smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000175820476 823047939 /nfs/dbraw/zinc/04/79/39/823047939.db2.gz DQUCILZCCAZKLA-UHFFFAOYSA-N 0 0 395.503 4.349 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCC(=O)c1ccccc1 ZINC000175842461 823052812 /nfs/dbraw/zinc/05/28/12/823052812.db2.gz CSRUOIKSNKEOHW-UHFFFAOYSA-N 0 0 390.277 4.166 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cccc(OC)c1 ZINC000175850504 823055244 /nfs/dbraw/zinc/05/52/44/823055244.db2.gz HQKYCJYQNBPKQD-UHFFFAOYSA-N 0 0 392.293 4.145 20 10 GICDRN COc1cc(O)c(CNc2ccc(OC(F)F)c3cccnc23)cc1OC ZINC000187512836 823078422 /nfs/dbraw/zinc/07/84/22/823078422.db2.gz FJVQQTHXGDLEEL-UHFFFAOYSA-N 0 0 376.359 4.171 20 10 GICDRN CN(Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000120865850 823079268 /nfs/dbraw/zinc/07/92/68/823079268.db2.gz KMNJPNBAABLBNB-UHFFFAOYSA-N 0 0 397.519 4.418 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)cc1F ZINC000120962924 823094008 /nfs/dbraw/zinc/09/40/08/823094008.db2.gz JHRJNMYVFZRDAW-UHFFFAOYSA-N 0 0 380.419 4.057 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CSCc2coc(-c3ccccc3)n2)cc1 ZINC000056259894 823114629 /nfs/dbraw/zinc/11/46/29/823114629.db2.gz IALBZHCAYBREBY-UHFFFAOYSA-N 0 0 395.528 4.299 20 10 GICDRN COc1ccc(F)cc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000187887864 823152928 /nfs/dbraw/zinc/15/29/28/823152928.db2.gz LUOZCINGMLLHEU-UHFFFAOYSA-N 0 0 384.407 4.045 20 10 GICDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1c(F)cccc1N1CCCC1 ZINC000571390108 823176150 /nfs/dbraw/zinc/17/61/50/823176150.db2.gz HAWGNYJERADTSA-UHFFFAOYSA-N 0 0 394.494 4.225 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000056756026 823207563 /nfs/dbraw/zinc/20/75/63/823207563.db2.gz WAHIWBQPJOJKFF-MRXNPFEDSA-N 0 0 390.867 4.267 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2sc([C@H](C)OC)nc2C)cc1F ZINC000176575133 823240291 /nfs/dbraw/zinc/24/02/91/823240291.db2.gz SKUPCWGVLFWQRE-ZDUSSCGKSA-N 0 0 379.501 4.074 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000188504423 823252250 /nfs/dbraw/zinc/25/22/50/823252250.db2.gz YCYTZZYSELBLGI-UHFFFAOYSA-N 0 0 388.464 4.062 20 10 GICDRN COc1ccc(N(C)Cc2csc(CC(=O)Nc3ccccc3C)n2)cc1F ZINC000121836230 823260322 /nfs/dbraw/zinc/26/03/22/823260322.db2.gz FBRBYMQMKKOARK-UHFFFAOYSA-N 0 0 399.491 4.417 20 10 GICDRN CC(C)c1nnc(CCC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)o1 ZINC000176667501 823262301 /nfs/dbraw/zinc/26/23/01/823262301.db2.gz QSWZOMDGLSLPTM-UHFFFAOYSA-N 0 0 384.524 4.211 20 10 GICDRN CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C ZINC000057246265 823269989 /nfs/dbraw/zinc/26/99/89/823269989.db2.gz OLMLADLAGOZEMA-UHFFFAOYSA-N 0 0 379.435 4.154 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000004541593 817530992 /nfs/dbraw/zinc/53/09/92/817530992.db2.gz UBWZSBPQSBJGHV-UHFFFAOYSA-N 0 0 384.382 4.168 20 10 GICDRN CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000005643778 817603282 /nfs/dbraw/zinc/60/32/82/817603282.db2.gz MOQKVDUDTIJCLM-UHFFFAOYSA-N 0 0 390.439 4.092 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000005708519 817611152 /nfs/dbraw/zinc/61/11/52/817611152.db2.gz SYBFTOYJVRWQTK-UHFFFAOYSA-N 0 0 386.810 4.321 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1Cl ZINC000121910158 823275386 /nfs/dbraw/zinc/27/53/86/823275386.db2.gz JUDLLTJAEMDEJL-UHFFFAOYSA-N 0 0 398.894 4.226 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cccc(C#N)c2)cc1 ZINC000007105438 817760715 /nfs/dbraw/zinc/76/07/15/817760715.db2.gz PCEHSQCBAUXWTL-UHFFFAOYSA-N 0 0 385.467 4.480 20 10 GICDRN Cc1ccc(NC(=O)NC(=O)CSc2ncc(-c3ccccc3)n2C)c(C)c1 ZINC000007130887 817768591 /nfs/dbraw/zinc/76/85/91/817768591.db2.gz ZKHHPWYSTNHXIQ-UHFFFAOYSA-N 0 0 394.500 4.144 20 10 GICDRN COc1cc(OC)c(OC)cc1C=C1SC(Nc2cccc(C)c2)=NC1=O ZINC000007587315 817875320 /nfs/dbraw/zinc/87/53/20/817875320.db2.gz XOOGBDUVVYNDQP-ZDLGFXPLSA-N 0 0 384.457 4.103 20 10 GICDRN CC(C)[C@H](C)N(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000122027215 823295700 /nfs/dbraw/zinc/29/57/00/823295700.db2.gz PRGCKBNZXCUSAN-HNNXBMFYSA-N 0 0 395.494 4.475 20 10 GICDRN CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(Cl)c1OC ZINC000008117821 818003058 /nfs/dbraw/zinc/00/30/58/818003058.db2.gz GXMTVSFAGVCPCZ-PTNGSMBKSA-N 0 0 380.897 4.204 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000010962383 818035089 /nfs/dbraw/zinc/03/50/89/818035089.db2.gz NGIZXFBYYNGRDP-UHFFFAOYSA-N 0 0 376.456 4.056 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000057624383 823315965 /nfs/dbraw/zinc/31/59/65/823315965.db2.gz OVZZEXXSPVXOOQ-UHFFFAOYSA-N 0 0 398.466 4.311 20 10 GICDRN Cn1c(Cl)cnc1CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000057643008 823317312 /nfs/dbraw/zinc/31/73/12/823317312.db2.gz NDTZLGWAUFNFRK-UHFFFAOYSA-N 0 0 375.881 4.113 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057645698 823318317 /nfs/dbraw/zinc/31/83/17/823318317.db2.gz XCROQDYVWDZWHJ-UHFFFAOYSA-N 0 0 376.504 4.500 20 10 GICDRN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 ZINC000014152174 818225278 /nfs/dbraw/zinc/22/52/78/818225278.db2.gz LQMJAFPDZRCXFJ-AWEZNQCLSA-N 0 0 397.500 4.296 20 10 GICDRN Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc(-c2ccncc2)n1 ZINC000057827470 823338439 /nfs/dbraw/zinc/33/84/39/823338439.db2.gz LFTJNUYRNVMNAK-UHFFFAOYSA-N 0 0 377.517 4.012 20 10 GICDRN CN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)c2cc(Br)ccc21 ZINC000016881075 818486472 /nfs/dbraw/zinc/48/64/72/818486472.db2.gz CJJQDJPAMLAOJK-MFOYZWKCSA-N 0 0 380.245 4.152 20 10 GICDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=C1SC(NC2CCCC2)=NC1=O ZINC000021190819 818663505 /nfs/dbraw/zinc/66/35/05/818663505.db2.gz TVKRDZPSLSDDER-NDENLUEZSA-N 0 0 394.544 4.359 20 10 GICDRN Cc1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)c(C)n1-c1cccc(C)c1 ZINC000122448246 823355588 /nfs/dbraw/zinc/35/55/88/823355588.db2.gz AUQSPHSNDAMIIS-UHFFFAOYSA-N 0 0 389.503 4.136 20 10 GICDRN Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)cs1 ZINC000023745104 818979388 /nfs/dbraw/zinc/97/93/88/818979388.db2.gz PZHJXJBKSMDPEX-UHFFFAOYSA-N 0 0 395.528 4.369 20 10 GICDRN COc1cc2c(cc1NCC(=O)NCc1ccccc1F)oc1ccccc12 ZINC000024224104 819037170 /nfs/dbraw/zinc/03/71/70/819037170.db2.gz BHNDNLLTEROYLX-UHFFFAOYSA-N 0 0 378.403 4.462 20 10 GICDRN COc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1NC(C)=O ZINC000058354558 823382033 /nfs/dbraw/zinc/38/20/33/823382033.db2.gz IZPAIEMYOWRCRM-UHFFFAOYSA-N 0 0 395.434 4.453 20 10 GICDRN Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000024391333 819053843 /nfs/dbraw/zinc/05/38/43/819053843.db2.gz HNSOBQDWGTXKCF-LJQANCHMSA-N 0 0 391.446 4.089 20 10 GICDRN CCN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCCC1 ZINC000122725738 823401226 /nfs/dbraw/zinc/40/12/26/823401226.db2.gz MBQKEYMXKYKACA-UHFFFAOYSA-N 0 0 399.457 4.016 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2[nH]ccc21)c1ccc(N)cc1 ZINC000189447835 823419135 /nfs/dbraw/zinc/41/91/35/823419135.db2.gz FSWSLHVZFCFKHI-INIZCTEOSA-N 0 0 398.466 4.483 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1F)c1ccc(N)cc1 ZINC000189446442 823418482 /nfs/dbraw/zinc/41/84/82/823418482.db2.gz MNVDWKGCVYEKFD-HNNXBMFYSA-N 0 0 377.419 4.141 20 10 GICDRN CCN(CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177298032 823425183 /nfs/dbraw/zinc/42/51/83/823425183.db2.gz LFCISRYFRYOCMC-UHFFFAOYSA-N 0 0 388.895 4.326 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCC1(c2ccccc2)CC1 ZINC000026529529 820109646 /nfs/dbraw/zinc/10/96/46/820109646.db2.gz ICJCMVDFVINERJ-UHFFFAOYSA-N 0 0 377.513 4.027 20 10 GICDRN O=C1N=C(NC2CCCC2)SC1=Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000026762502 820141013 /nfs/dbraw/zinc/14/10/13/820141013.db2.gz OLTNAIHUQJDCJC-GDNBJRDFSA-N 0 0 378.881 4.004 20 10 GICDRN COc1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC ZINC000027156631 820202232 /nfs/dbraw/zinc/20/22/32/820202232.db2.gz OVNLMBGDMUIGIK-GXDHUFHOSA-N 0 0 394.515 4.366 20 10 GICDRN CSCc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)o1 ZINC000029916908 820548239 /nfs/dbraw/zinc/54/82/39/820548239.db2.gz AQAJVNIRCFOJPW-UHFFFAOYSA-N 0 0 391.493 4.454 20 10 GICDRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000059396961 823495258 /nfs/dbraw/zinc/49/52/58/823495258.db2.gz WWRGVCXDWYZAHU-MHWRWJLKSA-N 0 0 387.482 4.124 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000189889333 823510270 /nfs/dbraw/zinc/51/02/70/823510270.db2.gz OWJRKXUUHMAITK-UHFFFAOYSA-N 0 0 394.475 4.090 20 10 GICDRN COC[C@H](C)n1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000189923830 823514492 /nfs/dbraw/zinc/51/44/92/823514492.db2.gz HANGTBCJEZRFMC-INIZCTEOSA-N 0 0 386.496 4.163 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(c2ccccc2)CCOCC1 ZINC000032807665 821010344 /nfs/dbraw/zinc/01/03/44/821010344.db2.gz OQVDKOGCJOYCIX-UHFFFAOYSA-N 0 0 392.543 4.384 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NCc2csc(-c3ccco3)n2)cc1 ZINC000177801157 823527677 /nfs/dbraw/zinc/52/76/77/823527677.db2.gz IOSNFQNAWNZRGB-UHFFFAOYSA-N 0 0 384.505 4.249 20 10 GICDRN CCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000038642808 821098423 /nfs/dbraw/zinc/09/84/23/821098423.db2.gz OKOJVZPEUMMGSO-HSZRJFAPSA-N 0 0 396.531 4.363 20 10 GICDRN O=C(NCCCSc1nccs1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000177794825 823527022 /nfs/dbraw/zinc/52/70/22/823527022.db2.gz YHNQVLSTAOZPBA-ZDUSSCGKSA-N 0 0 383.926 4.102 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000040005894 821125397 /nfs/dbraw/zinc/12/53/97/821125397.db2.gz QJEJGFIEGHSUQS-YVLHZVERSA-N 0 0 389.473 4.244 20 10 GICDRN Cc1ccccc1-n1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C(C)C ZINC000190104053 823537685 /nfs/dbraw/zinc/53/76/85/823537685.db2.gz CEFZAESVHYNAMK-INIZCTEOSA-N 0 0 393.487 4.076 20 10 GICDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1CCc1ccccc1 ZINC000180764594 821442053 /nfs/dbraw/zinc/44/20/53/821442053.db2.gz AQFQWFYFWOPHBA-RAXLEYEMSA-N 0 0 376.484 4.100 20 10 GICDRN COc1ccccc1OCC(=O)Nc1cccc(NCc2cccc(C)c2O)c1 ZINC000180863917 821501255 /nfs/dbraw/zinc/50/12/55/821501255.db2.gz UXPBVSXPUUWSHX-UHFFFAOYSA-N 0 0 392.455 4.339 20 10 GICDRN COCCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000044300262 821562887 /nfs/dbraw/zinc/56/28/87/821562887.db2.gz ZEHBYUDNKGKMGS-UHFFFAOYSA-N 0 0 397.519 4.366 20 10 GICDRN N#Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)c1 ZINC000181032586 821603264 /nfs/dbraw/zinc/60/32/64/821603264.db2.gz BWHKULHZMVFNDC-VZUCSPMQSA-N 0 0 386.407 4.200 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000181226798 821706538 /nfs/dbraw/zinc/70/65/38/821706538.db2.gz OSTWVGXMWLMCNM-YRNVUSSQSA-N 0 0 386.451 4.364 20 10 GICDRN Cc1c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1 ZINC000181236853 821712296 /nfs/dbraw/zinc/71/22/96/821712296.db2.gz DALYVJJWMDOHQS-INIZCTEOSA-N 0 0 380.467 4.330 20 10 GICDRN Cn1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c(C2CCCCC2)n1 ZINC000181285379 821735118 /nfs/dbraw/zinc/73/51/18/821735118.db2.gz AJOYXRFRRDUNFZ-YBEGLDIGSA-N 0 0 384.530 4.269 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(-n2cccn2)n1 ZINC000181578099 821886585 /nfs/dbraw/zinc/88/65/85/821886585.db2.gz ZWXHTFOKJBLRBL-SFHVURJKSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(-n2cccn2)ccn1 ZINC000181580296 821887878 /nfs/dbraw/zinc/88/78/78/821887878.db2.gz SYFPXQCJHNUMBP-SFHVURJKSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000181582946 821889233 /nfs/dbraw/zinc/88/92/33/821889233.db2.gz AHQPTROSMZGFCN-GOSISDBHSA-N 0 0 398.466 4.377 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC000182038065 822070281 /nfs/dbraw/zinc/07/02/81/822070281.db2.gz PNMANJALMGDONU-UHFFFAOYSA-N 0 0 398.890 4.433 20 10 GICDRN CCCc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cnn1-c1cccc(F)c1 ZINC000182167482 822127808 /nfs/dbraw/zinc/12/78/08/822127808.db2.gz CZOSCTYYQMAWRW-CSKARUKUSA-N 0 0 381.407 4.027 20 10 GICDRN COc1ccc(O)c([C@H](C)NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000182361146 822215391 /nfs/dbraw/zinc/21/53/91/822215391.db2.gz ICNCWXOJRWGVQM-NSHDSACASA-N 0 0 393.365 4.320 20 10 GICDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000178092806 822316239 /nfs/dbraw/zinc/31/62/39/822316239.db2.gz ZNEZSXIBEKYEKN-FJZVYHFZSA-N 0 0 390.524 4.043 20 10 GICDRN CCC(CC)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000045169719 822367784 /nfs/dbraw/zinc/36/77/84/822367784.db2.gz DURLJDBMJREJDJ-KAMYIIQDSA-N 0 0 382.576 4.034 20 10 GICDRN C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182958410 822399809 /nfs/dbraw/zinc/39/98/09/822399809.db2.gz GBPQYYVKXAWCNU-OAHLLOKOSA-N 0 0 383.467 4.184 20 10 GICDRN Cc1ccc2ncc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)n2c1 ZINC000178766401 822408226 /nfs/dbraw/zinc/40/82/26/822408226.db2.gz IZZZQWYGXVRWMN-LICLKQGHSA-N 0 0 394.525 4.115 20 10 GICDRN COc1ccc(N2CCN(Cc3coc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000045735209 822409449 /nfs/dbraw/zinc/40/94/49/822409449.db2.gz HCADSKSAUCLWLY-UHFFFAOYSA-N 0 0 383.879 4.326 20 10 GICDRN C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000183042498 822416453 /nfs/dbraw/zinc/41/64/53/822416453.db2.gz ZJMOOCVOMCTNHD-QGZVFWFLSA-N 0 0 399.510 4.456 20 10 GICDRN CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000178857318 822416914 /nfs/dbraw/zinc/41/69/14/822416914.db2.gz LCQNCILYNYHJAK-UHFFFAOYSA-N 0 0 383.275 4.168 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000045872865 822420575 /nfs/dbraw/zinc/42/05/75/822420575.db2.gz GFONZHOMUXXYHS-UHFFFAOYSA-N 0 0 387.483 4.277 20 10 GICDRN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccccc1 ZINC000179144177 822442848 /nfs/dbraw/zinc/44/28/48/822442848.db2.gz GAEXTTLEEYIZFO-SFHVURJKSA-N 0 0 380.410 4.031 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000183471865 822480232 /nfs/dbraw/zinc/48/02/32/822480232.db2.gz MHMCJURVAOPYKJ-OAHLLOKOSA-N 0 0 399.450 4.069 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000046599229 822490354 /nfs/dbraw/zinc/49/03/54/822490354.db2.gz OULOPJDVXKJLAD-UHFFFAOYSA-N 0 0 398.422 4.477 20 10 GICDRN O=C1/C(=C/c2cc(F)ccc2Br)SC(=S)N1c1cccnc1 ZINC000179499215 822491846 /nfs/dbraw/zinc/49/18/46/822491846.db2.gz PNLOCYUXMFPACQ-QPEQYQDCSA-N 0 0 395.278 4.389 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)c(O)c1O ZINC000179503171 822492512 /nfs/dbraw/zinc/49/25/12/822492512.db2.gz UUFHIVMVECDVLB-MUUNZHRXSA-N 0 0 395.480 4.107 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000046618387 822493798 /nfs/dbraw/zinc/49/37/98/822493798.db2.gz JHUZHJXBPBZDPW-KRWDZBQOSA-N 0 0 399.535 4.371 20 10 GICDRN CCC(CC)[C@H]1C[C@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000183756801 822523010 /nfs/dbraw/zinc/52/30/10/822523010.db2.gz LSLFYZVKMFENFC-TZIWHRDSSA-N 0 0 375.557 4.268 20 10 GICDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047040806 822539321 /nfs/dbraw/zinc/53/93/21/822539321.db2.gz BSDWYKOVBCSJNW-INIZCTEOSA-N 0 0 387.524 4.282 20 10 GICDRN Cc1cc(C(=O)NC2(c3noc(C)n3)CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000047232956 822556702 /nfs/dbraw/zinc/55/67/02/822556702.db2.gz RSWAEFDROWPTAJ-UHFFFAOYSA-N 0 0 382.439 4.124 20 10 GICDRN CC(C)(C)c1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000047337260 822568254 /nfs/dbraw/zinc/56/82/54/822568254.db2.gz UDOFUJDCHHIMTA-UHFFFAOYSA-N 0 0 385.483 4.282 20 10 GICDRN CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccnc2)SC1=S ZINC000047548929 822589626 /nfs/dbraw/zinc/58/96/26/822589626.db2.gz PEKVNXWHKIXZLH-OVCLIPMQSA-N 0 0 376.890 4.145 20 10 GICDRN COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000184464379 822640460 /nfs/dbraw/zinc/64/04/60/822640460.db2.gz YLACWZLUKKAECJ-FQEVSTJZSA-N 0 0 383.492 4.073 20 10 GICDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000180428454 822680128 /nfs/dbraw/zinc/68/01/28/822680128.db2.gz LCCIWYIUUOWTDO-UHFFFAOYSA-N 0 0 377.410 4.046 20 10 GICDRN CCN(CC)c1ccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180508580 822693550 /nfs/dbraw/zinc/69/35/50/822693550.db2.gz CMFNYVPRVIQZLU-JOCHJYFZSA-N 0 0 384.474 4.424 20 10 GICDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000049153941 822693939 /nfs/dbraw/zinc/69/39/39/822693939.db2.gz XHQNZMGFJCSLEB-UHFFFAOYSA-N 0 0 397.544 4.042 20 10 GICDRN COc1ccc(N(Cc2cc(-c3cnn(C)c3)no2)Cc2cccs2)cc1 ZINC000185031767 822727340 /nfs/dbraw/zinc/72/73/40/822727340.db2.gz JISKQJZDNFAYIC-UHFFFAOYSA-N 0 0 380.473 4.352 20 10 GICDRN C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(F)cc1[O-] ZINC000185074421 822733183 /nfs/dbraw/zinc/73/31/83/822733183.db2.gz GBDDPKSSKAHPBH-INIZCTEOSA-N 0 0 382.435 4.235 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000050554886 822733510 /nfs/dbraw/zinc/73/35/10/822733510.db2.gz BRZZTOVPHCYJKG-UHFFFAOYSA-N 0 0 396.472 4.057 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(F)cc1F ZINC000174334006 822773156 /nfs/dbraw/zinc/77/31/56/822773156.db2.gz DRKYLYQCYUNCCL-UHFFFAOYSA-N 0 0 385.208 4.487 20 10 GICDRN CCOc1cccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1O ZINC000185389718 822777249 /nfs/dbraw/zinc/77/72/49/822777249.db2.gz GJLUWFSUFODDMI-UHFFFAOYSA-N 0 0 392.503 4.312 20 10 GICDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cc1[O-] ZINC000185447250 822785392 /nfs/dbraw/zinc/78/53/92/822785392.db2.gz NMOYWIBVOUUUAI-OAHLLOKOSA-N 0 0 394.450 4.099 20 10 GICDRN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000174443835 822790551 /nfs/dbraw/zinc/79/05/51/822790551.db2.gz WSSURVBAPRPEEH-ZDUSSCGKSA-N 0 0 378.517 4.122 20 10 GICDRN Cc1oc2ccccc2c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000185593465 822800227 /nfs/dbraw/zinc/80/02/27/822800227.db2.gz WCVDHRROZCSINE-GOSISDBHSA-N 0 0 394.471 4.338 20 10 GICDRN COc1ccc(C)cc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686768 822807401 /nfs/dbraw/zinc/80/74/01/822807401.db2.gz HEGXDFHPLRPFLL-UHFFFAOYSA-N 0 0 381.520 4.064 20 10 GICDRN CCOc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686770 822807411 /nfs/dbraw/zinc/80/74/11/822807411.db2.gz MIIKTUINIOACBP-UHFFFAOYSA-N 0 0 381.520 4.146 20 10 GICDRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1ccc(N2CCCC2)cc1 ZINC000185711624 822813001 /nfs/dbraw/zinc/81/30/01/822813001.db2.gz CHGQOHRSHSKFRF-UHFFFAOYSA-N 0 0 395.503 4.408 20 10 GICDRN CCOCc1ccccc1CNC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000053571061 822841161 /nfs/dbraw/zinc/84/11/61/822841161.db2.gz AKYKADUWSMPXBK-UHFFFAOYSA-N 0 0 395.528 4.032 20 10 GICDRN Cc1cccc2nc(CNC(=O)N(Cc3ccccc3O)C3CCCCC3)cn21 ZINC000174821811 822842065 /nfs/dbraw/zinc/84/20/65/822842065.db2.gz QLTKDXXNMHOWLE-UHFFFAOYSA-N 0 0 392.503 4.393 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000053661978 822844056 /nfs/dbraw/zinc/84/40/56/822844056.db2.gz OHBMSRUWFBUYLR-UHFFFAOYSA-N 0 0 384.568 4.203 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000174900140 822852774 /nfs/dbraw/zinc/85/27/74/822852774.db2.gz UFBZMGAVBNNJOV-ZWKOTPCHSA-N 0 0 381.520 4.155 20 10 GICDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000186211361 822861212 /nfs/dbraw/zinc/86/12/12/822861212.db2.gz CAIJZJRKRLVEHE-CTNGQTDRSA-N 0 0 386.492 4.291 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000054072140 822861414 /nfs/dbraw/zinc/86/14/14/822861414.db2.gz UCJQZZNSBVWDQT-INIZCTEOSA-N 0 0 385.508 4.063 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1O ZINC000175025713 822870123 /nfs/dbraw/zinc/87/01/23/822870123.db2.gz UDMSXCRUUGKULT-KRWDZBQOSA-N 0 0 382.485 4.246 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(OC2CCCC2)c1 ZINC000054407524 822882800 /nfs/dbraw/zinc/88/28/00/822882800.db2.gz DTHIGVHQHZQSQN-UHFFFAOYSA-N 0 0 395.503 4.166 20 10 GICDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Sc2ccccc2)n1 ZINC000186406599 822889416 /nfs/dbraw/zinc/88/94/16/822889416.db2.gz SGKOAGBVOLJYON-OAHLLOKOSA-N 0 0 394.496 4.313 20 10 GICDRN C[C@H](NCc1nc(COc2ccccc2)n[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000186432130 822894030 /nfs/dbraw/zinc/89/40/30/822894030.db2.gz MHXZRKMXFNBPGO-SFHVURJKSA-N 0 0 391.519 4.225 20 10 GICDRN C[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000054549221 822894942 /nfs/dbraw/zinc/89/49/42/822894942.db2.gz XZTMZGFOLMCGJQ-PKOBYXMFSA-N 0 0 399.560 4.222 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000054950624 822924499 /nfs/dbraw/zinc/92/44/99/822924499.db2.gz JUHDCFJVLYUIEQ-KRWDZBQOSA-N 0 0 391.519 4.456 20 10 GICDRN Cc1cc(C(=O)Cn2ccnc2[C@H](O)c2ccco2)c(C)n1-c1cccc(C)c1 ZINC000186795356 822956665 /nfs/dbraw/zinc/95/66/65/822956665.db2.gz VWUHJBPKOQJXPF-JOCHJYFZSA-N 0 0 389.455 4.157 20 10 GICDRN Cc1noc(CSc2ccccc2C(=O)N2CCS[C@H]3CCCC[C@H]32)n1 ZINC000175476650 822978198 /nfs/dbraw/zinc/97/81/98/822978198.db2.gz CXENERKSCJXNMS-WBVHZDCISA-N 0 0 389.546 4.171 20 10 GICDRN C[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000175505598 822985572 /nfs/dbraw/zinc/98/55/72/822985572.db2.gz WGOKKCXHKFWWPF-OXJNMPFZSA-N 0 0 398.503 4.253 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)cc1 ZINC000187022022 822999105 /nfs/dbraw/zinc/99/91/05/822999105.db2.gz JINRIRAXTLUCTG-UHFFFAOYSA-N 0 0 375.419 4.161 20 10 GICDRN CCc1ccc([C@H](COC)NC(=O)N(Cc2ccco2)Cc2ccccc2O)o1 ZINC000175630537 823009846 /nfs/dbraw/zinc/00/98/46/823009846.db2.gz AERIKHOZIXUYEV-IBGZPJMESA-N 0 0 398.459 4.240 20 10 GICDRN Cc1ncc(/C=C/C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)s1 ZINC000187301605 823039590 /nfs/dbraw/zinc/03/95/90/823039590.db2.gz QASIUFABDOSLCN-VAWYXSNFSA-N 0 0 378.501 4.159 20 10 GICDRN CC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(C)noc1C ZINC000123846493 823545142 /nfs/dbraw/zinc/54/51/42/823545142.db2.gz ZEMLUOSVNNZXGR-GOSISDBHSA-N 0 0 383.448 4.453 20 10 GICDRN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)c1 ZINC000123909624 823551003 /nfs/dbraw/zinc/55/10/03/823551003.db2.gz PJXODDSYPPHDMW-ATVHPVEESA-N 0 0 381.526 4.396 20 10 GICDRN CC(C)N(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cn1 ZINC000190394959 823569207 /nfs/dbraw/zinc/56/92/07/823569207.db2.gz FMHRFIHEBCFFAM-GZTJUZNOSA-N 0 0 383.542 4.328 20 10 GICDRN O=C(Nc1ccccc1OC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124139522 823571088 /nfs/dbraw/zinc/57/10/88/823571088.db2.gz SFGXWEQWVWYMFY-OAHLLOKOSA-N 0 0 392.402 4.207 20 10 GICDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C(C)C ZINC000124305799 823585928 /nfs/dbraw/zinc/58/59/28/823585928.db2.gz KZOCRDPWAHWEIO-UHFFFAOYSA-N 0 0 399.560 4.132 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCC[C@@H](C)C(C)=O ZINC000124435095 823596435 /nfs/dbraw/zinc/59/64/35/823596435.db2.gz LBAYMTWQQQUCFN-CYBMUJFWSA-N 0 0 384.314 4.289 20 10 GICDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000062514835 823639578 /nfs/dbraw/zinc/63/95/78/823639578.db2.gz JSODORBKMNJQAZ-UTKZUKDTSA-N 0 0 375.472 4.091 20 10 GICDRN COc1cccc(CNC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1O ZINC000191099318 823649027 /nfs/dbraw/zinc/64/90/27/823649027.db2.gz QZTTYAYGBLRCRN-LBPRGKRZSA-N 0 0 382.382 4.023 20 10 GICDRN CCN(Cc1ccccc1)c1ccc(CNc2nnc(-c3cnn(C)c3)o2)cc1 ZINC000191128816 823652071 /nfs/dbraw/zinc/65/20/71/823652071.db2.gz TYDCYLUVKTUJJK-UHFFFAOYSA-N 0 0 388.475 4.109 20 10 GICDRN CCCOc1ccc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000125133153 823653943 /nfs/dbraw/zinc/65/39/43/823653943.db2.gz ZDAHNFVDMHRSAY-UHFFFAOYSA-N 0 0 383.492 4.275 20 10 GICDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125336217 823668816 /nfs/dbraw/zinc/66/88/16/823668816.db2.gz UNOGQFSQJUMBAY-CQSZACIVSA-N 0 0 387.382 4.260 20 10 GICDRN COc1ccc(N(C)CC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1OC ZINC000063617577 823683568 /nfs/dbraw/zinc/68/35/68/823683568.db2.gz SWYIOBAYHLYSOC-IBGZPJMESA-N 0 0 376.522 4.105 20 10 GICDRN CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc2nsnc21 ZINC000063848736 823701654 /nfs/dbraw/zinc/70/16/54/823701654.db2.gz YVPIDSBKOUAXQC-UHFFFAOYSA-N 0 0 381.482 4.183 20 10 GICDRN O=C(NCCC1=CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000125794763 823711970 /nfs/dbraw/zinc/71/19/70/823711970.db2.gz LYCZVHGZLFCVAC-UHFFFAOYSA-N 0 0 379.451 4.056 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(C)(C)c1ccccc1 ZINC000125806802 823715837 /nfs/dbraw/zinc/71/58/37/823715837.db2.gz NOOQWDMOXLANMN-UHFFFAOYSA-N 0 0 380.532 4.240 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000125818947 823718671 /nfs/dbraw/zinc/71/86/71/823718671.db2.gz VHJDVUDYMZTAAJ-UHFFFAOYSA-N 0 0 399.560 4.020 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)s1 