2nc(C3CC3)sc2c1)c1cccc(C#N)c1 ZINC000537534476 337941058 /nfs/dbraw/zinc/94/10/58/337941058.db2.gz WKZYQLBIWQOFMF-LBPRGKRZSA-N 0 0 319.433 5.218 20 30 DKEDRN C[C@@H](Sc1cccc(Cl)c1C#N)c1ncc(C(C)(C)C)o1 ZINC000537844541 337963053 /nfs/dbraw/zinc/96/30/53/337963053.db2.gz LXBFKXSCENFECP-SNVBAGLBSA-N 0 0 320.845 5.350 20 30 DKEDRN Cc1c2ccccc2oc1[C@H](NCc1ccccc1C#N)C(C)C ZINC000538159193 331737875 /nfs/dbraw/zinc/73/78/75/331737875.db2.gz DXEUFQYPZPMVNG-HXUWFJFHSA-N 0 0 318.420 5.100 20 30 DKEDRN N#CC1(CSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000538415566 340822217 /nfs/dbraw/zinc/82/22/17/340822217.db2.gz BYMKGIHBSYCKMY-UHFFFAOYSA-N 0 0 315.388 5.091 20 30 DKEDRN Cc1cccc([C@@H](C)Nc2cccc(OCCCC#N)c2)c1C ZINC000538526552 340831518 /nfs/dbraw/zinc/83/15/18/340831518.db2.gz NEANSVDIXNLLEW-QGZVFWFLSA-N 0 0 308.425 5.159 20 30 DKEDRN Cc1ccc2c(c1)[C@@H](Nc1cccc(OCCCC#N)c1)CCC2 ZINC000538527166 340831551 /nfs/dbraw/zinc/83/15/51/340831551.db2.gz UTMIKXMAIWZDLS-NRFANRHFSA-N 0 0 320.436 5.167 20 30 DKEDRN Cc1ccc2c(c1)[C@H](Nc1cccc(OCCCC#N)c1)CCC2 ZINC000538527167 340831476 /nfs/dbraw/zinc/83/14/76/340831476.db2.gz UTMIKXMAIWZDLS-OAQYLSRUSA-N 0 0 320.436 5.167 20 30 DKEDRN C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1cccc(C#N)c1 ZINC000538528556 340831708 /nfs/dbraw/zinc/83/17/08/340831708.db2.gz NQDUVXPJPWCUNT-CYBMUJFWSA-N 0 0 319.408 5.170 20 30 DKEDRN Cc1c(COC(C)(C)C)cccc1N[C@@H](C)c1cccc(C#N)c1 ZINC000538554770 340833133 /nfs/dbraw/zinc/83/31/33/340833133.db2.gz WQUCSOHSWDQVOS-INIZCTEOSA-N 0 0 322.452 5.355 20 30 DKEDRN CC(C)c1ccc(CSCCCC2(C#N)CCOCC2)cc1 ZINC000538609071 332299258 /nfs/dbraw/zinc/29/92/58/332299258.db2.gz SBYUYIUQBYOGDL-UHFFFAOYSA-N 0 0 317.498 5.144 20 30 DKEDRN C=CCC[C@H](Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)C1CC1 ZINC000538628180 340835834 /nfs/dbraw/zinc/83/58/34/340835834.db2.gz MCZQGCWVXVOFTK-KRWDZBQOSA-N 0 0 314.473 5.136 20 30 DKEDRN C=CCC[C@@H](Nc1ccc(C)c(NC(=O)C(C)(C)C)c1)C1CC1 ZINC000538628181 340835910 /nfs/dbraw/zinc/83/59/10/340835910.db2.gz MCZQGCWVXVOFTK-QGZVFWFLSA-N 0 0 314.473 5.136 20 30 DKEDRN CSc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000538636331 340836356 /nfs/dbraw/zinc/83/63/56/340836356.db2.gz RBAVIWXQZAQAFV-NSHDSACASA-N 0 0 302.830 5.107 20 30 DKEDRN CC(C)c1nc(CSc2cccc(Cl)c2C#N)cs1 ZINC000538950394 340863325 /nfs/dbraw/zinc/86/33/25/340863325.db2.gz NNCILWJCYAPRGD-UHFFFAOYSA-N 0 0 308.859 5.084 20 30 DKEDRN C=CCCOCCCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000539365030 340882660 /nfs/dbraw/zinc/88/26/60/340882660.db2.gz VYDABRJGHDKOOH-UHFFFAOYSA-N 0 0 323.436 5.055 20 30 DKEDRN C=C[C@@H](CC(=O)Nc1cc(SC)ccc1C)c1ccccc1 ZINC000539445954 340885738 /nfs/dbraw/zinc/88/57/38/340885738.db2.gz GEIKJOQYYTWLJY-HNNXBMFYSA-N 0 0 311.450 5.015 20 30 DKEDRN C=C[C@H](CC(=O)Nc1cc(SC)ccc1C)c1ccccc1 ZINC000539445955 340885699 /nfs/dbraw/zinc/88/56/99/340885699.db2.gz GEIKJOQYYTWLJY-OAHLLOKOSA-N 0 0 311.450 5.015 20 30 DKEDRN N#CC1(CS[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000539520783 340889170 /nfs/dbraw/zinc/88/91/70/340889170.db2.gz HJIUSQHPFYHBCD-QGZVFWFLSA-N 0 0 315.388 5.091 20 30 DKEDRN CC1(C)C[C@H](Nc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000539626471 340893283 /nfs/dbraw/zinc/89/32/83/340893283.db2.gz QFPOEWSIVKJXGM-FQEVSTJZSA-N 0 0 320.436 5.204 20 30 DKEDRN CC1(C)C[C@@H](Nc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000539626472 340893379 /nfs/dbraw/zinc/89/33/79/340893379.db2.gz QFPOEWSIVKJXGM-HXUWFJFHSA-N 0 0 320.436 5.204 20 30 DKEDRN N#Cc1ccc(SCc2cnc3ccccc3c2)c(Cl)c1 ZINC000539709093 340896694 /nfs/dbraw/zinc/89/66/94/340896694.db2.gz QDYAZJHOPNCWMI-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN Cc1csc(-c2cccc(N[C@H](C)c3ccc(C#N)cc3)c2)n1 ZINC000539735130 340897851 /nfs/dbraw/zinc/89/78/51/340897851.db2.gz PEMJTWKMZGBPBD-CQSZACIVSA-N 0 0 319.433 5.163 20 30 DKEDRN