ZINC000164022308 823770882 /nfs/dbraw/zinc/77/08/82/823770882.db2.gz FMTNMIIZGXWDQN-OAHLLOKOSA-N 0 0 389.590 4.175 20 10 GICDRN CSc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164312411 823794946 /nfs/dbraw/zinc/79/49/46/823794946.db2.gz PUHSPZMGWNSQDD-UHFFFAOYSA-N 0 0 398.528 4.414 20 10 GICDRN COCN1c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2CCC1=O ZINC000191952995 823822744 /nfs/dbraw/zinc/82/27/44/823822744.db2.gz LLXDJLSODYBGOY-UHFFFAOYSA-N 0 0 379.504 4.172 20 10 GICDRN CCOc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C(F)(F)F)c1 ZINC000064564372 823847875 /nfs/dbraw/zinc/84/78/75/823847875.db2.gz DHOCFTFJCLOYJZ-UHFFFAOYSA-N 0 0 381.398 4.492 20 10 GICDRN O=C1/C(=C/c2cnn(-c3ccccc3)c2)SC(=S)N1CCc1cccs1 ZINC000170811087 823977431 /nfs/dbraw/zinc/97/74/31/823977431.db2.gz RGWYAVLKDXUXOQ-BOPFTXTBSA-N 0 0 397.550 4.378 20 10 GICDRN CC(C)Oc1cccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c1 ZINC000170811113 823977599 /nfs/dbraw/zinc/97/75/99/823977599.db2.gz IFQSUCLINORFHK-PDGQHHTCSA-N 0 0 384.526 4.313 20 10 GICDRN CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000170818419 823979118 /nfs/dbraw/zinc/97/91/18/823979118.db2.gz UCLMHEJPLIWADB-SFTDATJTSA-N 0 0 382.504 4.104 20 10 GICDRN O=C(CSc1nnc(-c2cccc3ccccc32)o1)c1ccc(O)c(O)c1 ZINC000126950252 823987595 /nfs/dbraw/zinc/98/75/95/823987595.db2.gz YJCZAPCQOLRDLO-UHFFFAOYSA-N 0 0 378.409 4.276 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000127030732 824003556 /nfs/dbraw/zinc/00/35/56/824003556.db2.gz MFIARPDCTNMDMN-OAQYLSRUSA-N 0 0 399.560 4.268 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000170996983 824031819 /nfs/dbraw/zinc/03/18/19/824031819.db2.gz RYCURUUXJRQXHQ-UHFFFAOYSA-N 0 0 395.272 4.416 20 10 GICDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192644734 824054755 /nfs/dbraw/zinc/05/47/55/824054755.db2.gz QAHLIKSXIVJUDM-NSHDSACASA-N 0 0 383.275 4.247 20 10 GICDRN O=C(NCCCSc1nccs1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000187362256 823049799 /nfs/dbraw/zinc/04/97/99/823049799.db2.gz MHRPADOPFCHGKL-GFCCVEGCSA-N 0 0 383.489 4.103 20 10 GICDRN O=C(c1cc(F)c(F)c(F)c1F)N(Cc1ccco1)Cc1ccccc1O ZINC000120761337 823058810 /nfs/dbraw/zinc/05/88/10/823058810.db2.gz HWTIYWOXNWEGPA-UHFFFAOYSA-N 0 0 379.309 4.384 20 10 GICDRN O=C(c1cc(F)c(F)cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120825641 823072053 /nfs/dbraw/zinc/07/20/53/823072053.db2.gz PKESEMFIKOWFIT-CYBMUJFWSA-N 0 0 381.806 4.145 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@]34CCCc3ccccc34)CC2)cc1 ZINC000175909078 823069988 /nfs/dbraw/zinc/06/99/88/823069988.db2.gz DGDIWYZCRKIBTR-ZCYQVOJMSA-N 0 0 390.527 4.074 20 10 GICDRN CCN(CC)c1ccc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187519790 823080113 /nfs/dbraw/zinc/08/01/13/823080113.db2.gz VGKOYAGHTMZJMO-JOCHJYFZSA-N 0 0 384.474 4.424 20 10 GICDRN Cn1c(=O)oc2cc(NC(=O)N(Cc3ccccc3O)C3CCCCC3)ccc21 ZINC000176098316 823119313 /nfs/dbraw/zinc/11/93/13/823119313.db2.gz MZLIKOPGXFBWQU-UHFFFAOYSA-N 0 0 395.459 4.204 20 10 GICDRN CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])ccc2NC1=O ZINC000187743151 823123620 /nfs/dbraw/zinc/12/36/20/823123620.db2.gz SKURJXGBQYZSMM-GDLVEWKHSA-N 0 0 376.403 4.192 20 10 GICDRN COc1ccc(N2CCCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000056374184 823139198 /nfs/dbraw/zinc/13/91/98/823139198.db2.gz UREKSTKFCHYHNT-QFIPXVFZSA-N 0 0 379.504 4.068 20 10 GICDRN CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187866499 823149296 /nfs/dbraw/zinc/14/92/96/823149296.db2.gz RCNSEQCRQUYPTQ-UHFFFAOYSA-N 0 0 376.504 4.500 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 ZINC000056561185 823170273 /nfs/dbraw/zinc/17/02/73/823170273.db2.gz HWYQTXRLQYCUOX-UHFFFAOYSA-N 0 0 394.519 4.040 20 10 GICDRN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000121429495 823182979 /nfs/dbraw/zinc/18/29/79/823182979.db2.gz MFKDAITZFSUJBR-UHFFFAOYSA-N 0 0 386.757 4.162 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000176313244 823179686 /nfs/dbraw/zinc/17/96/86/823179686.db2.gz ZDWSQZQSHHHIQJ-CQSZACIVSA-N 0 0 395.463 4.123 20 10 GICDRN O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccc(Br)cc1 ZINC000176327087 823182637 /nfs/dbraw/zinc/18/26/37/823182637.db2.gz BFGNHLMZLJROQY-ZROIWOOFSA-N 0 0 391.315 4.246 20 10 GICDRN O=C(CCc1ccc(Br)cc1)NCCCSc1nccs1 ZINC000176376222 823194019 /nfs/dbraw/zinc/19/40/19/823194019.db2.gz JKAYRQKMKJKWBZ-UHFFFAOYSA-N 0 0 385.352 4.137 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056805828 823217313 /nfs/dbraw/zinc/21/73/13/823217313.db2.gz YKHDNOHOALKWER-IBGZPJMESA-N 0 0 385.895 4.263 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056876666 823226894 /nfs/dbraw/zinc/22/68/94/823226894.db2.gz VNWOQXABGFSUCI-NRFANRHFSA-N 0 0 399.922 4.223 20 10 GICDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000056889656 823228428 /nfs/dbraw/zinc/22/84/28/823228428.db2.gz XYCVNPXPDLRIMP-OAQYLSRUSA-N 0 0 397.494 4.017 20 10 GICDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000056889655 823228520 /nfs/dbraw/zinc/22/85/20/823228520.db2.gz XYCVNPXPDLRIMP-NRFANRHFSA-N 0 0 397.494 4.017 20 10 GICDRN CCOc1ccc(O)c(CNc2cc(Br)c(OC)cc2OC)c1 ZINC000121783581 823250471 /nfs/dbraw/zinc/25/04/71/823250471.db2.gz DTJDBRFNZQSCQD-UHFFFAOYSA-N 0 0 382.254 4.183 20 10 GICDRN CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000176646697 823256762 /nfs/dbraw/zinc/25/67/62/823256762.db2.gz HAUMHDUYNSRPQG-SFHVURJKSA-N 0 0 396.531 4.003 20 10 GICDRN O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Br)cc1 ZINC000001476262 817376823 /nfs/dbraw/zinc/37/68/23/817376823.db2.gz RDQOLWVCRPFWBN-MDWZMJQESA-N 0 0 377.288 4.250 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000057225217 823266875 /nfs/dbraw/zinc/26/68/75/823266875.db2.gz LYBBYWOZCWXQBU-UHFFFAOYSA-N 0 0 384.495 4.037 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)s1 ZINC000121872232 823267389 /nfs/dbraw/zinc/26/73/89/823267389.db2.gz NYEZDZUAKFTOGR-GXDHUFHOSA-N 0 0 376.528 4.229 20 10 GICDRN Cc1cc(C(=O)CSc2nnc3nc(C)cc(C)n32)c(C)n1-c1ccccc1 ZINC000004843793 817537218 /nfs/dbraw/zinc/53/72/18/817537218.db2.gz YMPQTXCVWAHOEL-UHFFFAOYSA-N 0 0 391.500 4.124 20 10 GICDRN COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000005925087 817630811 /nfs/dbraw/zinc/63/08/11/817630811.db2.gz LVIWRBHCIOVPCX-UHFFFAOYSA-N 0 0 392.455 4.207 20 10 GICDRN CC[C@H](C)[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000057304228 823277424 /nfs/dbraw/zinc/27/74/24/823277424.db2.gz AKJBYOYDNDYRTE-BUJPYTEUSA-N 0 0 396.603 4.280 20 10 GICDRN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccnc1 ZINC000006366777 817684138 /nfs/dbraw/zinc/68/41/38/817684138.db2.gz JJNFIIBVOQHZBF-QPEQYQDCSA-N 0 0 377.834 4.049 20 10 GICDRN CN(C)c1ccc(CNC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000007500538 817856230 /nfs/dbraw/zinc/85/62/30/817856230.db2.gz MQKVWRMANIEJDA-UHFFFAOYSA-N 0 0 379.982 4.162 20 10 GICDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC ZINC000010962064 818035063 /nfs/dbraw/zinc/03/50/63/818035063.db2.gz JCYYQQTVMDEWBW-UHFFFAOYSA-N 0 0 382.504 4.356 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3ccccn3)c2C)c1 ZINC000011027099 818045107 /nfs/dbraw/zinc/04/51/07/818045107.db2.gz ASWOVIBIDANMPV-UHFFFAOYSA-N 0 0 380.469 4.251 20 10 GICDRN COc1cc2c(cc1NCC(=O)NCc1ccc(F)cc1)oc1ccccc12 ZINC000011619286 818100619 /nfs/dbraw/zinc/10/06/19/818100619.db2.gz BFIGLQDLWVBUAL-UHFFFAOYSA-N 0 0 378.403 4.462 20 10 GICDRN COc1cc(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)ccc1SC ZINC000057662251 823319797 /nfs/dbraw/zinc/31/97/97/823319797.db2.gz VXTTVRNGXWUSCF-UHFFFAOYSA-N 0 0 399.560 4.141 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000014099551 818222693 /nfs/dbraw/zinc/22/26/93/818222693.db2.gz CJPVYLRKUTUDFG-UHFFFAOYSA-N 0 0 387.332 4.270 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000014099547 818222706 /nfs/dbraw/zinc/22/27/06/818222706.db2.gz PVPSPDLRVPYRJF-UHFFFAOYSA-N 0 0 387.332 4.270 20 10 GICDRN O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)cc2)N1C[C@@H]1CCCO1 ZINC000015503786 818331684 /nfs/dbraw/zinc/33/16/84/818331684.db2.gz LQJLEXJHUWFUEM-REWPJTCUSA-N 0 0 391.515 4.422 20 10 GICDRN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccnc1 ZINC000016441151 818442125 /nfs/dbraw/zinc/44/21/25/818442125.db2.gz BEEQAVIUTJSTHN-JYRVWZFOSA-N 0 0 377.288 4.250 20 10 GICDRN CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000018150328 818551031 /nfs/dbraw/zinc/55/10/31/818551031.db2.gz PVYBTFZOQHGMIJ-UHFFFAOYSA-N 0 0 376.884 4.086 20 10 GICDRN CCOC(=O)c1ccc(NC(=S)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000018165729 818553571 /nfs/dbraw/zinc/55/35/71/818553571.db2.gz XDGIKNPFZUBFPB-UHFFFAOYSA-N 0 0 385.533 4.148 20 10 GICDRN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122465577 823358415 /nfs/dbraw/zinc/35/84/15/823358415.db2.gz UFKCZTHUUGKHMU-UHFFFAOYSA-N 0 0 389.952 4.235 20 10 GICDRN COc1cccc(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)SC2=S)c1 ZINC000022226083 818784142 /nfs/dbraw/zinc/78/41/42/818784142.db2.gz HZVRHNBSSQDYOH-WOJGMQOQSA-N 0 0 393.493 4.287 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1OCc1ccccn1 ZINC000022504146 818818809 /nfs/dbraw/zinc/81/88/09/818818809.db2.gz KYVKMPNJUJOYEZ-RGEXLXHISA-N 0 0 379.485 4.117 20 10 GICDRN COc1cccc(F)c1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522692 823366697 /nfs/dbraw/zinc/36/66/97/823366697.db2.gz FVBQYBJEXNLUAW-HUUCEWRRSA-N 0 0 376.447 4.222 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)COc3cccnc3[N+](=O)[O-])c2C)c1 ZINC000023551219 818957840 /nfs/dbraw/zinc/95/78/40/818957840.db2.gz NYKMIWBDLHTSPI-UHFFFAOYSA-N 0 0 397.456 4.381 20 10 GICDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000189218529 823377511 /nfs/dbraw/zinc/37/75/11/823377511.db2.gz CGHLZTJOBOUSAW-KRWDZBQOSA-N 0 0 381.442 4.183 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000024187425 819031044 /nfs/dbraw/zinc/03/10/44/819031044.db2.gz YGTKAVZBFTYQCN-UHFFFAOYSA-N 0 0 379.504 4.154 20 10 GICDRN CCc1nc2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000024207974 819034066 /nfs/dbraw/zinc/03/40/66/819034066.db2.gz GWKXNDPSQXAEMP-UHFFFAOYSA-N 0 0 390.531 4.248 20 10 GICDRN Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c(C)n1-c1cccc(C)c1 ZINC000024391673 819053971 /nfs/dbraw/zinc/05/39/71/819053971.db2.gz ZXOTUIZJHWYNCV-HXUWFJFHSA-N 0 0 387.483 4.258 20 10 GICDRN O=C(/C=C/c1cnc2ccccc2n1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000122628618 823384308 /nfs/dbraw/zinc/38/43/08/823384308.db2.gz NIRWGMWISUCQOG-FMIVXFBMSA-N 0 0 384.414 4.411 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000058467002 823395919 /nfs/dbraw/zinc/39/59/19/823395919.db2.gz PHRTUOOFVQZXGA-UHFFFAOYSA-N 0 0 382.689 4.490 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(F)ccc1F)c1ccc(N)cc1 ZINC000189449722 823419386 /nfs/dbraw/zinc/41/93/86/823419386.db2.gz JSDOMIIBZHNFAW-AWEZNQCLSA-N 0 0 395.409 4.280 20 10 GICDRN Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058645734 823423660 /nfs/dbraw/zinc/42/36/60/823423660.db2.gz ZDWUTGKXFIHAMZ-UHFFFAOYSA-N 0 0 395.438 4.104 20 10 GICDRN Cc1cc(C(=O)N2CCCCC[C@@H]2c2ncon2)c(C)n1-c1ccc(C#N)cc1 ZINC000189564227 823444913 /nfs/dbraw/zinc/44/49/13/823444913.db2.gz RXGNLNFQMGUZCL-HXUWFJFHSA-N 0 0 389.459 4.106 20 10 GICDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000027157197 820202147 /nfs/dbraw/zinc/20/21/47/820202147.db2.gz GYFVHUGZLVMMFW-UHFFFAOYSA-N 0 0 397.475 4.256 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2C)cc1 ZINC000027225936 820212522 /nfs/dbraw/zinc/21/25/22/820212522.db2.gz XPWKRRTWBUJYMU-UHFFFAOYSA-N 0 0 391.471 4.057 20 10 GICDRN O=C1/C(=C/c2ccc(-n3ccnc3)cc2)SC(=S)N1Cc1ccccc1 ZINC000028963736 820377592 /nfs/dbraw/zinc/37/75/92/820377592.db2.gz JWSUAIUABKVNBA-PDGQHHTCSA-N 0 0 377.494 4.274 20 10 GICDRN O=C1/C(=C\c2ccc(-n3ccnc3)cc2)SC(=S)N1c1ccccc1F ZINC000028963868 820377709 /nfs/dbraw/zinc/37/77/09/820377709.db2.gz KJEQYFZHCKKICD-GZTJUZNOSA-N 0 0 381.457 4.417 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1I ZINC000030826745 820688320 /nfs/dbraw/zinc/68/83/20/820688320.db2.gz GAGAQCMZTGFEMJ-UHFFFAOYSA-N 0 0 392.240 4.144 20 10 GICDRN C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000060106021 823508610 /nfs/dbraw/zinc/50/86/10/823508610.db2.gz OAPNRUMPOQEFQE-GOSISDBHSA-N 0 0 396.506 4.352 20 10 GICDRN Cc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(O)c1O ZINC000177673220 823511692 /nfs/dbraw/zinc/51/16/92/823511692.db2.gz AURDCCSDYXRJIQ-UHFFFAOYSA-N 0 0 386.835 4.221 20 10 GICDRN COc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000035039070 821063922 /nfs/dbraw/zinc/06/39/22/821063922.db2.gz HSXUGSJZIBHQQC-WOJGMQOQSA-N 0 0 399.493 4.312 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1 ZINC000042047524 821257334 /nfs/dbraw/zinc/25/73/34/821257334.db2.gz LMIIILZHMBGNCI-UHFFFAOYSA-N 0 0 387.483 4.401 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000180654408 821384405 /nfs/dbraw/zinc/38/44/05/821384405.db2.gz PUUHIMOKNMNBNG-UXBLZVDNSA-N 0 0 392.436 4.297 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1CN1CCc2ccccc21 ZINC000180677563 821392091 /nfs/dbraw/zinc/39/20/91/821392091.db2.gz OOBSAXYNWSCBPN-ZRDIBKRKSA-N 0 0 386.451 4.312 20 10 GICDRN COc1ccc2[nH]cc(C3CCN(C(=O)/C=C/c4ccc(O)c(O)c4)CC3)c2c1 ZINC000180701283 821403870 /nfs/dbraw/zinc/40/38/70/821403870.db2.gz NDVCQWCMLSXOGS-XVNBXDOJSA-N 0 0 392.455 4.007 20 10 GICDRN COc1cc(N(C)Cc2c[nH]nc2-c2c(F)cccc2F)cc(OC)c1OC ZINC000180758290 821438039 /nfs/dbraw/zinc/43/80/39/821438039.db2.gz DIPJGPHFHZVYOW-UHFFFAOYSA-N 0 0 389.402 4.017 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1cccc(C)c1 ZINC000044029907 821506851 /nfs/dbraw/zinc/50/68/51/821506851.db2.gz VFGDXXVTMZRELH-UHFFFAOYSA-N 0 0 380.517 4.383 20 10 GICDRN Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1NC(=O)c1ccccc1 ZINC000180956122 821555440 /nfs/dbraw/zinc/55/54/40/821555440.db2.gz VAUJFXDJBBPIRP-ACCUITESSA-N 0 0 388.423 4.310 20 10 GICDRN COc1ccc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2)cc1 ZINC000180975388 821567222 /nfs/dbraw/zinc/56/72/22/821567222.db2.gz GQNRYUPNDCVYLS-XOTIWOPOSA-N 0 0 393.414 4.165 20 10 GICDRN CCC(=O)Nc1ccc(C)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000044548203 821606411 /nfs/dbraw/zinc/60/64/11/821606411.db2.gz QMAGFMKCARFWKT-UHFFFAOYSA-N 0 0 376.416 4.160 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000181121004 821646239 /nfs/dbraw/zinc/64/62/39/821646239.db2.gz WGHOYTQYFNZWOO-VIFPVBQESA-N 0 0 376.363 4.097 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000182202407 822144801 /nfs/dbraw/zinc/14/48/01/822144801.db2.gz NQHNSQMFZQEJND-CYBMUJFWSA-N 0 0 397.441 4.310 20 10 GICDRN COc1ccc(O)c([C@H](C)NCc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000182381225 822222818 /nfs/dbraw/zinc/22/28/18/822222818.db2.gz ZEOYEWXYJDUSPL-AWEZNQCLSA-N 0 0 397.500 4.393 20 10 GICDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000182569763 822306948 /nfs/dbraw/zinc/30/69/48/822306948.db2.gz AWOSUPVIVZKYJB-LJQANCHMSA-N 0 0 387.503 4.059 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1OCC(F)F ZINC000178236877 822357348 /nfs/dbraw/zinc/35/73/48/822357348.db2.gz DLTSBUBJWUEMIM-UHFFFAOYSA-N 0 0 375.419 4.252 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000045351282 822380609 /nfs/dbraw/zinc/38/06/09/822380609.db2.gz ZRFDALQSKIQYBR-UWJYYQICSA-N 0 0 398.503 4.243 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182971160 822401961 /nfs/dbraw/zinc/40/19/61/822401961.db2.gz PEZAAUIIAHRSNE-UHFFFAOYSA-N 0 0 398.469 4.240 20 10 GICDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc(C)c(O)c2O)C3)cs1 ZINC000182980535 822403927 /nfs/dbraw/zinc/40/39/27/822403927.db2.gz YQIPAGRQSVKXRL-UHFFFAOYSA-N 0 0 386.498 4.098 20 10 GICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000182984480 822404982 /nfs/dbraw/zinc/40/49/82/822404982.db2.gz NHZQXEWHILWPHV-IAGOWNOFSA-N 0 0 392.507 4.107 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000178729140 822405910 /nfs/dbraw/zinc/40/59/10/822405910.db2.gz ATGXLJDDEDJBFW-REWPJTCUSA-N 0 0 393.531 4.254 20 10 GICDRN Oc1cccc([C@H]2CN(Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078998 822421865 /nfs/dbraw/zinc/42/18/65/822421865.db2.gz PJDGKMQWOKPZOB-XMMPIXPASA-N 0 0 391.467 4.250 20 10 GICDRN C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000178936617 822422913 /nfs/dbraw/zinc/42/29/13/822422913.db2.gz ZVDDCYIUQPHAER-SAPNQHFASA-N 0 0 398.934 4.268 20 10 GICDRN Cc1c(NC(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccccc1 ZINC000178978647 822425853 /nfs/dbraw/zinc/42/58/53/822425853.db2.gz XMSHLOXAABMPKH-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000183154640 822432571 /nfs/dbraw/zinc/43/25/71/822432571.db2.gz LVDVRBLIUWJDNR-UHFFFAOYSA-N 0 0 379.382 4.288 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000183172160 822435259 /nfs/dbraw/zinc/43/52/59/822435259.db2.gz AXOQARSFQNNRQP-UHFFFAOYSA-N 0 0 379.382 4.288 20 10 GICDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000183475487 822481391 /nfs/dbraw/zinc/48/13/91/822481391.db2.gz BIEZDOVYFNHUQZ-WBVHZDCISA-N 0 0 392.499 4.486 20 10 GICDRN CCCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000046675158 822502925 /nfs/dbraw/zinc/50/29/25/822502925.db2.gz RDBRZWNZSYHGMO-KRWDZBQOSA-N 0 0 399.535 4.453 20 10 GICDRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccc(N2CCCC2)cc1 ZINC000046769387 822515489 /nfs/dbraw/zinc/51/54/89/822515489.db2.gz CPUOJHANHUUSOL-UHFFFAOYSA-N 0 0 376.500 4.055 20 10 GICDRN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000047219366 822555091 /nfs/dbraw/zinc/55/50/91/822555091.db2.gz GMZHVZREECGRMG-XNTDXEJSSA-N 0 0 383.523 4.432 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(Cl)cc1Cl ZINC000047326247 822566931 /nfs/dbraw/zinc/56/69/31/822566931.db2.gz ISVKEJQRBMIBAX-UHFFFAOYSA-N 0 0 398.265 4.291 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000184032143 822567815 /nfs/dbraw/zinc/56/78/15/822567815.db2.gz OJHCGHRQPKQHIV-IRLDBZIGSA-N 0 0 381.520 4.252 20 10 GICDRN CCCc1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047486486 822583320 /nfs/dbraw/zinc/58/33/20/822583320.db2.gz JHJBNOVUYWUOGH-UHFFFAOYSA-N 0 0 385.483 4.061 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC000047543499 822588865 /nfs/dbraw/zinc/58/88/65/822588865.db2.gz ZQTRAPVKXAYRLG-UHFFFAOYSA-N 0 0 395.528 4.046 20 10 GICDRN CN1CCc2ccc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cc21 ZINC000180283621 822654935 /nfs/dbraw/zinc/65/49/35/822654935.db2.gz HNJATRUOGGAPAZ-UHFFFAOYSA-N 0 0 377.444 4.212 20 10 GICDRN CSCc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000184752949 822686108 /nfs/dbraw/zinc/68/61/08/822686108.db2.gz XNQHWQFACFNMSB-SFHVURJKSA-N 0 0 386.517 4.468 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000184979685 822721064 /nfs/dbraw/zinc/72/10/64/822721064.db2.gz PXYCBSCZLKKIQG-GFCCVEGCSA-N 0 0 386.448 4.083 20 10 GICDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000185060525 822730898 /nfs/dbraw/zinc/73/08/98/822730898.db2.gz ZDAQZCDXIOGKSJ-ZDUSSCGKSA-N 0 0 398.400 4.238 20 10 GICDRN Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000185084551 822734767 /nfs/dbraw/zinc/73/47/67/822734767.db2.gz JSRHSJPEYAVHFJ-NSHDSACASA-N 0 0 377.275 4.439 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000051237886 822751887 /nfs/dbraw/zinc/75/18/87/822751887.db2.gz QEYUFWUHKLZUSM-IRLDBZIGSA-N 0 0 381.520 4.062 20 10 GICDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000174292004 822764476 /nfs/dbraw/zinc/76/44/76/822764476.db2.gz DQGVGNQGVHTNMZ-FYYLOGMGSA-N 0 0 395.547 4.370 20 10 GICDRN Cc1nnc([C@@H](N[C@@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324151 822766089 /nfs/dbraw/zinc/76/60/89/822766089.db2.gz YFMPGNXYXRBNPD-GTNSWQLSSA-N 0 0 387.281 4.021 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000051714440 822776059 /nfs/dbraw/zinc/77/60/59/822776059.db2.gz DIDMLUQUJNYSPU-KNQAVFIVSA-N 0 0 399.510 4.201 20 10 GICDRN O=C(CCc1ncc(-c2ccccc2F)o1)NCc1c(O)ccc2c1CCCC2 ZINC000174520680 822800131 /nfs/dbraw/zinc/80/01/31/822800131.db2.gz ASEKLQIOTCZFIV-UHFFFAOYSA-N 0 0 394.446 4.314 20 10 GICDRN CCN1C(=O)CCc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc21 ZINC000185613643 822802432 /nfs/dbraw/zinc/80/24/32/822802432.db2.gz BKNSUUWPWOCJEB-UHFFFAOYSA-N 0 0 388.471 4.041 20 10 GICDRN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185650215 822806688 /nfs/dbraw/zinc/80/66/88/822806688.db2.gz CZYBVVMUMXTVNM-NSHDSACASA-N 0 0 388.316 4.094 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)cc1 ZINC000174607451 822811840 /nfs/dbraw/zinc/81/18/40/822811840.db2.gz LKXCAJBNRRYASB-LAUBAEHRSA-N 0 0 397.519 4.440 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)CC2)cc1 ZINC000174607438 822811861 /nfs/dbraw/zinc/81/18/61/822811861.db2.gz LKXCAJBNRRYASB-DYESRHJHSA-N 0 0 397.519 4.440 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(COC)c1 ZINC000174866166 822848593 /nfs/dbraw/zinc/84/85/93/822848593.db2.gz HKDYFLOQZUBMOB-UHFFFAOYSA-N 0 0 393.281 4.355 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000174900158 822852669 /nfs/dbraw/zinc/85/26/69/822852669.db2.gz UFBZMGAVBNNJOV-MSOLQXFVSA-N 0 0 381.520 4.155 20 10 GICDRN COc1ccc(N2CCC(NC(=O)NCc3c(C)oc4ccccc43)CC2)cc1 ZINC000186166862 822857525 /nfs/dbraw/zinc/85/75/25/822857525.db2.gz BQNLNYQYBQEUFB-UHFFFAOYSA-N 0 0 393.487 4.218 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000054080670 822861552 /nfs/dbraw/zinc/86/15/52/822861552.db2.gz CCCRXRYZOBBCEQ-UHFFFAOYSA-N 0 0 377.213 4.047 20 10 GICDRN CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2cc(Br)ccc2O)c1 ZINC000186291230 822871696 /nfs/dbraw/zinc/87/16/96/822871696.db2.gz WRPQWUGOCCGGQV-VXGBXAGGSA-N 0 0 393.281 4.301 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186314941 822875036 /nfs/dbraw/zinc/87/50/36/822875036.db2.gz ZUQSWEFOFVSYDT-MRXNPFEDSA-N 0 0 388.467 4.362 20 10 GICDRN Cc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1NC(=O)CN1CCCCC1 ZINC000186427748 822893440 /nfs/dbraw/zinc/89/34/40/822893440.db2.gz HGORCMSRAFQRKX-MRXNPFEDSA-N 0 0 385.483 4.437 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000186492472 822904380 /nfs/dbraw/zinc/90/43/80/822904380.db2.gz ZVGATXSBNSMYRW-HOTGVXAUSA-N 0 0 376.522 4.092 20 10 GICDRN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc(Br)cc(F)c1O ZINC000186521329 822907888 /nfs/dbraw/zinc/90/78/88/822907888.db2.gz DCIQCHKJEWNIQK-SECBINFHSA-N 0 0 394.244 4.444 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175398971 822959176 /nfs/dbraw/zinc/95/91/76/822959176.db2.gz QTVFLMYYTOEZEB-WOJBJXKFSA-N 0 0 399.560 4.146 20 10 GICDRN Cc1cc(C(=O)Cn2ccnc2[C@@H](O)c2ccco2)c(C)n1-c1ccccc1C ZINC000186814721 822959857 /nfs/dbraw/zinc/95/98/57/822959857.db2.gz BRRFQFSEMZRDMR-QFIPXVFZSA-N 0 0 389.455 4.157 20 10 GICDRN CN1C(=O)CCc2cc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)ccc21 ZINC000186838835 822965085 /nfs/dbraw/zinc/96/50/85/822965085.db2.gz PSMCHRKORUDXKQ-GZTJUZNOSA-N 0 0 398.484 4.141 20 10 GICDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000055463315 822966589 /nfs/dbraw/zinc/96/65/89/822966589.db2.gz MGFANLBSZYJMLX-OAHLLOKOSA-N 0 0 384.501 4.193 20 10 GICDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000055463314 822966617 /nfs/dbraw/zinc/96/66/17/822966617.db2.gz MGFANLBSZYJMLX-HNNXBMFYSA-N 0 0 384.501 4.193 20 10 GICDRN CC(C)Sc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055522593 822974084 /nfs/dbraw/zinc/97/40/84/822974084.db2.gz SKRIMKDDNQMKFN-UHFFFAOYSA-N 0 0 388.508 4.093 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)cc1F ZINC000187008576 822996504 /nfs/dbraw/zinc/99/65/04/822996504.db2.gz SOJLSZLIKBHFDM-UHFFFAOYSA-N 0 0 393.409 4.300 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000055720493 823002837 /nfs/dbraw/zinc/00/28/37/823002837.db2.gz LJUBWBGFXUOWJN-UHFFFAOYSA-N 0 0 396.397 4.381 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000175600687 823004722 /nfs/dbraw/zinc/00/47/22/823004722.db2.gz BAGNUWNDWQWENC-UHFFFAOYSA-N 0 0 383.492 4.318 20 10 GICDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c2ccccc12 ZINC000187057926 823004863 /nfs/dbraw/zinc/00/48/63/823004863.db2.gz PFIKQQULWDRJMC-UHFFFAOYSA-N 0 0 398.484 4.230 20 10 GICDRN CCS[C@@H]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000175716781 823026206 /nfs/dbraw/zinc/02/62/06/823026206.db2.gz LSQGTVGWOUMABM-YLJYHZDGSA-N 0 0 391.581 4.028 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000187235251 823028861 /nfs/dbraw/zinc/02/88/61/823028861.db2.gz