CSc1cccc(NC2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000539923808 340909981 /nfs/dbraw/zinc/90/99/81/340909981.db2.gz GOMHTPMEOSYVNG-UHFFFAOYSA-N 0 0 322.477 5.225 20 30 DKEDRN CC(C)(C#N)CCCNc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000540076961 340914387 /nfs/dbraw/zinc/91/43/87/340914387.db2.gz CKUQOYFSQWBJQZ-UHFFFAOYSA-N 0 0 320.436 5.030 20 30 DKEDRN C=CCC[C@H](NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000540458272 340932038 /nfs/dbraw/zinc/93/20/38/340932038.db2.gz MMPRUDOXZGWRMY-KRWDZBQOSA-N 0 0 324.449 5.200 20 30 DKEDRN CSc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000540832959 340947666 /nfs/dbraw/zinc/94/76/66/340947666.db2.gz MTHMORIJXORMMF-NSHDSACASA-N 0 0 302.830 5.107 20 30 DKEDRN CCSCc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540838362 340948173 /nfs/dbraw/zinc/94/81/73/340948173.db2.gz QHUZFYFPMPHELI-ZDUSSCGKSA-N 0 0 314.429 5.124 20 30 DKEDRN C[C@H](Sc1ccc(C#N)cc1Cl)c1nc2ccccc2o1 ZINC000540858842 340948821 /nfs/dbraw/zinc/94/88/21/340948821.db2.gz PXKSXRHBECUCKH-JTQLQIEISA-N 0 0 314.797 5.206 20 30 DKEDRN C[C@@H](Sc1ccc(C#N)cc1Cl)c1nc2ccccc2o1 ZINC000540858847 340948857 /nfs/dbraw/zinc/94/88/57/340948857.db2.gz PXKSXRHBECUCKH-SNVBAGLBSA-N 0 0 314.797 5.206 20 30 DKEDRN CC(C)c1nc2cc(N[C@H](C)c3ccc(C#N)cc3F)ccc2o1 ZINC000540976166 340954017 /nfs/dbraw/zinc/95/40/17/340954017.db2.gz IEEQGAOPSCBHIY-GFCCVEGCSA-N 0 0 323.371 5.135 20 30 DKEDRN CC(C)c1nc2cc(N[C@@H](C)c3ccc(C#N)cc3F)ccc2o1 ZINC000540976167 340954092 /nfs/dbraw/zinc/95/40/92/340954092.db2.gz IEEQGAOPSCBHIY-LBPRGKRZSA-N 0 0 323.371 5.135 20 30 DKEDRN C=CCCC[C@@H](C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000541123859 340959650 /nfs/dbraw/zinc/95/96/50/340959650.db2.gz YDXQVQNJBWABNL-QGZVFWFLSA-N 0 0 308.425 5.279 20 30 DKEDRN C[C@@H](C#N)CSc1ccccc1NCCCc1ccsc1 ZINC000541168142 340960513 /nfs/dbraw/zinc/96/05/13/340960513.db2.gz FNFIKQXEGGAEIE-AWEZNQCLSA-N 0 0 316.495 5.045 20 30 DKEDRN C[C@@H](CC#N)Sc1ccccc1NCCCc1ccsc1 ZINC000541169087 340960467 /nfs/dbraw/zinc/96/04/67/340960467.db2.gz AHKWCUNIDDLOEZ-AWEZNQCLSA-N 0 0 316.495 5.187 20 30 DKEDRN C[C@H](CC#N)Sc1ccccc1NCCCc1ccsc1 ZINC000541169099 340960446 /nfs/dbraw/zinc/96/04/46/340960446.db2.gz AHKWCUNIDDLOEZ-CQSZACIVSA-N 0 0 316.495 5.187 20 30 DKEDRN N#Cc1c(Cl)cccc1SCc1nc2ccccc2s1 ZINC000541173966 340960362 /nfs/dbraw/zinc/96/03/62/340960362.db2.gz VFPAQUOGPSMUTL-UHFFFAOYSA-N 0 0 316.838 5.114 20 30 DKEDRN C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccc(C#N)cc1F ZINC000541738907 340981777 /nfs/dbraw/zinc/98/17/77/340981777.db2.gz VBGKNWZHFWGZCW-VIFPVBQESA-N 0 0 324.733 5.461 20 30 DKEDRN C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccc(C#N)cc1 ZINC000541741797 340981880 /nfs/dbraw/zinc/98/18/80/340981880.db2.gz VGPKTRLLMVGWEJ-SNVBAGLBSA-N 0 0 306.743 5.322 20 30 DKEDRN Cc1ccc([C@@H](Nc2cccc(OCCCC#N)c2)C2CCC2)o1 ZINC000541778270 340983819 /nfs/dbraw/zinc/98/38/19/340983819.db2.gz RYCFAVOENBKFEX-FQEVSTJZSA-N 0 0 324.424 5.224 20 30 DKEDRN CCC(C)(C)OCc1ccccc1NCc1ccc(CC#N)cc1 ZINC000541800800 340984564 /nfs/dbraw/zinc/98/45/64/340984564.db2.gz OXWUAHNEGCCMLW-UHFFFAOYSA-N 0 0 322.452 5.070 20 30 DKEDRN C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1SCCC#N ZINC000542553602 341013320 /nfs/dbraw/zinc/01/33/20/341013320.db2.gz GNSBOVOGVSVAOQ-AWEZNQCLSA-N 0 0 318.486 5.093 20 30 DKEDRN C[C@H](CCC(C)(C)C)C(=O)Nc1ccccc1SCCC#N ZINC000542553603 341013255 /nfs/dbraw/zinc/01/32/55/341013255.db2.gz GNSBOVOGVSVAOQ-CQSZACIVSA-N 0 0 318.486 5.093 20 30 DKEDRN C[C@H](Nc1cccc(C(F)F)c1Cl)c1cccc(C#N)c1 ZINC000542680090 341016987 /nfs/dbraw/zinc/01/69/87/341016987.db2.gz HEXJUYKIRVPXHD-JTQLQIEISA-N 0 0 306.743 5.322 20 30 DKEDRN C[C@@H](Nc1cccc(C(F)F)c1Cl)c1cccc(C#N)c1 ZINC000542680091 341017069 /nfs/dbraw/zinc/01/70/69/341017069.db2.gz HEXJUYKIRVPXHD-SNVBAGLBSA-N 0 0 306.743 5.322 20 30 DKEDRN C[C@H](Sc1cccc(Cl)c1C#N)c1nc2ccccc2o1 ZINC000543031571 341028739 /nfs/dbraw/zinc/02/87/39/341028739.db2.gz IIZLJXDIRDJUSO-JTQLQIEISA-N 0 0 314.797 5.206 20 30 DKEDRN C[C@@H](Sc1cccc(Cl)c1C#N)c1nc2ccccc2o1 ZINC000543031572 341028804 /nfs/dbraw/zinc/02/88/04/341028804.db2.gz IIZLJXDIRDJUSO-SNVBAGLBSA-N 0 0 314.797 5.206 20 30 DKEDRN CCC(C)(C)OCc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000543450247 341045339 /nfs/dbraw/zinc/04/53/39/341045339.db2.gz ZSOIVOPNLVRATA-INIZCTEOSA-N 0 0 322.452 5.437 20 30 DKEDRN CCC(C)(C)OCc1ccccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000543450251 341045372 /nfs/dbraw/zinc/04/53/72/341045372.db2.gz ZSOIVOPNLVRATA-MRXNPFEDSA-N 0 0 322.452 5.437 20 30 DKEDRN CCC(C)(C)OCc1ccccc1NCC(C)(C)CCC#N ZINC000543617185 341051106 /nfs/dbraw/zinc/05/11/06/341051106.db2.gz UJFHXXJEWPMQGV-UHFFFAOYSA-N 0 0 302.462 5.134 20 30 DKEDRN N#Cc1cccc(CNc2cccc(-c3cccs3)c2)c1F ZINC000544093497 341070033 /nfs/dbraw/zinc/07/00/33/341070033.db2.gz HWQSNRZRQVFBMT-UHFFFAOYSA-N 0 0 308.381 5.038 20 30 DKEDRN Cc1ccc(CCCNc2ccccc2SCCC#N)cc1 ZINC000544100803 341070217 /nfs/dbraw/zinc/07/02/17/341070217.db2.gz LYFKZSIAUJWITI-UHFFFAOYSA-N 0 0 310.466 5.046 20 30 DKEDRN C=CCC(CC=C)C(=O)Nc1ccccc1COC(C)(C)CC ZINC000544453497 341082939 /nfs/dbraw/zinc/08/29/39/341082939.db2.gz DATJJSZPXFIQEF-UHFFFAOYSA-N 0 0 315.457 5.099 20 30 DKEDRN C=CCCC[C@H](C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000544629976 341089905 /nfs/dbraw/zinc/08/99/05/341089905.db2.gz CGWREPWTPBNMNO-JTQLQIEISA-N 0 0 316.779 5.144 20 30 DKEDRN C=CCCC[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000544629980 341089846 /nfs/dbraw/zinc/08/98/46/341089846.db2.gz CGWREPWTPBNMNO-SNVBAGLBSA-N 0 0 316.779 5.144 20 30 DKEDRN CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000545267919 341118294 /nfs/dbraw/zinc/11/82/94/341118294.db2.gz KHPZCKYWULENQW-INIZCTEOSA-N 0 0 324.390 5.172 20 30 DKEDRN CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000545267920 341118334 /nfs/dbraw/zinc/11/83/34/341118334.db2.gz KHPZCKYWULENQW-MRXNPFEDSA-N 0 0 324.390 5.172 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000545969100 341148907 /nfs/dbraw/zinc/14/89/07/341148907.db2.gz DPKWMKQBXJBXCN-GHTZIAJQSA-N 0 0 319.448 5.100 20 30 DKEDRN C=C[C@H](CC(=O)N1CCCC[C@H]1c1ccccc1)c1ccccc1 ZINC000545969101 341148831 /nfs/dbraw/zinc/14/88/31/341148831.db2.gz DPKWMKQBXJBXCN-NQIIRXRSSA-N 0 0 319.448 5.100 20 30 DKEDRN C=C[C@@H](CC(=O)N1CCCC[C@H]1c1ccccc1)c1ccccc1 ZINC000545969102 341148870 /nfs/dbraw/zinc/14/88/70/341148870.db2.gz DPKWMKQBXJBXCN-RXVVDRJESA-N 0 0 319.448 5.100 20 30 DKEDRN C=C[C@H](CC(=O)N1CCCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000545969103 341148828 /nfs/dbraw/zinc/14/88/28/341148828.db2.gz DPKWMKQBXJBXCN-WIYYLYMNSA-N 0 0 319.448 5.100 20 30 DKEDRN C[C@H](SCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000546020214 341151525 /nfs/dbraw/zinc/15/15/25/341151525.db2.gz KMXIZDBPKALREL-AWEZNQCLSA-N 0 0 304.418 5.101 20 30 DKEDRN C[C@@H](SCc1ccc2ncccc2c1)c1ccc(C#N)cc1 ZINC000546020215 341151549 /nfs/dbraw/zinc/15/15/49/341151549.db2.gz KMXIZDBPKALREL-CQSZACIVSA-N 0 0 304.418 5.101 20 30 DKEDRN Cc1cc(F)ccc1-c1ccc(CNc2ccc(CC#N)cc2)o1 ZINC000546073440 341153370 /nfs/dbraw/zinc/15/33/70/341153370.db2.gz LWEOURNKBHZBFO-UHFFFAOYSA-N 0 0 320.367 5.072 20 30 DKEDRN N#CCc1ccc(NCc2ccc(-c3cccc(F)c3)s2)cc1 ZINC000546256793 341159714 /nfs/dbraw/zinc/15/97/14/341159714.db2.gz BWLOGWCJJUMHER-UHFFFAOYSA-N 0 0 322.408 5.232 20 30 DKEDRN CC[C@H](CC#N)NCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000546581862 341173450 /nfs/dbraw/zinc/17/34/50/341173450.db2.gz HGMYLILYJIQGAL-LLVKDONJSA-N 0 0 323.223 5.035 20 30 DKEDRN CC[C@@H](CC#N)NCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000546581865 341173464 /nfs/dbraw/zinc/17/34/64/341173464.db2.gz HGMYLILYJIQGAL-NSHDSACASA-N 0 0 323.223 5.035 20 30 DKEDRN CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C3CCC3)c2)n1 ZINC000546678070 