SDCDLAGYKWGPOU-WBMJQRKESA-N 0 0 382.382 4.107 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000187330316 823044624 /nfs/dbraw/zinc/04/46/24/823044624.db2.gz JGFRZBDMHYKEKL-UHFFFAOYSA-N 0 0 389.499 4.049 20 10 GICDRN O=C(NCc1cccc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000060566035 823542860 /nfs/dbraw/zinc/54/28/60/823542860.db2.gz CMBMFDNVXFEMSF-OAQYLSRUSA-N 0 0 390.483 4.436 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCc1cscn1 ZINC000123844348 823544907 /nfs/dbraw/zinc/54/49/07/823544907.db2.gz DFRXEMORDUBIPY-UHFFFAOYSA-N 0 0 395.528 4.450 20 10 GICDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000124233236 823579638 /nfs/dbraw/zinc/57/96/38/823579638.db2.gz FLSZTNYRAVSGIK-IAGOWNOFSA-N 0 0 378.394 4.071 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2cccnc2Nc2ccccc2F)cc1 ZINC000061223486 823585312 /nfs/dbraw/zinc/58/53/12/823585312.db2.gz RLZJIEOCEZIHGC-UHFFFAOYSA-N 0 0 378.451 4.303 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000190960493 823630895 /nfs/dbraw/zinc/63/08/95/823630895.db2.gz ACKPPYLJVUXGHM-ZDUSSCGKSA-N 0 0 388.512 4.100 20 10 GICDRN Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(N(C)C)cc3C)cc2)n1 ZINC000125124233 823653232 /nfs/dbraw/zinc/65/32/32/823653232.db2.gz RCLQFYFASYBSRI-UHFFFAOYSA-N 0 0 391.475 4.273 20 10 GICDRN CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000125174478 823656782 /nfs/dbraw/zinc/65/67/82/823656782.db2.gz FYPHXFLWTOOEPK-HXUWFJFHSA-N 0 0 395.547 4.158 20 10 GICDRN CCN1C(=O)/C(=C/c2csc(COc3ccc(C)cc3)n2)SC1=S ZINC000063274619 823658836 /nfs/dbraw/zinc/65/88/36/823658836.db2.gz ILYBYMJRVOTYGE-ZSOIEALJSA-N 0 0 376.528 4.252 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C/c3csc(C4CC4)n3)SC2=S)cc1 ZINC000063277203 823659203 /nfs/dbraw/zinc/65/92/03/823659203.db2.gz ZCWPJQYVUDLGRZ-DHDCSXOGSA-N 0 0 387.555 4.492 20 10 GICDRN O=C(c1ccccc1SCc1cccs1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000125460775 823677904 /nfs/dbraw/zinc/67/79/04/823677904.db2.gz JLQOMOGOOANFHC-FUHWJXTLSA-N 0 0 391.583 4.387 20 10 GICDRN COc1cc(N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000125693532 823697288 /nfs/dbraw/zinc/69/72/88/823697288.db2.gz HQUWVCSMZHQBKH-UHFFFAOYSA-N 0 0 389.839 4.052 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000125733570 823701731 /nfs/dbraw/zinc/70/17/31/823701731.db2.gz VMNKQQDRIKWEJC-UHFFFAOYSA-N 0 0 387.483 4.277 20 10 GICDRN CCN(CC)c1ccc(CN[C@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191599228 823708517 /nfs/dbraw/zinc/70/85/17/823708517.db2.gz CKOAEKAQYWOFNJ-MRXNPFEDSA-N 0 0 382.483 4.497 20 10 GICDRN CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000125791516 823711462 /nfs/dbraw/zinc/71/14/62/823711462.db2.gz QKNREKJWIFGFJQ-GOSISDBHSA-N 0 0 379.504 4.410 20 10 GICDRN CCCCN(C)c1ccc(NC(=O)C(=O)N(CCC)Cc2ccccc2O)cc1 ZINC000125805577 823715402 /nfs/dbraw/zinc/71/54/02/823715402.db2.gz KLNVISMGHXCVKZ-UHFFFAOYSA-N 0 0 397.519 4.006 20 10 GICDRN C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125805654 823715815 /nfs/dbraw/zinc/71/58/15/823715815.db2.gz BTTDQMPUVSPGME-QGZVFWFLSA-N 0 0 386.923 4.014 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2ccc(Br)o2)c(C)n1-c1ccccn1 ZINC000125961894 823753843 /nfs/dbraw/zinc/75/38/43/823753843.db2.gz RDBSYYRSWBNZSY-UHFFFAOYSA-N 0 0 388.265 4.117 20 10 GICDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)NCc1c(C)c3ccccc3n1C)C2 ZINC000574566698 823768109 /nfs/dbraw/zinc/76/81/09/823768109.db2.gz PADXJXQMCVCEQZ-UHFFFAOYSA-N 0 0 389.499 4.252 20 10 GICDRN Cc1cc(F)cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000164309148 823795261 /nfs/dbraw/zinc/79/52/61/823795261.db2.gz OWWNIACAEJQCEG-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000126166351 823803467 /nfs/dbraw/zinc/80/34/67/823803467.db2.gz ORMIHKWGEZGERB-JTHBVZDNSA-N 0 0 391.515 4.030 20 10 GICDRN CC(C)c1noc(-c2ccc(NC(=O)C3=S=NC(c4ccccc4)=C3)cc2)n1 ZINC000462123118 823836664 /nfs/dbraw/zinc/83/66/64/823836664.db2.gz VRXDSDGUDIWGFL-UHFFFAOYSA-N 0 0 390.468 4.292 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)CC1CCCC1 ZINC000126746698 823940845 /nfs/dbraw/zinc/94/08/45/823940845.db2.gz WSHCZNLZSFKZCG-GOSISDBHSA-N 0 0 394.515 4.179 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N(C)CCCCc3ccccc3)CC2)cc1 ZINC000170698614 823944782 /nfs/dbraw/zinc/94/47/82/823944782.db2.gz NKGPZOYLNAVDLO-UHFFFAOYSA-N 0 0 395.547 4.328 20 10 GICDRN COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000170836015 823985835 /nfs/dbraw/zinc/98/58/35/823985835.db2.gz IVXZZJOGNVUWSP-UHFFFAOYSA-N 0 0 398.434 4.087 20 10 GICDRN CC(=O)N1CCC(CNC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)CC1 ZINC000170894097 824002385 /nfs/dbraw/zinc/00/23/85/824002385.db2.gz ODIPKFZJSPZLFB-UHFFFAOYSA-N 0 0 395.547 4.206 20 10 GICDRN Cc1ncccc1/C=C1\SC(=S)N(CCCN(C)c2ccccc2)C1=O ZINC000170903677 824003782 /nfs/dbraw/zinc/00/37/82/824003782.db2.gz CVPFDMKOATZPKY-JXAWBTAJSA-N 0 0 383.542 4.118 20 10 GICDRN O=C(C[C@H]1CCCc2ccccc21)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170994896 824030771 /nfs/dbraw/zinc/03/07/71/824030771.db2.gz QQELNOCYHQGFNV-JOCHJYFZSA-N 0 0 392.543 4.022 20 10 GICDRN O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000170994897 824030782 /nfs/dbraw/zinc/03/07/82/824030782.db2.gz QQELNOCYHQGFNV-QFIPXVFZSA-N 0 0 392.543 4.022 20 10 GICDRN Cc1ccc(OCCNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000171003034 824033442 /nfs/dbraw/zinc/03/34/42/824033442.db2.gz WVQXNPIUYSTXAD-UHFFFAOYSA-N 0 0 380.444 4.084 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(C(C)C)n1 ZINC000175844974 823053611 /nfs/dbraw/zinc/05/36/11/823053611.db2.gz VVSZLZIZISJXNH-UHFFFAOYSA-N 0 0 383.311 4.397 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000175906121 823069039 /nfs/dbraw/zinc/06/90/39/823069039.db2.gz IMGDVXGEKUDASK-XXBNENTESA-N 0 0 394.515 4.238 20 10 GICDRN CCCn1nc(C)c(C(=O)N(CC)Cc2cc(Br)ccc2O)c1C ZINC000120994902 823099443 /nfs/dbraw/zinc/09/94/43/823099443.db2.gz SWNRFSKITFDAID-UHFFFAOYSA-N 0 0 394.313 4.040 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC[C@@H]2CCOC2)cc1 ZINC000176046076 823105559 /nfs/dbraw/zinc/10/55/59/823105559.db2.gz PMUVWZWDIQFDAM-LJQANCHMSA-N 0 0 382.504 4.111 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(Oc2ccccc2)CC1 ZINC000056661270 823191964 /nfs/dbraw/zinc/19/19/64/823191964.db2.gz IVOOKWCBGPRWIA-UHFFFAOYSA-N 0 0 379.504 4.040 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805829 823217248 /nfs/dbraw/zinc/21/72/48/823217248.db2.gz YKHDNOHOALKWER-LJQANCHMSA-N 0 0 385.895 4.263 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)N(C)Cc3ccccc3O)s2)cc1 ZINC000176521980 823228314 /nfs/dbraw/zinc/22/83/14/823228314.db2.gz IWWQXHCXRXIDOT-UHFFFAOYSA-N 0 0 382.485 4.471 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056880076 823227248 /nfs/dbraw/zinc/22/72/48/823227248.db2.gz ZUGVVVSFBMNIAO-NRFANRHFSA-N 0 0 399.535 4.426 20 10 GICDRN C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000121851424 823263006 /nfs/dbraw/zinc/26/30/06/823263006.db2.gz UYUVKYGMOSRKNK-IAGOWNOFSA-N 0 0 383.492 4.112 20 10 GICDRN C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000121850970 823263035 /nfs/dbraw/zinc/26/30/35/823263035.db2.gz UYUVKYGMOSRKNK-IRXDYDNUSA-N 0 0 383.492 4.112 20 10 GICDRN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000005711384 817611807 /nfs/dbraw/zinc/61/18/07/817611807.db2.gz KEPSUZGTJRNLEB-UHFFFAOYSA-N 0 0 394.422 4.216 20 10 GICDRN CC(C)c1csc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000121910665 823275405 /nfs/dbraw/zinc/27/54/05/823275405.db2.gz FNWVUBVWBDLMOB-UHFFFAOYSA-N 0 0 385.489 4.477 20 10 GICDRN O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000006339248 817678869 /nfs/dbraw/zinc/67/88/69/817678869.db2.gz QTBLNOVCAAUXHD-DHDCSXOGSA-N 0 0 383.523 4.149 20 10 GICDRN CC(=O)Nc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000006903254 817723069 /nfs/dbraw/zinc/72/30/69/817723069.db2.gz RTTBGVSMRKTSFO-UHFFFAOYSA-N 0 0 390.439 4.092 20 10 GICDRN Cc1c2ccccc2oc(=O)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000176779271 823291274 /nfs/dbraw/zinc/29/12/74/823291274.db2.gz VNUQAJCCRQJAQD-UHFFFAOYSA-N 0 0 390.483 4.364 20 10 GICDRN N#CCCn1cc(C=C2SC(NC3CCCCC3)=NC2=O)c2ccccc21 ZINC000007209254 817794609 /nfs/dbraw/zinc/79/46/09/817794609.db2.gz PKVCPEWGGYNQKH-UYRXBGFRSA-N 0 0 378.501 4.448 20 10 GICDRN COc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c(OC)c1OC ZINC000007587314 817875406 /nfs/dbraw/zinc/87/54/06/817875406.db2.gz GHJPXYTYWDKZAU-WJDWOHSUSA-N 0 0 384.457 4.103 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000122027929 823295833 /nfs/dbraw/zinc/29/58/33/823295833.db2.gz KYUNEHODRIUHIZ-UHFFFAOYSA-N 0 0 377.419 4.370 20 10 GICDRN CC(C)OCc1c2ccccc2oc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000572184451 823296197 /nfs/dbraw/zinc/29/61/97/823296197.db2.gz FSIVWAKSVADNDO-UHFFFAOYSA-N 0 0 394.471 4.463 20 10 GICDRN CCOC(=O)CSCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000057476357 823301450 /nfs/dbraw/zinc/30/14/50/823301450.db2.gz ZXAVCNBKVRIMID-UHFFFAOYSA-N 0 0 377.531 4.295 20 10 GICDRN O=C(OCc1cc(-c2ccco2)on1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000007897851 817953873 /nfs/dbraw/zinc/95/38/73/817953873.db2.gz KSOVEFGHIPPAOW-UHFFFAOYSA-N 0 0 399.358 4.067 20 10 GICDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1OCc1ccccc1 ZINC000008171003 818011339 /nfs/dbraw/zinc/01/13/39/818011339.db2.gz FLTJLHSDFIHARZ-UHFFFAOYSA-N 0 0 390.483 4.270 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2ccccc2oc1=O ZINC000010962434 818034990 /nfs/dbraw/zinc/03/49/90/818034990.db2.gz SKCCXHPGKBIYQR-UHFFFAOYSA-N 0 0 376.456 4.056 20 10 GICDRN CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000010962526 818035584 /nfs/dbraw/zinc/03/55/84/818035584.db2.gz WILMJTNZRONMAR-UHFFFAOYSA-N 0 0 397.519 4.071 20 10 GICDRN COc1cc2c(cc1NCc1cc(=O)n3ccsc3n1)oc1ccccc12 ZINC000011619385 818100409 /nfs/dbraw/zinc/10/04/09/818100409.db2.gz AYYOKOLAPDWHGL-UHFFFAOYSA-N 0 0 377.425 4.276 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000057647451 823318267 /nfs/dbraw/zinc/31/82/67/823318267.db2.gz BWZUKPYUVRJJFQ-QFIPXVFZSA-N 0 0 392.478 4.218 20 10 GICDRN COc1ccc(-c2noc(CN(C)Cc3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000015571652 818340383 /nfs/dbraw/zinc/34/03/83/818340383.db2.gz JCLJKQZPJMQEEX-UHFFFAOYSA-N 0 0 392.503 4.368 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000122278229 823331671 /nfs/dbraw/zinc/33/16/71/823331671.db2.gz WBSHNXXMMOQFAK-OAQYLSRUSA-N 0 0 397.471 4.429 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000016134435 818396640 /nfs/dbraw/zinc/39/66/40/818396640.db2.gz ABPUEKTWSIWMGX-UHFFFAOYSA-N 0 0 386.495 4.462 20 10 GICDRN O=C1/C(=C\c2ccc(N3CCCC3)nc2)SC(=S)N1Cc1cccs1 ZINC000176963679 823336194 /nfs/dbraw/zinc/33/61/94/823336194.db2.gz PGJQKVLNHIYXID-XNTDXEJSSA-N 0 0 387.555 4.145 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2cn3ccc(C)cc3n2)c(C)n1-c1ccccc1 ZINC000017183558 818503696 /nfs/dbraw/zinc/50/36/96/818503696.db2.gz ULQIEERNYSHDKA-UHFFFAOYSA-N 0 0 387.439 4.090 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=S)Nc1ccc2c(c1)OCCO2 ZINC000017452767 818515834 /nfs/dbraw/zinc/51/58/34/818515834.db2.gz KZETUHRFNYAUPP-UHFFFAOYSA-N 0 0 397.544 4.277 20 10 GICDRN Cc1cccc(Oc2ccccc2NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000122350974 823342461 /nfs/dbraw/zinc/34/24/61/823342461.db2.gz XSWAZCFMBBTSQR-UHFFFAOYSA-N 0 0 390.439 4.090 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000122367476 823344919 /nfs/dbraw/zinc/34/49/19/823344919.db2.gz RUIGNQUPYMRIOZ-UHFFFAOYSA-N 0 0 393.531 4.020 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(Cl)cc1 ZINC000018945347 818581993 /nfs/dbraw/zinc/58/19/93/818581993.db2.gz HCBKVKDNLWCCSU-UHFFFAOYSA-N 0 0 375.925 4.005 20 10 GICDRN COc1cccc(F)c1[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522074 823366508 /nfs/dbraw/zinc/36/65/08/823366508.db2.gz FVBQYBJEXNLUAW-GJZGRUSLSA-N 0 0 376.447 4.222 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189166213 823368677 /nfs/dbraw/zinc/36/86/77/823368677.db2.gz IMIFHRAHIPEWQR-OAHLLOKOSA-N 0 0 391.427 4.286 20 10 GICDRN COCCN(Cc1ncc(-c2cccc(F)c2)o1)c1ccc(OC)c(OC)c1 ZINC000177130059 823378604 /nfs/dbraw/zinc/37/86/04/823378604.db2.gz KUESLBKGXNOFEF-UHFFFAOYSA-N 0 0 386.423 4.151 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000177249973 823409265 /nfs/dbraw/zinc/40/92/65/823409265.db2.gz ZYKYCFCWFOZAOP-UHFFFAOYSA-N 0 0 388.895 4.244 20 10 GICDRN COc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 ZINC000189446066 823418377 /nfs/dbraw/zinc/41/83/77/823418377.db2.gz YQEMLEXHCLAOEV-INIZCTEOSA-N 0 0 389.455 4.010 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(F)c1)c1ccc(N)cc1 ZINC000189446952 823418788 /nfs/dbraw/zinc/41/87/88/823418788.db2.gz IEJZHWZHBFWJRD-HNNXBMFYSA-N 0 0 377.419 4.141 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccccc1C ZINC000025542436 820000756 /nfs/dbraw/zinc/00/07/56/820000756.db2.gz LECPMCMSBQBQID-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365074 823445760 /nfs/dbraw/zinc/44/57/60/823445760.db2.gz PWSXOOCPVXBYTJ-XELLLNAOSA-N 0 0 379.909 4.179 20 10 GICDRN COc1cc2c(cc1NCc1ccc(C(N)=O)cc1[N+](=O)[O-])oc1ccccc12 ZINC000026219241 820070646 /nfs/dbraw/zinc/07/06/46/820070646.db2.gz RVKRFTAZUDGERT-UHFFFAOYSA-N 0 0 391.383 4.214 20 10 GICDRN COC(=O)c1cc(CN(C)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)oc1C ZINC000027166943 820203823 /nfs/dbraw/zinc/20/38/23/820203823.db2.gz TVCWAQOVTZBABN-UHFFFAOYSA-N 0 0 398.434 4.193 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1occc1-c1ccccc1 ZINC000028318480 820324670 /nfs/dbraw/zinc/32/46/70/820324670.db2.gz KPJMGEVAWCNSRI-UHFFFAOYSA-N 0 0 376.456 4.055 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1Cc1ccccn1 ZINC000028335691 820325870 /nfs/dbraw/zinc/32/58/70/820325870.db2.gz WOZFNNCOHQTVNQ-UHFFFAOYSA-N 0 0 388.515 4.078 20 10 GICDRN O=C1/C(=C/c2ccc(-n3ccnc3)cc2)SC(=S)N1CCc1ccccc1 ZINC000028963747 820377650 /nfs/dbraw/zinc/37/76/50/820377650.db2.gz ZOLPRLSFAYLGSM-RGEXLXHISA-N 0 0 391.521 4.316 20 10 GICDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1NC(=O)c1ccccc1 ZINC000029055273 820388331 /nfs/dbraw/zinc/38/83/31/820388331.db2.gz NSHLLOQTYVJVSO-UHFFFAOYSA-N 0 0 387.483 4.243 20 10 GICDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238022 823483418 /nfs/dbraw/zinc/48/34/18/823483418.db2.gz YYFVWEXJLSEKLP-GJZGRUSLSA-N 0 0 384.505 4.047 20 10 GICDRN COc1cccc([C@H](C)CC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000177604483 823499781 /nfs/dbraw/zinc/49/97/81/823499781.db2.gz SXUSZXSTAQYLSQ-QGZVFWFLSA-N 0 0 384.545 4.058 20 10 GICDRN O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000123364145 823501923 /nfs/dbraw/zinc/50/19/23/823501923.db2.gz HTPONTXCUPDAFG-UHFFFAOYSA-N 0 0 377.488 4.212 20 10 GICDRN C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000060106148 823508613 /nfs/dbraw/zinc/50/86/13/823508613.db2.gz WGUNMQQXAFVRAN-MRXNPFEDSA-N 0 0 393.512 4.138 20 10 GICDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922691 823514294 /nfs/dbraw/zinc/51/42/94/823514294.db2.gz XNDIRPFLFWMOAZ-GOSISDBHSA-N 0 0 386.517 4.241 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1csc(COc2ccccc2)n1 ZINC000060421749 823525271 /nfs/dbraw/zinc/52/52/71/823525271.db2.gz CNAVQSKEDMXDAE-LFIBNONCSA-N 0 0 385.514 4.178 20 10 GICDRN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000042656217 821320426 /nfs/dbraw/zinc/32/04/26/821320426.db2.gz NQCKRKLJHJECQP-UHFFFAOYSA-N 0 0 398.778 4.134 20 10 GICDRN CCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000042747181 821330369 /nfs/dbraw/zinc/33/03/69/821330369.db2.gz JIOFQVLIAJGCBX-UHFFFAOYSA-N 0 0 395.547 4.171 20 10 GICDRN N#Cc1cccc(COc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)c1 ZINC000180656042 821384702 /nfs/dbraw/zinc/38/47/02/821384702.db2.gz OITHPWBUXZOCFF-CSKARUKUSA-N 0 0 386.407 4.200 20 10 GICDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180984573 821574712 /nfs/dbraw/zinc/57/47/12/821574712.db2.gz DPJGKOQRSCDGOG-BPLPYTOXSA-N 0 0 394.471 4.073 20 10 GICDRN CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181491584 821850648 /nfs/dbraw/zinc/85/06/48/821850648.db2.gz DVYOXRWBVANHNR-LJQANCHMSA-N 0 0 385.508 4.080 20 10 GICDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000182073669 822082696 /nfs/dbraw/zinc/08/26/96/822082696.db2.gz IOFJGTIUCYQUCD-UHFFFAOYSA-N 0 0 376.412 4.219 20 10 GICDRN O=C1/C(=C/c2cccc(Cl)c2F)SC(=S)N1CCc1ccccn1 ZINC000178003504 822278505 /nfs/dbraw/zinc/27/85/05/822278505.db2.gz SXOSGXXSZZHNOW-UVTDQMKNSA-N 0 0 378.881 4.318 20 10 GICDRN CCn1cc(N2C(=O)/C(=C\c3cccc(-c4cccnc4)c3)SC2=S)cn1 ZINC000178352428 822370497 /nfs/dbraw/zinc/37/04/97/822370497.db2.gz VBXKINQRATVSBR-VCHYOVAHSA-N 0 0 392.509 4.371 20 10 GICDRN CC(C)OCCCCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000182907535 822390486 /nfs/dbraw/zinc/39/04/86/822390486.db2.gz XLQAWXVJICAPLP-OCOZRVBESA-N 0 0 382.464 4.362 20 10 GICDRN CC[C@@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000182978949 822403749 /nfs/dbraw/zinc/40/37/49/822403749.db2.gz KCUHYIWVOABILF-HRAATJIYSA-N 0 0 392.507 4.107 20 10 GICDRN CCCC(=O)Nc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000183038765 822415797 /nfs/dbraw/zinc/41/57/97/822415797.db2.gz MZYKIJVPRBJRAZ-UHFFFAOYSA-N 0 0 396.491 4.231 20 10 GICDRN Cc1cnc([C@@H](C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000183191244 822438960 /nfs/dbraw/zinc/43/89/60/822438960.db2.gz CCWOGNBVSAKALI-INIZCTEOSA-N 0 0 386.565 4.387 20 10 GICDRN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ncc(Br)s1 ZINC000179207144 822450937 /nfs/dbraw/zinc/45/09/37/822450937.db2.gz JNZMLHBONYISDE-GFCCVEGCSA-N 0 0 398.395 4.310 20 10 GICDRN Cc1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)o1 ZINC000183414680 822471187 /nfs/dbraw/zinc/47/11/87/822471187.db2.gz BFGOOPWODCKLBI-UHFFFAOYSA-N 0 0 393.512 4.133 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179362280 822471598 /nfs/dbraw/zinc/47/15/98/822471598.db2.gz LXUYWUGEADRHLO-INIZCTEOSA-N 0 0 395.532 4.171 20 10 GICDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@H](C)c1ccccc1 ZINC000183475506 822481368 /nfs/dbraw/zinc/48/13/68/822481368.db2.gz BIEZDOVYFNHUQZ-NVXWUHKLSA-N 0 0 392.499 4.486 20 10 GICDRN COc1cccc(CNC(=O)Nc2ccc(COc3ccccc3)cc2)c1O ZINC000179487901 822489998 /nfs/dbraw/zinc/48/99/98/822489998.db2.gz RKUGFJFVLHLLKO-UHFFFAOYSA-N 0 0 378.428 4.302 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179621482 822514366 /nfs/dbraw/zinc/51/43/66/822514366.db2.gz RXDXXHVTIDQTNO-NRFANRHFSA-N 0 0 386.923 4.412 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(C)nc1-c1ccccc1 ZINC000179715276 822533495 /nfs/dbraw/zinc/53/34/95/822533495.db2.gz LSTGGKYIIHSXNY-WJDWOHSUSA-N 0 0 388.496 4.420 20 10 GICDRN COc1cc([C@H](C)NC(=O)N(C)Cc2ccccc2O)ccc1OCC(C)C ZINC000047049038 822540168 /nfs/dbraw/zinc/54/01/68/822540168.db2.gz USMYBJGVAOUEAX-INIZCTEOSA-N 0 0 386.492 4.338 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000047095672 822544380 /nfs/dbraw/zinc/54/43/80/822544380.db2.gz MMEOTRUJKVYQFQ-UHFFFAOYSA-N 0 0 376.456 4.313 20 10 GICDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)c1 ZINC000047326853 822566897 /nfs/dbraw/zinc/56/68/97/822566897.db2.gz ZGEWWFIJJWGZFE-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCc1ccc(O)c(O)c1 ZINC000184027160 822567054 /nfs/dbraw/zinc/56/70/54/822567054.db2.gz PATMYQLXLJIXRL-UHFFFAOYSA-N 0 0 392.333 4.010 20 10 GICDRN COC(=O)c1ccc(C)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047351019 822569983 /nfs/dbraw/zinc/56/99/83/822569983.db2.gz LGTSCLVOHMCNBD-UHFFFAOYSA-N 0 0 394.427 4.315 20 10 GICDRN CC(C)c1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000047378119 822572654 /nfs/dbraw/zinc/57/26/54/822572654.db2.gz OERLFRGPNFZWHH-UHFFFAOYSA-N 0 0 385.483 4.232 20 10 GICDRN C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179980485 822589868 /nfs/dbraw/zinc/58/98/68/822589868.db2.gz SEVNBLWSOQYJLA-AWEZNQCLSA-N 0 0 384.455 4.043 20 10 GICDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC(C)C ZINC000184189470 822593420 /nfs/dbraw/zinc/59/34/20/822593420.db2.gz HOKOJPHTCBMJBP-UHFFFAOYSA-N 0 0 375.444 4.009 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000180068330 822608491 /nfs/dbraw/zinc/60/84/91/822608491.db2.gz UJYAONOUAUCEKH-IAGOWNOFSA-N 0 0 389.565 4.144 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184462347 822639788 /nfs/dbraw/zinc/63/97/88/822639788.db2.gz BIFFTQDQDLZZSL-KRWDZBQOSA-N 0 0 383.442 4.040 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180428269 822680077 /nfs/dbraw/zinc/68/00/77/822680077.db2.gz JZWBQRMGLDPHSJ-HXUWFJFHSA-N 0 0 383.467 4.139 20 10 GICDRN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000180506421 822693030 /nfs/dbraw/zinc/69/30/30/822693030.db2.gz LPAXBLHHNIHZAS-HIFRSBDPSA-N 0 0 382.323 4.304 20 10 GICDRN CSCc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000184808458 822693825 /nfs/dbraw/zinc/69/38/25/822693825.db2.gz XWVAMWRUCJOSQV-UHFFFAOYSA-N 0 0 385.533 4.050 20 10 GICDRN O[C@H](C[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542633 822699042 /nfs/dbraw/zinc/69/90/42/822699042.db2.gz KNTCXNVTZMQCJT-LEWJYISDSA-N 0 0 386.561 4.063 20 10 GICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000455689890 822702491 /nfs/dbraw/zinc/70/24/91/822702491.db2.gz UGJMUYKQNFWBPZ-UHFFFAOYSA-N 0 0 382.411 4.370 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)c3cc(COC(C)(C)C)on3)cc2)CC1 ZINC000184890286 822708025 /nfs/dbraw/zinc/70/80/25/822708025.db2.gz RTUSHCIKISLUFN-UHFFFAOYSA-N 0 0 385.508 4.156 20 10 GICDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184967504 822719640 /nfs/dbraw/zinc/71/96/40/822719640.db2.gz MYAYZSHYBIQALM-LLVKDONJSA-N 0 0 383.275 4.247 20 10 GICDRN C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185054075 822729790 /nfs/dbraw/zinc/72/97/90/822729790.db2.gz HEOBUPBQHTZGAJ-ZDUSSCGKSA-N 0 0 380.319 4.409 20 10 GICDRN O=C(NCCCCOCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000051332929 822756354 /nfs/dbraw/zinc/75/63/54/822756354.db2.gz GYJOLXAZAOWIIN-UHFFFAOYSA-N 0 0 381.520 4.083 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000052398509 822798079 /nfs/dbraw/zinc/79/80/79/822798079.db2.gz HCGRZRNJOPGNBZ-UHFFFAOYSA-N 0 0 388.471 4.123 20 10 GICDRN Cc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1Cc1ccccn1 ZINC000174514422 822799629 /nfs/dbraw/zinc/79/96/29/822799629.db2.gz IDEZTBAGFHLYGR-UHFFFAOYSA-N 0 0 389.499 4.063 20 10 GICDRN CCN(CC)C(=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000174586160 822808539 /nfs/dbraw/zinc/80/85/39/822808539.db2.gz HRCHSNYAHXLVAS-UHFFFAOYSA-N 0 0 395.503 4.075 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC000174606845 822811713 /nfs/dbraw/zinc/81/17/13/822811713.db2.gz MMLSHVFIKSIKEO-VGSWGCGISA-N 0 0 379.504 4.067 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000053052017 822820037 /nfs/dbraw/zinc/82/00/37/822820037.db2.gz UIDHXYOMVPVMNU-HXUWFJFHSA-N 0 0 399.498 4.157 20 10 GICDRN CC(=O)Nc1ccc(F)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000053152168 822823768 /nfs/dbraw/zinc/82/37/68/822823768.db2.gz IYNVDEBEPZCOOQ-UHFFFAOYSA-N 0 0 383.467 4.047 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H](C)c2cccnc2)cc1 ZINC000174766911 822834410 /nfs/dbraw/zinc/83/44/10/822834410.db2.gz IMMITASVHIFTCM-GOSISDBHSA-N 0 0 389.499 4.493 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000174791415 822837510 /nfs/dbraw/zinc/83/75/10/822837510.db2.gz OHOHZOVOEAXMOC-ZDUSSCGKSA-N 0 0 383.473 4.085 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000185993998 822841915 /nfs/dbraw/zinc/84/19/15/822841915.db2.gz RHLRBCIUCHDRIS-QGZVFWFLSA-N 0 0 398.503 4.148 20 10 GICDRN CN(Cc1ccccc1O)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000053916195 822852963 /nfs/dbraw/zinc/85/29/63/822852963.db2.gz KOPTUSQVIPZVRP-UHFFFAOYSA-N 0 0 385.851 4.077 20 10 GICDRN CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000054000767 822856551 /nfs/dbraw/zinc/85/65/51/822856551.db2.gz CAFKUSMKWFNJGC-IRLDBZIGSA-N 0 0 382.504 4.480 20 10 GICDRN CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000054000765 822856577 /nfs/dbraw/zinc/85/65/77/822856577.db2.gz CAFKUSMKWFNJGC-RBBKRZOGSA-N 0 0 382.504 4.480 20 10 GICDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186191214 822859619 /nfs/dbraw/zinc/85/96/19/822859619.db2.gz XBAOQWBFHIYBGK-DZGCQCFKSA-N 0 0 393.314 4.398 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1Cl ZINC000054035238 822860217 /nfs/dbraw/zinc/86/02/17/822860217.db2.gz GNKVRHFJHNSFFM-UHFFFAOYSA-N 0 0 381.328 4.477 20 10 GICDRN CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000174976518 822863341 /nfs/dbraw/zinc/86/33/41/822863341.db2.gz CKSNJMLPJMLFGH-UHFFFAOYSA-N 0 0 394.519 4.227 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1SC(F)F ZINC000054383023 822880005 /nfs/dbraw/zinc/88/00/05/822880005.db2.gz WFTPEURQHSKCGU-UHFFFAOYSA-N 0 0 393.459 4.160 20 10 GICDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175091482 822880620 /nfs/dbraw/zinc/88/06/20/822880620.db2.gz AKUKQVSXGNNDHV-UHFFFAOYSA-N 0 0 395.503 4.496 20 10 GICDRN COCc1nc2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc2o1 ZINC000175115222 822885135 /nfs/dbraw/zinc/88/51/35/822885135.db2.gz BWHQTXORNUEVEE-UHFFFAOYSA-N 0 0 376.416 4.029 20 10 GICDRN COCCn1c(C)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1C ZINC000054486450 822890242 /nfs/dbraw/zinc/89/02/42/822890242.db2.gz UXIKAYQFNIIVNZ-ATVHPVEESA-N 0 0 378.563 4.285 20 10 GICDRN O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1Cc1ccccc1 ZINC000054486432 822890272 /nfs/dbraw/zinc/89/02/72/822890272.db2.gz XYDJZDUXNKMXJU-ODLFYWEKSA-N 0 0 391.521 4.333 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000175148429 822892146 /nfs/dbraw/zinc/89/21/46/822892146.db2.gz WEYCLDKMLURRCM-UHFFFAOYSA-N 0 0 397.244 4.356 20 10 GICDRN CCc1ccc(-c2nc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cs2)cc1 ZINC000186426891 822893143 /nfs/dbraw/zinc/89/31/43/822893143.db2.gz UORSYACDRBXYNX-CQSZACIVSA-N 0 0 396.512 4.074 20 10 GICDRN C[C@H](CCc1ccc(Br)cc1)NC(=O)N(C)Cc1ccccc1O ZINC000054648454 822901428 /nfs/dbraw/zinc/90/14/28/822901428.db2.gz NBVDYLKRFDBTON-CQSZACIVSA-N 0 0 391.309 4.317 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(F)c3)SC2=S)cc1 ZINC000175320559 822934143 /nfs/dbraw/zinc/93/41/43/822934143.db2.gz WXFVZCKSEZNORE-DHDCSXOGSA-N 0 0 392.452 4.142 20 10 GICDRN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 ZINC000055181561 822943663 /nfs/dbraw/zinc/94/36/63/822943663.db2.gz ZADCCYJCOHBEDF-MDWZMJQESA-N 0 0 376.484 4.100 20 10 GICDRN CN1C(=O)CCc2cc(/C=C3/SC(=S)N(c4ccc(F)cc4)C3=O)ccc21 ZINC000186838665 822965058 /nfs/dbraw/zinc/96/50/58/822965058.db2.gz QKSADNPZXBZLCQ-GZTJUZNOSA-N 0 0 398.484 4.141 20 10 GICDRN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)Cc1ccccc1O ZINC000175506071 822985562 /nfs/dbraw/zinc/98/55/62/822985562.db2.gz PDUIOHLMDBHORS-ZDUSSCGKSA-N 0 0 390.277 4.022 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175570095 822999531 /nfs/dbraw/zinc/99/95/31/822999531.db2.gz AJSZVSRFWWNBKC-NEPJUHHUSA-N 0 0 398.381 4.421 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CCc3ncc(C)s3)c2C)cc1 ZINC000124577906 823608067 /nfs/dbraw/zinc/60/80/67/823608067.db2.gz KOGFFDKYHOQLGR-UHFFFAOYSA-N 0 0 383.517 4.182 20 10 GICDRN Cc1nc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)cs1 ZINC000190927353 823625599 /nfs/dbraw/zinc/62/55/99/823625599.db2.gz POMPEKIOEMTWJM-LBPRGKRZSA-N 0 0 383.473 4.282 20 10 GICDRN CCOc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C(F)(F)F)c1 ZINC000190953608 823629871 /nfs/dbraw/zinc/62/98/71/823629871.db2.gz CNFXLZAVZJRXAE-NSHDSACASA-N 0 0 398.381 4.268 20 10 GICDRN CCOc1cccc([C@@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000063323398 823662633 /nfs/dbraw/zinc/66/26/33/823662633.db2.gz MWSOBSVRJHDWBZ-GOSISDBHSA-N 0 0 397.519 4.077 20 10 GICDRN O=C(c1cnc(-c2ccccc2)nc1)N(Cc1ccco1)Cc1ccccc1O ZINC000125283590 823664894 /nfs/dbraw/zinc/66/48/94/823664894.db2.gz UZBAZSJFEFKCFO-UHFFFAOYSA-N 0 0 385.423 4.285 20 10 GICDRN O=C(c1cc(-c2cccs2)n[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000125294990 823665742 /nfs/dbraw/zinc/66/57/42/823665742.db2.gz DYTRKNKWXSXPAM-UHFFFAOYSA-N 0 0 379.441 4.279 20 10 GICDRN Cc1cccn2c(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cnc12 ZINC000125298085 823666083 /nfs/dbraw/zinc/66/60/83/823666083.db2.gz LHQSBSHYGZMJMR-BOPFTXTBSA-N 0 0 394.525 4.115 20 10 GICDRN CC(C)(C)c1noc(CCCC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000125344519 823669459 /nfs/dbraw/zinc/66/94/59/823669459.db2.gz SALKMDIQBCEIBE-UHFFFAOYSA-N 0 0 397.475 4.217 20 10 GICDRN CCCOc1cc(C)ccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125640797 823692681 /nfs/dbraw/zinc/69/26/81/823692681.db2.gz QWZLHUOMBLOXRG-UHFFFAOYSA-N 0 0 397.519 4.284 20 10 GICDRN CCOCc1cc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)ccc1OC ZINC000191599074 823708059 /nfs/dbraw/zinc/70/80/59/823708059.db2.gz LJFMCVSZWPRILF-INIZCTEOSA-N 0 0 381.476 4.056 20 10 GICDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125904842 823741105 /nfs/dbraw/zinc/74/11/05/823741105.db2.gz SFALAKUPNLLAAZ-INIZCTEOSA-N 0 0 392.540 4.268 20 10 GICDRN COc1ccc(F)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1OC ZINC000191837704 823791959 /nfs/dbraw/zinc/79/19/59/823791959.db2.gz FJGDIIAJXZOGSW-UHFFFAOYSA-N 0 0 386.467 4.009 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446275 823803158 /nfs/dbraw/zinc/80/31/58/823803158.db2.gz WJXMANZMCZTQFJ-SFHVURJKSA-N 0 0 381.394 4.302 20 10 GICDRN CC(C)COc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000126469910 823876204 /nfs/dbraw/zinc/87/62/04/823876204.db2.gz YKPWIYWLGVFJTF-UHFFFAOYSA-N 0 0 397.519 4.222 20 10 GICDRN CC(=O)Nc1ccc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000126522726 823889856 /nfs/dbraw/zinc/88/98/56/823889856.db2.gz UTBVBZUEEVIGKJ-UHFFFAOYSA-N 0 0 398.846 4.440 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3c(C)noc3-c3ccccc3)CC2)cc1 ZINC000126757123 823943160 /nfs/dbraw/zinc/94/31/60/823943160.db2.gz SLTJIZIXMYNYOJ-UHFFFAOYSA-N 0 0 392.459 4.013 20 10 GICDRN COc1ccc(O)c(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000192339501 823951937 /nfs/dbraw/zinc/95/19/37/823951937.db2.gz KQUFUYLBDNZJOB-UHFFFAOYSA-N 0 0 380.448 4.032 20 10 GICDRN Cc1cncc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000126848367 823965885 /nfs/dbraw/zinc/96/58/85/823965885.db2.gz CIURMXNUPSSVJJ-RMKNXTFCSA-N 0 0 377.410 4.060 20 10 GICDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3ccncc3)n2C2CCCCC2)s1 ZINC000192495495 824010641 /nfs/dbraw/zinc/01/06/41/824010641.db2.gz PUWPIONHLVPIDV-UHFFFAOYSA-N 0 0 388.478 4.361 20 10 GICDRN Cc1c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)oc2c1C(=O)CCC2 ZINC000170974960 824025005 /nfs/dbraw/zinc/02/50/05/824025005.db2.gz YYYHOLJJUKGDSS-UHFFFAOYSA-N 0 0 380.488 4.273 20 10 GICDRN COc1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1 ZINC000005917245 204157898 /nfs/dbraw/zinc/15/78/98/204157898.db2.gz GFEXPILUSKIBHZ-XYOKQWHBSA-N 0 0 396.287 4.457 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cc(SC)ccc3Cl)CC2)cc1 ZINC000006911285 206220708 /nfs/dbraw/zinc/22/07/08/206220708.db2.gz GRYLXHUIAWBULV-UHFFFAOYSA-N 0 0 376.909 4.033 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Cc1cc(Br)ccc1OC ZINC000175867345 823059334 /nfs/dbraw/zinc/05/93/34/823059334.db2.gz BYDZUOPGOHXXPZ-UHFFFAOYSA-N 0 0 392.293 4.145 20 10 GICDRN Cc1noc([C@@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(C)c4)c3C)C2)n1 ZINC000056130990 823086036 /nfs/dbraw/zinc/08/60/36/823086036.db2.gz FIEWDVBNQAHJOS-GOSISDBHSA-N 0 0 378.476 4.114 20 10 GICDRN CCCCC[C@](C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187729372 823120975 /nfs/dbraw/zinc/12/09/75/823120975.db2.gz SXIKZLBRAVIVIK-QFIPXVFZSA-N 0 0 378.532 4.400 20 10 GICDRN Cc1ccc2c(c1)[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)CO2 ZINC000121154704 823128933 /nfs/dbraw/zinc/12/89/33/823128933.db2.gz BJZXLJCYUYDIMO-LJQANCHMSA-N 0 0 378.428 4.139 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176128195 823130359 /nfs/dbraw/zinc/13/03/59/823130359.db2.gz JMNVWKXTZXVLTA-UHFFFAOYSA-N 0 0 377.444 4.372 20 10 GICDRN COc1ccc(N2CCCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000056374185 823139132 /nfs/dbraw/zinc/13/91/32/823139132.db2.gz UREKSTKFCHYHNT-JOCHJYFZSA-N 0 0 379.504 4.068 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)cc1 ZINC000056613376 823181126 /nfs/dbraw/zinc/18/11/26/823181126.db2.gz RGSUAYZGLQWIJZ-UHFFFAOYSA-N 0 0 391.418 4.041 20 10 GICDRN CC[C@@H](C)n1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000121577065 823209484 /nfs/dbraw/zinc/20/94/84/823209484.db2.gz QHENZPGXGJKXMP-IAGOWNOFSA-N 0 0 396.535 4.059 20 10 GICDRN CC[C@@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000121576739 823209503 /nfs/dbraw/zinc/20/95/03/823209503.db2.gz QHENZPGXGJKXMP-SJORKVTESA-N 0 0 396.535 4.059 20 10 GICDRN Cc1nc(-c2ccc(CCNC(=O)N(C)Cc3ccccc3O)s2)cs1 ZINC000121589761 823211973 /nfs/dbraw/zinc/21/19/73/823211973.db2.gz FYYVMVUQCIHCIU-UHFFFAOYSA-N 0 0 387.530 4.270 20 10 GICDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121670486 823226715 /nfs/dbraw/zinc/22/67/15/823226715.db2.gz LERDRZRMQQZBPM-HXUWFJFHSA-N 0 0 381.863 4.372 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)c1O ZINC000121685599 823230323 /nfs/dbraw/zinc/23/03/23/823230323.db2.gz XXLPEIFSIFQSLH-IBGZPJMESA-N 0 0 397.862 4.038 20 10 GICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 ZINC000057140075 823254171 /nfs/dbraw/zinc/25/41/71/823254171.db2.gz KOCBBICFBIOKSD-UHFFFAOYSA-N 0 0 381.354 4.062 20 10 GICDRN COc1ccc(N(C)Cc2nnc(-c3ccccc3Br)o2)cc1F ZINC000121825512 823258494 /nfs/dbraw/zinc/25/84/94/823258494.db2.gz ZXUIJMGVPOSPQG-UHFFFAOYSA-N 0 0 392.228 4.283 20 10 GICDRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 ZINC000001157340 817374755 /nfs/dbraw/zinc/37/47/55/817374755.db2.gz UZRBFQJSYJIMLY-WJDWOHSUSA-N 0 0 387.457 4.408 20 10 GICDRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S ZINC000001416399 817376958 /nfs/dbraw/zinc/37/69/58/817376958.db2.gz UPRNAAWVUZIBTJ-RGEXLXHISA-N 0 0 396.537 4.237 20 10 GICDRN CC(=O)N1CCN(c2cccc(N[C@H](C)c3ccc4ccccc4c3O)c2)CC1 ZINC000188548992 823260476 /nfs/dbraw/zinc/26/04/76/823260476.db2.gz UXRIEZAIENJEPC-QGZVFWFLSA-N 0 0 389.499 4.387 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000005643678 817603242 /nfs/dbraw/zinc/60/32/42/817603242.db2.gz KVCQSSBHUYLUPL-QGZVFWFLSA-N 0 0 394.475 4.056 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1Cl ZINC000121939185 823281002 /nfs/dbraw/zinc/28/10/02/823281002.db2.gz GSTXCIGANVLDKK-UHFFFAOYSA-N 0 0 387.911 4.332 20 10 GICDRN O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000007155242 817773890 /nfs/dbraw/zinc/77/38/90/817773890.db2.gz CTHMJQCPHRXOEU-BOPFTXTBSA-N 0 0 377.494 4.087 20 10 GICDRN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1Br ZINC000007209240 817794566 /nfs/dbraw/zinc/79/45/66/817794566.db2.gz LTUSZCSDEQSLSC-GDNBJRDFSA-N 0 0 395.322 4.350 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000188779365 823303514 /nfs/dbraw/zinc/30/35/14/823303514.db2.gz FSUPQSBFBKCHAE-GFCCVEGCSA-N 0 0 377.400 4.028 20 10 GICDRN COc1cc2c(cc1NCCN1C(=O)c3ccccc3C1=O)oc1ccccc12 ZINC000011619466 818100585 /nfs/dbraw/zinc/10/05/85/818100585.db2.gz AZHVTXZHYLEMEB-UHFFFAOYSA-N 0 0 386.407 4.303 20 10 GICDRN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122155786 823314347 /nfs/dbraw/zinc/31/43/47/823314347.db2.gz ZXZIBDQARBYGQN-UHFFFAOYSA-N 0 0 382.485 4.119 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2c(C)nn(C)c2Cl)c(C)n1-c1ccc(C)cc1 ZINC000014364451 818237968 /nfs/dbraw/zinc/23/79/68/818237968.db2.gz NMUNMONLHQCAGK-UHFFFAOYSA-N 0 0 399.878 4.138 20 10 GICDRN COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(N(C)C)cc3)s2)cc1 ZINC000015832896 818374760 /nfs/dbraw/zinc/37/47/60/818374760.db2.gz YEYJXKPUHUXFKN-UHFFFAOYSA-N 0 0 381.501 4.123 20 10 GICDRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S ZINC000016404987 818437471 /nfs/dbraw/zinc/43/74/71/818437471.db2.gz PSIJWWSZTHIOFD-OQLLNIDSSA-N 0 0 390.442 4.085 20 10 GICDRN COc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)O[C@H](C)C2 ZINC000018902528 818579930 /nfs/dbraw/zinc/57/99/30/818579930.db2.gz WCQOUMVCSUQZSA-OTWJJXBCSA-N 0 0 383.494 4.424 20 10 GICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ncc(C2CCOCC2)s1 ZINC000572479605 823347409 /nfs/dbraw/zinc/34/74/09/823347409.db2.gz YENJLLHQPRQXBZ-UHFFFAOYSA-N 0 0 384.505 4.159 20 10 GICDRN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2o1 ZINC000122467324 823358623 /nfs/dbraw/zinc/35/86/23/823358623.db2.gz GFTZINXATUVNRQ-UHFFFAOYSA-N 0 0 382.489 4.011 20 10 GICDRN