341178436 /nfs/dbraw/zinc/17/84/36/341178436.db2.gz HZBPSRISHIWLJU-INIZCTEOSA-N 0 0 324.449 5.024 20 30 DKEDRN CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C3CCC3)c2)n1 ZINC000546678072 341178450 /nfs/dbraw/zinc/17/84/50/341178450.db2.gz HZBPSRISHIWLJU-MRXNPFEDSA-N 0 0 324.449 5.024 20 30 DKEDRN N#CCc1ccc(NCc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000546780270 341182300 /nfs/dbraw/zinc/18/23/00/341182300.db2.gz LKGRONXYLDMQHX-UHFFFAOYSA-N 0 0 324.733 5.037 20 30 DKEDRN Cc1c(F)cccc1-c1ccc(CNc2ccc(CC#N)cc2)o1 ZINC000546781786 341182250 /nfs/dbraw/zinc/18/22/50/341182250.db2.gz KKEFAXQYZWJKDC-UHFFFAOYSA-N 0 0 320.367 5.072 20 30 DKEDRN N#Cc1ccc(SCc2ccc3ncccc3c2)c(Cl)c1 ZINC000547434692 341213130 /nfs/dbraw/zinc/21/31/30/341213130.db2.gz MPWWQNPRZLRFKC-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN N#Cc1c(Cl)cccc1SCc1ccc2ncccc2c1 ZINC000547434812 341213131 /nfs/dbraw/zinc/21/31/31/341213131.db2.gz XPZHEVBIEZQOOU-UHFFFAOYSA-N 0 0 310.809 5.052 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1cccc(C)c1Cl ZINC000547623032 341223413 /nfs/dbraw/zinc/22/34/13/341223413.db2.gz WCSHISRCBVQKEE-UHFFFAOYSA-N 0 0 317.841 5.179 20 30 DKEDRN C=CCC[C@H](C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000547952156 341240428 /nfs/dbraw/zinc/24/04/28/341240428.db2.gz WOAQNUSYRPIIHC-HNNXBMFYSA-N 0 0 317.791 5.168 20 30 DKEDRN C=CCC[C@@H](C(=O)Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000547952157 341240396 /nfs/dbraw/zinc/24/03/96/341240396.db2.gz WOAQNUSYRPIIHC-OAHLLOKOSA-N 0 0 317.791 5.168 20 30 DKEDRN C=CC[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000548278835 341254162 /nfs/dbraw/zinc/25/41/62/341254162.db2.gz RMKJIDMMMXYVAL-CYBMUJFWSA-N 0 0 320.219 5.292 20 30 DKEDRN C=CC[C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000548278836 341254123 /nfs/dbraw/zinc/25/41/23/341254123.db2.gz RMKJIDMMMXYVAL-ZDUSSCGKSA-N 0 0 320.219 5.292 20 30 DKEDRN N#Cc1ccccc1-c1ccc(CNc2cccc3cc[nH]c32)cc1 ZINC000548467427 341262142 /nfs/dbraw/zinc/26/21/42/341262142.db2.gz PHXFNGLLIMTVFX-UHFFFAOYSA-N 0 0 323.399 5.319 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1cc(F)ccc1Cl ZINC000548600351 341266668 /nfs/dbraw/zinc/26/66/68/341266668.db2.gz WDQVVPCMXJSUCD-UHFFFAOYSA-N 0 0 321.804 5.010 20 30 DKEDRN C=CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1C)c1ccccc1 ZINC000548610615 341267095 /nfs/dbraw/zinc/26/70/95/341267095.db2.gz DMAMVSSIFVBMKY-IBGZPJMESA-N 0 0 323.436 5.081 20 30 DKEDRN C=CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1C)c1ccccc1 ZINC000548610616 341267151 /nfs/dbraw/zinc/26/71/51/341267151.db2.gz DMAMVSSIFVBMKY-LJQANCHMSA-N 0 0 323.436 5.081 20 30 DKEDRN C=CCCc1ccccc1NC(=O)C1CC(c2cccc(F)c2)C1 ZINC000548772010 341275083 /nfs/dbraw/zinc/27/50/83/341275083.db2.gz FIPBTHJTMFPYDG-UHFFFAOYSA-N 0 0 323.411 5.077 20 30 DKEDRN C=CCCc1ccccc1NC(=O)Cc1coc2cc(C)ccc12 ZINC000548838491 341277472 /nfs/dbraw/zinc/27/74/72/341277472.db2.gz RGVRVCYFHOSOEM-UHFFFAOYSA-N 0 0 319.404 5.041 20 30 DKEDRN C=CCC(C)(C)C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000550034433 341308961 /nfs/dbraw/zinc/30/89/61/341308961.db2.gz LYACDAOFJULOQM-INIZCTEOSA-N 0 0 322.452 5.401 20 30 DKEDRN C=CCC(C)(C)C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000550034434 341308886 /nfs/dbraw/zinc/30/88/86/341308886.db2.gz LYACDAOFJULOQM-MRXNPFEDSA-N 0 0 322.452 5.401 20 30 DKEDRN N#CCC[C@@H](C#N)COc1ccc(Cl)cc1C1CCCCC1 ZINC000550177362 341311874 /nfs/dbraw/zinc/31/18/74/341311874.db2.gz VMOITLYGDANMAR-AWEZNQCLSA-N 0 0 316.832 5.210 20 30 DKEDRN N#CCC[C@H](C#N)COc1ccc(Cl)cc1C1CCCCC1 ZINC000550177363 341311832 /nfs/dbraw/zinc/31/18/32/341311832.db2.gz VMOITLYGDANMAR-CQSZACIVSA-N 0 0 316.832 5.210 20 30 DKEDRN C=C[C@@H](CC(=O)N(CC)c1ccccc1Cl)c1ccccc1 ZINC000550764920 341322572 /nfs/dbraw/zinc/32/25/72/341322572.db2.gz UIQBBQDTWUWGSE-HNNXBMFYSA-N 0 0 313.828 5.053 20 30 DKEDRN C=C[C@H](CC(=O)N(CC)c1ccccc1Cl)c1ccccc1 ZINC000550764921 341322684 /nfs/dbraw/zinc/32/26/84/341322684.db2.gz UIQBBQDTWUWGSE-OAHLLOKOSA-N 0 0 313.828 5.053 20 30 DKEDRN C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207001 341333991 /nfs/dbraw/zinc/33/39/91/341333991.db2.gz YVWCEOKOPOGWKX-APWZRJJASA-N 0 0 318.420 5.519 20 30 DKEDRN C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207004 341333922 /nfs/dbraw/zinc/33/39/22/341333922.db2.gz YVWCEOKOPOGWKX-LPHOPBHVSA-N 0 0 318.420 5.519 20 30 DKEDRN C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207005 341333886 /nfs/dbraw/zinc/33/38/86/341333886.db2.gz YVWCEOKOPOGWKX-QFBILLFUSA-N 0 0 318.420 5.519 20 30 DKEDRN C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000551207007 341333940 /nfs/dbraw/zinc/33/39/40/341333940.db2.gz YVWCEOKOPOGWKX-VQIMIIECSA-N 0 0 318.420 5.519 20 30 DKEDRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551309765 341338192 /nfs/dbraw/zinc/33/81/92/341338192.db2.gz XUBNGVIJRRJCQF-UHFFFAOYSA-N 0 0 324.399 5.026 20 30 DKEDRN C=CCC(C)(C)C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000551454160 341342125 /nfs/dbraw/zinc/34/21/25/341342125.db2.gz IMPVKUNZTNYUHC-UHFFFAOYSA-N 0 0 317.473 5.241 20 30 DKEDRN C=CCC(C)(C)c1noc(/C=C(\c2ccccc2)C(F)(F)F)n1 ZINC000551472106 341342520 /nfs/dbraw/zinc/34/25/20/341342520.db2.gz NKKZJROWGDDBFQ-ACCUITESSA-N 0 0 322.330 5.026 20 30 DKEDRN C=CCC(C)(C)c1noc(/C=C(/c2ccccc2)C(F)(F)F)n1 ZINC000551472111 341342530 /nfs/dbraw/zinc/34/25/30/341342530.db2.gz NKKZJROWGDDBFQ-QBFSEMIESA-N 0 0 322.330 5.026 20 30 DKEDRN C=CCC[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccco1 ZINC000552071188 341367386 /nfs/dbraw/zinc/36/73/86/341367386.db2.gz UIEDEFOXSYLHLW-HNNXBMFYSA-N 0 0 309.331 5.504 20 30 DKEDRN C=CCC[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccco1 ZINC000552071189 341367409 /nfs/dbraw/zinc/36/74/09/341367409.db2.gz UIEDEFOXSYLHLW-OAHLLOKOSA-N 0 0 309.331 5.504 20 30 DKEDRN C=CCC[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 ZINC000552274874 341383239 /nfs/dbraw/zinc/38/32/39/341383239.db2.gz DUFAYDDACBABOV-HNNXBMFYSA-N 0 0 308.381 5.418 20 30 DKEDRN C=CCC[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccco1 ZINC000552274875 341383148 /nfs/dbraw/zinc/38/31/48/341383148.db2.gz DUFAYDDACBABOV-OAHLLOKOSA-N 0 0 308.381 5.418 20 30 DKEDRN C=CCC[C@H](Nc1cccc(COCC2CC2)c1)c1ccco1 ZINC000552275185 341383180 /nfs/dbraw/zinc/38/31/80/341383180.db2.gz NUSLZVQVBYITNF-IBGZPJMESA-N 0 0 311.425 5.326 20 30 DKEDRN C=CCC[C@@H](Nc1cccc(COCC2CC2)c1)c1ccco1 ZINC000552275186 341383151 /nfs/dbraw/zinc/38/31/51/341383151.db2.gz NUSLZVQVBYITNF-LJQANCHMSA-N 0 0 311.425 5.326 20 30 DKEDRN C=CCC[C@H](Nc1ccc2cnn(C(C)C)c2c1)c1ccco1 ZINC000552281611 341383873 /nfs/dbraw/zinc/38/38/73/341383873.db2.gz DLBRRAFJDXZFIF-KRWDZBQOSA-N 0 0 309.413 5.330 20 30 DKEDRN C=CCC[C@@H](Nc1ccc2cnn(C(C)C)c2c1)c1ccco1 ZINC000552281612 341383866 /nfs/dbraw/zinc/38/38/66/341383866.db2.gz DLBRRAFJDXZFIF-QGZVFWFLSA-N 0 0 309.413 5.330 20 30 DKEDRN C=CCC[C@H](Nc1cccc(CC(F)(F)F)c1)c1ccco1 ZINC000552282340 341383939 /nfs/dbraw/zinc/38/39/39/341383939.db2.gz BRQJRCXSZYERQG-HNNXBMFYSA-N 0 0 309.331 5.504 20 30 DKEDRN C=CCC[C@@H](Nc1cccc(CC(F)(F)F)c1)c1ccco1 ZINC000552282341 341383957 /nfs/dbraw/zinc/38/39/57/341383957.db2.gz BRQJRCXSZYERQG-OAHLLOKOSA-N 0 0 309.331 5.504 20 30 DKEDRN C[C@@H](CC#N)Sc1ccccc1NCc1ccc(Cl)cc1 ZINC000553317477 341425302 /nfs/dbraw/zinc/42/53/02/341425302.db2.gz VXWIYNFZOBRALA-ZDUSSCGKSA-N 0 0 316.857 5.346 20 30 DKEDRN N#CCC[C@H](Nc1ccnc2c(Cl)cccc12)c1ccccc1 ZINC000553510448 341430726 /nfs/dbraw/zinc/43/07/26/341430726.db2.gz CUAPWKJJKAENLM-KRWDZBQOSA-N 0 0 321.811 5.345 20 30 DKEDRN CC(C)(C#N)CCSCc1csc(-c2ccccc2F)n1 ZINC000554705912 341461610 /nfs/dbraw/zinc/46/16/10/341461610.db2.gz CSDCERIPISGJHB-UHFFFAOYSA-N 0 0 320.458 5.122 20 30 DKEDRN CC(C)(C#N)CCSCc1nc(C2CCCCC2)cs1 ZINC000554716608 341461868 /nfs/dbraw/zinc/46/18/68/341461868.db2.gz WOKYBNGZQXTGEB-UHFFFAOYSA-N 0 0 308.516 5.364 20 30 DKEDRN C=CCC(C)(C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000556339553 331671612 /nfs/dbraw/zinc/67/16/12/331671612.db2.gz GTLNGADRRUHNQG-UHFFFAOYSA-N 0 0 305.487 5.177 20 30 DKEDRN Cc1ccc(C[C@@H](C#N)SCc2ccc(Cl)cc2)cc1 ZINC000556816990 331736127 /nfs/dbraw/zinc/73/61/27/331736127.db2.gz XGCUXJSDVPFMQX-KRWDZBQOSA-N 0 0 301.842 5.017 20 30 DKEDRN Cc1ccc(C[C@H](C#N)SCc2ccc(Cl)cc2)cc1 ZINC000556816994 331736306 /nfs/dbraw/zinc/73/63/06/331736306.db2.gz XGCUXJSDVPFMQX-QGZVFWFLSA-N 0 0 301.842 5.017 20 30 DKEDRN C=CCSc1ccccc1C(=O)Nc1cccc(F)c1Cl ZINC000558261972 331890089 /nfs/dbraw/zinc/89/00/89/331890089.db2.gz RUXSHWKPGSQQDO-UHFFFAOYSA-N 0 0 321.804 5.010 20 30 DKEDRN C=C[C@@H](CC(=O)N([C@H](C)c1ccccc1)C1CC1)c1ccccc1 ZINC000559681233 332276467 /nfs/dbraw/zinc/27/64/67/332276467.db2.gz LJEMHHGFMSQCRO-MSOLQXFVSA-N 0 0 319.448 5.099 20 30 DKEDRN C=C[C@H](CC(=O)N([C@H](C)c1ccccc1)C1CC1)c1ccccc1 ZINC000559681234 332276367 /nfs/dbraw/zinc/27/63/67/332276367.db2.gz LJEMHHGFMSQCRO-QZTJIDSGSA-N 0 0 319.448 5.099 20 30 DKEDRN C=C[C@@H](CC(=O)N([C@@H](C)c1ccccc1)C1CC1)c1ccccc1 ZINC000559681235 332276463 /nfs/dbraw/zinc/27/64/63/332276463.db2.gz LJEMHHGFMSQCRO-ROUUACIJSA-N 0 0 319.448 5.099 20 30 DKEDRN C=C[C@H](CC(=O)N([C@@H](C)c1ccccc1)C1CC1)c1ccccc1 ZINC000559681236 332276427 /nfs/dbraw/zinc/27/64/27/332276427.db2.gz LJEMHHGFMSQCRO-ZWKOTPCHSA-N 0 0 319.448 5.099 20 30 DKEDRN CC[C@H](C)Oc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000559876888 332288517 /nfs/dbraw/zinc/28/85/17/332288517.db2.gz IVHJJWMGPVFWJZ-KBPBESRZSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@@H](C)Oc1cccc(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000559876890 332288340 /nfs/dbraw/zinc/28/83/40/332288340.db2.gz IVHJJWMGPVFWJZ-KGLIPLIRSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@H](C)Oc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000559876891 332288496 /nfs/dbraw/zinc/28/84/96/332288496.db2.gz IVHJJWMGPVFWJZ-UONOGXRCSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@@H](C)Oc1cccc(N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000559876893 332288479 /nfs/dbraw/zinc/28/84/79/332288479.db2.gz IVHJJWMGPVFWJZ-ZIAGYGMSSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@H](C)Oc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000559878796 332288741 /nfs/dbraw/zinc/28/87/41/332288741.db2.gz SUCWXNKDRLIOTC-KBPBESRZSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@@H](C)Oc1cccc(N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000559878799 332288641 /nfs/dbraw/zinc/28/86/41/332288641.db2.gz SUCWXNKDRLIOTC-KGLIPLIRSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@H](C)Oc1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000559878801 332288709 /nfs/dbraw/zinc/28/87/09/332288709.db2.gz SUCWXNKDRLIOTC-UONOGXRCSA-N 0 0 312.388 5.048 20 30 DKEDRN CC[C@@H](C)Oc1cccc(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000559878805 332288659 /nfs/dbraw/zinc/28/86/59/332288659.db2.gz SUCWXNKDRLIOTC-ZIAGYGMSSA-N 0 0 312.388 5.048 20 30 DKEDRN CC(C)(C#N)CCCCSCc1ccc(C(F)(F)F)cn1 ZINC000559953540 332296779 /nfs/dbraw/zinc/29/67/79/332296779.db2.gz CGAMFRCCINOHRP-UHFFFAOYSA-N 0 0 316.392 5.054 20 30 DKEDRN CC1(C#N)CCC(Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 ZINC000560098686 332311012 /nfs/dbraw/zinc/31/10/12/332311012.db2.gz TWLPQJXCIKAZPA-UHFFFAOYSA-N 0 0 321.424 5.103 20 30 DKEDRN C=CCC(C)(C)C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000560135089 332314175 /nfs/dbraw/zinc/31/41/75/332314175.db2.gz MHTBZQZCROQYQY-UHFFFAOYSA-N 0 0 323.436 5.115 20 30 DKEDRN N#CC1(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CCCC1 ZINC000560141253 332313856 /nfs/dbraw/zinc/31/38/56/332313856.db2.gz LUQKLQPRDPTJEK-UHFFFAOYSA-N 0 0 324.811 5.029 20 30 DKEDRN C=CCC[C@@H](NCc1coc(-c2ccc(C)cc2)n1)c1ccco1 ZINC000560529042 332351963 /nfs/dbraw/zinc/35/19/63/332351963.db2.gz IKTWQAGBFSMRHL-GOSISDBHSA-N 0 0 322.408 5.040 20 30 DKEDRN C=CCC[C@H](NCc1coc(-c2ccc(C)cc2)n1)c1ccco1 ZINC000560529043 332352065 /nfs/dbraw/zinc/35/20/65/332352065.db2.gz IKTWQAGBFSMRHL-SFHVURJKSA-N 0 0 322.408 5.040 20 30 DKEDRN C=CCC[C@H](NCc1cc(F)c(Cl)cc1F)c1ccco1 ZINC000560536256 332354489 /nfs/dbraw/zinc/35/44/89/332354489.db2.gz NLRCHIORWQMPNQ-HNNXBMFYSA-N 0 0 311.759 5.008 20 30 DKEDRN C=CCC[C@@H](NCc1cc(F)c(Cl)cc1F)c1ccco1 ZINC000560536263 332354373 /nfs/dbraw/zinc/35/43/73/332354373.db2.gz NLRCHIORWQMPNQ-OAHLLOKOSA-N 0 0 311.759 5.008 20 30 DKEDRN C=CCC[C@H](Nc1ccc(NC(C)=O)c(Cl)c1)c1ccco1 ZINC000560545968 332356911 /nfs/dbraw/zinc/35/69/11/332356911.db2.gz OTYWLFBBPUYEPI-INIZCTEOSA-N 0 0 318.804 5.011 20 30 DKEDRN C=CCC[C@@H](Nc1ccc(NC(C)=O)c(Cl)c1)c1ccco1 ZINC000560545973 332356952 /nfs/dbraw/zinc/35/69/52/332356952.db2.gz OTYWLFBBPUYEPI-MRXNPFEDSA-N 0 0 318.804 5.011 20 30 DKEDRN C=CCC[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccco1 ZINC000560552794 332358877 /nfs/dbraw/zinc/35/88/77/332358877.db2.gz GEJHJRTZVGGCQQ-HNNXBMFYSA-N 0 0 308.381 5.418 20 30 DKEDRN C=CCC[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccco1 ZINC000560552795 332358910 /nfs/dbraw/zinc/35/89/10/332358910.db2.gz GEJHJRTZVGGCQQ-OAHLLOKOSA-N 0 0 308.381 5.418 20 30 DKEDRN C=CCC[C@@H](Nc1cccc(-c2nc(C)c(C)o2)c1)c1ccco1 ZINC000560554059 332358990 /nfs/dbraw/zinc/35/89/90/332358990.db2.gz PWZNAPQAKAFHRO-GOSISDBHSA-N 0 0 322.408 5.671 20 30 DKEDRN C=CCC[C@H](Nc1cccc(-c2nc(C)c(C)o2)c1)c1ccco1 ZINC000560554060 332359203 /nfs/dbraw/zinc/35/92/03/332359203.db2.gz PWZNAPQAKAFHRO-SFHVURJKSA-N 0 0 322.408 5.671 20 30 DKEDRN C=CCC[C@H](Nc1cccc(COCc2ccco2)c1)C1CC1 ZINC000561801231 332498866 /nfs/dbraw/zinc/49/88/66/332498866.db2.gz ZDRJPLYSHWUXIZ-FQEVSTJZSA-N 0 0 311.425 5.153 20 30 DKEDRN C=CCC[C@@H](Nc1cccc(COCc2ccco2)c1)C1CC1 ZINC000561801232 332498902 /nfs/dbraw/zinc/49/89/02/332498902.db2.gz ZDRJPLYSHWUXIZ-HXUWFJFHSA-N 0 0 311.425 5.153 20 30 DKEDRN C=CC[C@H](C(=O)Nc1cc(C)c(F)cc1Cl)c1ccccc1 ZINC000561814215 332501213 /nfs/dbraw/zinc/50/12/13/332501213.db2.gz YOTGXYLUZPHYOQ-AWEZNQCLSA-N 0 0 317.791 5.086 20 30 DKEDRN C=CC[C@@H](C(=O)Nc1cc(C)c(F)cc1Cl)c1ccccc1 ZINC000561814220 332501272 /nfs/dbraw/zinc/50/12/72/332501272.db2.gz YOTGXYLUZPHYOQ-CQSZACIVSA-N 0 0 317.791 5.086 20 30 DKEDRN Cc1csc(NC(=O)c2coc3ccc(C(C)C)cc32)c1C#N ZINC000561837896 332503952 /nfs/dbraw/zinc/50/39/52/332503952.db2.gz ZRHSIHWDIJPIMZ-UHFFFAOYSA-N 0 0 324.405 5.050 20 30 DKEDRN C/C=C\c1ccc(N[C@@H](CCC#N)c2ccc(OC)cc2)cc1 ZINC000562055557 332538253 /nfs/dbraw/zinc/53/82/53/332538253.db2.gz FATBVXDQDVYCGU-BOYDRYHPSA-N 0 0 306.409 5.185 20 30 DKEDRN C/C=C/c1ccc(N[C@H](CCC#N)c2ccc(OC)cc2)cc1 ZINC000562055559 332538267 /nfs/dbraw/zinc/53/82/67/332538267.db2.gz FATBVXDQDVYCGU-HQMUEHRGSA-N 0 0 306.409 5.185 20 30 DKEDRN C=CCC[C@H](Nc1cccc(OCCCC#N)c1)c1ccco1 ZINC000563555965 333624593 /nfs/dbraw/zinc/62/45/93/333624593.db2.gz SAVNMXXDEDOQRS-SFHVURJKSA-N 0 0 310.397 5.082 20 30 DKEDRN C=CCC[C@@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccco1 ZINC000565136980 341518211 /nfs/dbraw/zinc/51/82/11/341518211.db2.gz IXVXEWAWTDZRPB-QGZVFWFLSA-N 0 0 308.381 5.362 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C2CC2)c1 ZINC000565166439 333611020 /nfs/dbraw/zinc/61/10/20/333611020.db2.gz WQUHRYRJQHWQSA-UHFFFAOYSA-N 0 0 319.448 5.668 20 30 DKEDRN CC(C)(C#N)CCSCc1cc(-c2ccc(Cl)cc2)no1 ZINC000565270559 341521972 /nfs/dbraw/zinc/52/19/72/341521972.db2.gz ZVZJGILWBIKUAD-UHFFFAOYSA-N 0 0 320.845 5.168 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CCCC ZINC000567315141 341594629 /nfs/dbraw/zinc/59/46/29/341594629.db2.gz DGKCWQHZVXLXLP-MRXNPFEDSA-N 0 0 316.489 5.581 20 30 DKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(CCC)C(C)C ZINC000568180220 331727187 /nfs/dbraw/zinc/72/71/87/331727187.db2.gz KANWOVZDFLPSJJ-UHFFFAOYSA-N 0 0 302.462 5.191 20 30 DKEDRN C=CCCc1ccccc1NC(=O)c1ccccc1SCC ZINC000568902466 341685030 /nfs/dbraw/zinc/68/50/30/341685030.db2.gz MENCFKZFMZUTHK-UHFFFAOYSA-N 0 0 311.450 5.170 20 30 DKEDRN C[C@H](C#N)CSc1ccccc1NCc1ccc(Cl)cc1 ZINC000571628081 333847568 /nfs/dbraw/zinc/84/75/68/333847568.db2.gz CPTHIPSHRRKBBA-CYBMUJFWSA-N 0 0 316.857 5.204 20 30 DKEDRN C[C@@H](C#N)CSc1ccccc1NCc1ccc(Cl)cc1 ZINC000571628082 333847617 /nfs/dbraw/zinc/84/76/17/333847617.db2.gz CPTHIPSHRRKBBA-ZDUSSCGKSA-N 0 0 316.857 5.204 20 30 DKEDRN CC[C@@](C)(C#N)C(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC000572277286 337602579 /nfs/dbraw/zinc/60/25/79/337602579.db2.gz LNTGNOAFSLGALM-IBGZPJMESA-N 0 0 324.449 5.025 20 30 DKEDRN CC[C@](C)(C#N)C(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC000572277287 337602629 /nfs/dbraw/zinc/60/26/29/337602629.db2.gz LNTGNOAFSLGALM-LJQANCHMSA-N 0 0 324.449 5.025 20 30 DKEDRN C=CCC[C@@H](Nc1cnn(CC(C)C)c1C(F)F)c1ccco1 ZINC000574351181 341756099 /nfs/dbraw/zinc/75/60/99/341756099.db2.gz GWJXOOYXYIHFHJ-CYBMUJFWSA-N 0 0 323.387 5.189 20 30 DKEDRN CC[C@@H](Nc1ccc(C)c(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000575473910 341799206 /nfs/dbraw/zinc/79/92/06/341799206.db2.gz MZVWRNWYGZPDKX-MRXNPFEDSA-N 0 0 316.351 5.031 20 30 DKEDRN CC[C@H](Nc1ccc2cnn(C(C)C)c2c1)c1ccc(C#N)cc1 ZINC000575867722 341811843 /nfs/dbraw/zinc/81/18/43/341811843.db2.gz UCMCBIFETOMDNU-IBGZPJMESA-N 0 0 318.424 5.052 20 30 DKEDRN CC(C)(C#N)CCSCc1cc(Cl)cc2cccnc21 ZINC000576141556 341829141 /nfs/dbraw/zinc/82/91/41/341829141.db2.gz DMCPPJJPLSKHGX-UHFFFAOYSA-N 0 0 304.846 5.061 20 30 DKEDRN C=CCCOCCCCC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000576420644 341845613 /nfs/dbraw/zinc/84/56/13/341845613.db2.gz ZPRLBPOCBYYHSU-UHFFFAOYSA-N 0 0 323.436 5.055 20 30 DKEDRN CC(C)(C#N)CCCOc1c(Cl)cc(Cl)c2cccnc21 ZINC000577427037 341909385 /nfs/dbraw/zinc/90/93/85/341909385.db2.gz RWJFXYWYVJAHHO-UHFFFAOYSA-N 0 0 323.223 5.250 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000580677747 341896169 /nfs/dbraw/zinc/89/61/69/341896169.db2.gz ZGSLHEJTHSOZMO-UHFFFAOYSA-N 0 0 324.424 5.217 20 30 DKEDRN CC(C)(C#N)CCSCc1csc(-c2ccc(F)cc2)n1 ZINC000583775476 337332252 /nfs/dbraw/zinc/33/22/52/337332252.db2.gz ONXYPYBRWBOWMN-UHFFFAOYSA-N 0 0 320.458 5.122 20 30 DKEDRN C=CCCCN(C)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000583779105 337332390 /nfs/dbraw/zinc/33/23/90/337332390.db2.gz CGLMLYBURUQJTG-UHFFFAOYSA-N 0 0 308.381 5.016 20 30 DKEDRN C[C@H](SCc1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000584137992 331841201 /nfs/dbraw/zinc/84/12/01/331841201.db2.gz OEVUWSCZYHXIID-AWEZNQCLSA-N 0 0 320.417 5.208 20 30 DKEDRN C[C@@H](SCc1ncc(-c2ccccc2)o1)c1ccc(C#N)cc1 ZINC000584137993 331841167 /nfs/dbraw/zinc/84/11/67/331841167.db2.gz OEVUWSCZYHXIID-CQSZACIVSA-N 0 0 320.417 5.208 20 30 DKEDRN C=C(C)[C@H](NCc1sccc1Cl)c1ccc(F)c(F)c1 ZINC000584279556 332204650 /nfs/dbraw/zinc/20/46/50/332204650.db2.gz PCAPLQUYXJXULU-HNNXBMFYSA-N 0 0 313.800 5.087 20 30 DKEDRN C=C(C)[C@@H](NCc1sccc1Cl)c1ccc(F)c(F)c1 ZINC000584279557 332204611 /nfs/dbraw/zinc/20/46/11/332204611.db2.gz PCAPLQUYXJXULU-OAHLLOKOSA-N 0 0 313.800 5.087 20 30 DKEDRN C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486579 337349773 /nfs/dbraw/zinc/34/97/73/337349773.db2.gz KXNZGIRZTKVOMQ-AUUYWEPGSA-N 0 0 316.404 5.033 20 30 DKEDRN C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486580 337349682 /nfs/dbraw/zinc/34/96/82/337349682.db2.gz KXNZGIRZTKVOMQ-IFXJQAMLSA-N 0 0 316.404 5.033 20 30 DKEDRN C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486581 337349830 /nfs/dbraw/zinc/34/98/30/337349830.db2.gz KXNZGIRZTKVOMQ-KUHUBIRLSA-N 0 0 316.404 5.033 20 30 DKEDRN C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2ccccc2o1 ZINC000584486582 337349716 /nfs/dbraw/zinc/34/97/16/337349716.db2.gz KXNZGIRZTKVOMQ-LIRRHRJNSA-N 0 0 316.404 5.033 20 30 DKEDRN