O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(OCCOCC(F)F)cc2o1 ZINC000189187570 823372822 /nfs/dbraw/zinc/37/28/22/823372822.db2.gz QUWTURAQDZOAEP-UHFFFAOYSA-N 0 0 391.326 4.029 20 10 GICDRN COc1cccc(CNC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1 ZINC000024040966 819013424 /nfs/dbraw/zinc/01/34/24/819013424.db2.gz JKGMHOOBWPLBLB-UHFFFAOYSA-N 0 0 390.439 4.332 20 10 GICDRN CCCCNc1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000122729492 823401840 /nfs/dbraw/zinc/40/18/40/823401840.db2.gz FFOHHXVWXFFHNX-UHFFFAOYSA-N 0 0 381.520 4.007 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c(C)n1-c1ccccn1 ZINC000122762422 823407915 /nfs/dbraw/zinc/40/79/15/823407915.db2.gz DFWCXLBNYKAHMA-UHFFFAOYSA-N 0 0 385.471 4.151 20 10 GICDRN CC1(C)CN(C(=O)NCCCSc2nccs2)CC[C@@H]1C(F)(F)F ZINC000189558715 823443934 /nfs/dbraw/zinc/44/39/34/823443934.db2.gz DMWDRUNDXKGIFD-NSHDSACASA-N 0 0 381.489 4.245 20 10 GICDRN CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000025553510 820002268 /nfs/dbraw/zinc/00/22/68/820002268.db2.gz HJAKFMSSQJXIRQ-UHFFFAOYSA-N 0 0 375.472 4.291 20 10 GICDRN O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1c1ccccc1 ZINC000027121823 820196631 /nfs/dbraw/zinc/19/66/31/820196631.db2.gz FKAPFFFZCZYYSJ-WQRHYEAKSA-N 0 0 377.494 4.337 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000028005329 820303978 /nfs/dbraw/zinc/30/39/78/820303978.db2.gz DLJFANBKICXXNY-UHFFFAOYSA-N 0 0 387.483 4.277 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C(C)(C)C ZINC000123355581 823500841 /nfs/dbraw/zinc/50/08/41/823500841.db2.gz WKUMIJXFQQZDGU-UHFFFAOYSA-N 0 0 381.520 4.485 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc(C2CC2)cs1 ZINC000123417797 823507325 /nfs/dbraw/zinc/50/73/25/823507325.db2.gz GGFUMWAZXUBQNA-UHFFFAOYSA-N 0 0 384.549 4.352 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CSc2nccn2C)o1 ZINC000060349115 823518044 /nfs/dbraw/zinc/51/80/44/823518044.db2.gz CQMXTDPRKMHLDA-UHFFFAOYSA-N 0 0 385.489 4.063 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000033339074 821055259 /nfs/dbraw/zinc/05/52/59/821055259.db2.gz OSQHCAZVUMCCGA-QGOAFFKASA-N 0 0 385.510 4.148 20 10 GICDRN CCN(C(=O)NCCCSc1nccs1)[C@H](C)c1cccc(OC)c1 ZINC000177851326 823536357 /nfs/dbraw/zinc/53/63/57/823536357.db2.gz GCFZFQOOKIBPOK-CQSZACIVSA-N 0 0 379.551 4.427 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)s2)cc1 ZINC000180840277 821489319 /nfs/dbraw/zinc/48/93/19/821489319.db2.gz IASJWMHRKIFWCH-QDEBKDIKSA-N 0 0 381.453 4.165 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181002196 821586153 /nfs/dbraw/zinc/58/61/53/821586153.db2.gz QIODZWLCRQDEMP-ONNFQVAWSA-N 0 0 380.425 4.064 20 10 GICDRN COc1ccc(O)c(CNc2cccc(CS(=O)(=O)C3CCCCC3)c2)c1 ZINC000181056998 821613675 /nfs/dbraw/zinc/61/36/75/821613675.db2.gz VBLBEFHPTFVAQN-UHFFFAOYSA-N 0 0 389.517 4.260 20 10 GICDRN CCN(C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181118715 821644200 /nfs/dbraw/zinc/64/42/00/821644200.db2.gz NCQWUFIPFDBXBE-KHOFPDMRSA-N 0 0 386.477 4.143 20 10 GICDRN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181125523 821649127 /nfs/dbraw/zinc/64/91/27/821649127.db2.gz SUBHRRDRRIKNDK-INIZCTEOSA-N 0 0 381.520 4.103 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000181585338 821890115 /nfs/dbraw/zinc/89/01/15/821890115.db2.gz RVIOFEJEFXZBNA-SFHVURJKSA-N 0 0 398.466 4.377 20 10 GICDRN COc1ccc(O)c([C@@H](C)NCc2csc(COc3ccc(F)cc3)n2)c1 ZINC000182361644 822215361 /nfs/dbraw/zinc/21/53/61/822215361.db2.gz PTBMNNYGDWCENG-CYBMUJFWSA-N 0 0 388.464 4.426 20 10 GICDRN CCOc1cccc(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388897 822225848 /nfs/dbraw/zinc/22/58/48/822225848.db2.gz ITPCOHMOHUEZFH-SFHVURJKSA-N 0 0 381.394 4.383 20 10 GICDRN CCc1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc(=O)[nH]1 ZINC000182679929 822349664 /nfs/dbraw/zinc/34/96/64/822349664.db2.gz LRHZTOYDPVCPCJ-INIZCTEOSA-N 0 0 376.456 4.047 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2)cc1 ZINC000178744291 822406762 /nfs/dbraw/zinc/40/67/62/822406762.db2.gz ZUDFMGLGBZETAS-UHFFFAOYSA-N 0 0 392.459 4.013 20 10 GICDRN CO[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccccc1 ZINC000179144167 822442934 /nfs/dbraw/zinc/44/29/34/822442934.db2.gz GAEXTTLEEYIZFO-GOSISDBHSA-N 0 0 380.410 4.031 20 10 GICDRN COc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183458443 822478152 /nfs/dbraw/zinc/47/81/52/822478152.db2.gz XHRYLHKOKXDEJD-ZDUSSCGKSA-N 0 0 383.469 4.196 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)c(O)c1O ZINC000179503157 822492501 /nfs/dbraw/zinc/49/25/01/822492501.db2.gz UUFHIVMVECDVLB-NDEPHWFRSA-N 0 0 395.480 4.107 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000046618390 822493755 /nfs/dbraw/zinc/49/37/55/822493755.db2.gz JHUZHJXBPBZDPW-QGZVFWFLSA-N 0 0 399.535 4.371 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000047052484 822540794 /nfs/dbraw/zinc/54/07/94/822540794.db2.gz JVJNDTHMQTXNCZ-SFHVURJKSA-N 0 0 376.504 4.451 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccc1F ZINC000047065412 822541758 /nfs/dbraw/zinc/54/17/58/822541758.db2.gz HXTZRMQTSWWYSY-UHFFFAOYSA-N 0 0 397.372 4.003 20 10 GICDRN Cc1nn(C)c(C)c1CCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000179769946 822549243 /nfs/dbraw/zinc/54/92/43/822549243.db2.gz LJRLXENLJNXSNY-UHFFFAOYSA-N 0 0 398.551 4.220 20 10 GICDRN Cc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047326097 822566690 /nfs/dbraw/zinc/56/66/90/822566690.db2.gz DJMWNOBHJGTPMX-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000184031759 822567665 /nfs/dbraw/zinc/56/76/65/822567665.db2.gz KIBSLXJNJYJTRR-IFMALSPDSA-N 0 0 379.504 4.006 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000047338969 822568673 /nfs/dbraw/zinc/56/86/73/822568673.db2.gz AULBIJJKDJHKCZ-UHFFFAOYSA-N 0 0 380.419 4.057 20 10 GICDRN C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179969022 822587628 /nfs/dbraw/zinc/58/76/28/822587628.db2.gz BKNPQJFTGFAPPT-MRXNPFEDSA-N 0 0 385.483 4.243 20 10 GICDRN CC(C)c1nccn1Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047580680 822592868 /nfs/dbraw/zinc/59/28/68/822592868.db2.gz YWZSMAGZDFECBC-UHFFFAOYSA-N 0 0 378.476 4.424 20 10 GICDRN Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180027936 822600271 /nfs/dbraw/zinc/60/02/71/822600271.db2.gz YDEJBAVVHULATH-INIZCTEOSA-N 0 0 399.466 4.100 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C[S@](C)=O ZINC000184319546 822614128 /nfs/dbraw/zinc/61/41/28/822614128.db2.gz NTJJHBLBVSDFOX-NDEPHWFRSA-N 0 0 399.560 4.219 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000180168465 822631408 /nfs/dbraw/zinc/63/14/08/822631408.db2.gz YZBNDJIOCIBLTA-UHFFFAOYSA-N 0 0 376.243 4.157 20 10 GICDRN COc1ccc(O)c([C@H](C)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000184552951 822656138 /nfs/dbraw/zinc/65/61/38/822656138.db2.gz GMKMZDPVKSSHPT-INIZCTEOSA-N 0 0 392.503 4.483 20 10 GICDRN O=C(Cc1ccc(NCc2cc(F)ccc2O)cc1)N1CCc2ccccc21 ZINC000180342039 822666599 /nfs/dbraw/zinc/66/65/99/822666599.db2.gz CROCUSCAJQZTDZ-UHFFFAOYSA-N 0 0 376.431 4.275 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1cc(Br)cc(Br)c1 ZINC000180375377 822671997 /nfs/dbraw/zinc/67/19/97/822671997.db2.gz LKGHOEZLOXWAIV-UHFFFAOYSA-N 0 0 399.082 4.189 20 10 GICDRN O=C1CCCC(=O)N1Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000184812683 822694470 /nfs/dbraw/zinc/69/44/70/822694470.db2.gz DFNIAVWJFMDCNA-UHFFFAOYSA-N 0 0 391.515 4.328 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051237883 822751823 /nfs/dbraw/zinc/75/18/23/822751823.db2.gz QEYUFWUHKLZUSM-RBBKRZOGSA-N 0 0 381.520 4.062 20 10 GICDRN Cc1nnc([C@@H](N[C@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324180 822765935 /nfs/dbraw/zinc/76/59/35/822765935.db2.gz YFMPGNXYXRBNPD-DIFFPNOSSA-N 0 0 387.281 4.021 20 10 GICDRN Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1cccc(C(C)C)c1 ZINC000052361117 822797404 /nfs/dbraw/zinc/79/74/04/822797404.db2.gz HESUPUPCXQLXRY-UHFFFAOYSA-N 0 0 382.504 4.197 20 10 GICDRN Oc1cc(OCc2ccccc2)ccc1CNc1cccc2c1OCC[C@H]2O ZINC000185578424 822798565 /nfs/dbraw/zinc/79/85/65/822798565.db2.gz KSWYTQDUNNEOIN-OAQYLSRUSA-N 0 0 377.440 4.399 20 10 GICDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1nc2ccccc2o1 ZINC000052426893 822798871 /nfs/dbraw/zinc/79/88/71/822798871.db2.gz MDWMQJWZIZVCQX-UHFFFAOYSA-N 0 0 377.366 4.295 20 10 GICDRN OCC1CCN(c2ccc(CNc3ncnc4c5ccccc5oc43)cc2)CC1 ZINC000052446542 822799985 /nfs/dbraw/zinc/79/99/85/822799985.db2.gz OMMSCJXVCQIWKY-UHFFFAOYSA-N 0 0 388.471 4.197 20 10 GICDRN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174518445 822800106 /nfs/dbraw/zinc/80/01/06/822800106.db2.gz PTHZJLXZEJRJBJ-UHFFFAOYSA-N 0 0 382.485 4.155 20 10 GICDRN OC1CCN(c2ccc(CNc3ncnc4c5ccccc5oc43)cc2F)CC1 ZINC000052457480 822800275 /nfs/dbraw/zinc/80/02/75/822800275.db2.gz RSHZCIABADDTHI-UHFFFAOYSA-N 0 0 392.434 4.088 20 10 GICDRN COc1cccc(CNC(=O)NCc2ccc(OC3CCCCC3)cc2)c1O ZINC000174536663 822802684 /nfs/dbraw/zinc/80/26/84/822802684.db2.gz FHRJUOFAIZHJDB-UHFFFAOYSA-N 0 0 384.476 4.112 20 10 GICDRN CCOCc1cc(CN[C@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656034 822818950 /nfs/dbraw/zinc/81/89/50/822818950.db2.gz PNTZDXBKNLQSCI-OAHLLOKOSA-N 0 0 397.475 4.141 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc1 ZINC000174691403 822823951 /nfs/dbraw/zinc/82/39/51/822823951.db2.gz OJTPWSIWOIDCRC-UHFFFAOYSA-N 0 0 384.436 4.010 20 10 GICDRN CCN(CC)c1ccc(CNc2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000185896996 822831005 /nfs/dbraw/zinc/83/10/05/822831005.db2.gz UGJYUFWOPNOWIV-LJQANCHMSA-N 0 0 380.448 4.040 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(F)ccc1F ZINC000174752616 822832568 /nfs/dbraw/zinc/83/25/68/822832568.db2.gz LPLGWSFJEFSIBT-UHFFFAOYSA-N 0 0 399.235 4.165 20 10 GICDRN Cc1cc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)n1-c1ccc(F)cc1 ZINC000185916083 822833028 /nfs/dbraw/zinc/83/30/28/822833028.db2.gz OHYOZFXBNRHKMN-UHFFFAOYSA-N 0 0 392.434 4.463 20 10 GICDRN CCOc1ccc2c(c1)[C@@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CCO2 ZINC000186070197 822848992 /nfs/dbraw/zinc/84/89/92/822848992.db2.gz BGHIWQOGKYGSMD-NRFANRHFSA-N 0 0 397.519 4.207 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186101222 822851617 /nfs/dbraw/zinc/85/16/17/822851617.db2.gz RFLRTPKIZLTZIR-CVEARBPZSA-N 0 0 388.483 4.238 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000054058802 822860682 /nfs/dbraw/zinc/86/06/82/822860682.db2.gz GPISXKAMSOXWDV-UHFFFAOYSA-N 0 0 395.528 4.483 20 10 GICDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000186211401 822861334 /nfs/dbraw/zinc/86/13/34/822861334.db2.gz CAIJZJRKRLVEHE-FPOVZHCZSA-N 0 0 386.492 4.291 20 10 GICDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(Br)cc2O)c1 ZINC000186292068 822871993 /nfs/dbraw/zinc/87/19/93/822871993.db2.gz PBDDRRABKDSMOJ-RYUDHWBXSA-N 0 0 393.281 4.301 20 10 GICDRN COc1ccc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1N1CCOC1=O ZINC000186328609 822876758 /nfs/dbraw/zinc/87/67/58/822876758.db2.gz RXOHUZCHQQRXFL-AWEZNQCLSA-N 0 0 382.460 4.409 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000186407052 822889449 /nfs/dbraw/zinc/88/94/49/822889449.db2.gz DXFHVCYSWHBWLJ-ZDUSSCGKSA-N 0 0 382.847 4.174 20 10 GICDRN O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1C1CCCCC1 ZINC000054486457 822890182 /nfs/dbraw/zinc/89/01/82/822890182.db2.gz CJKWKHQRAKGPJK-WQRHYEAKSA-N 0 0 383.542 4.465 20 10 GICDRN COCCn1c(C)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1C ZINC000054486425 822890192 /nfs/dbraw/zinc/89/01/92/822890192.db2.gz OLEWRQUXQLQLJL-PDGQHHTCSA-N 0 0 386.542 4.153 20 10 GICDRN O=C1/C(=C/c2cnn(-c3ccccc3)c2)SC(=S)N1Cc1ccccc1 ZINC000054486431 822890213 /nfs/dbraw/zinc/89/02/13/822890213.db2.gz UMHCNYPKNQLMTK-WQRHYEAKSA-N 0 0 377.494 4.274 20 10 GICDRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1 ZINC000054498847 822890953 /nfs/dbraw/zinc/89/09/53/822890953.db2.gz XACARHGBUXYMIE-PXNMLYILSA-N 0 0 390.436 4.329 20 10 GICDRN CCc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000175143122 822890993 /nfs/dbraw/zinc/89/09/93/822890993.db2.gz HDZKRQLLNFHYSO-UHFFFAOYSA-N 0 0 380.532 4.022 20 10 GICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 ZINC000186427628 822893079 /nfs/dbraw/zinc/89/30/79/822893079.db2.gz JMXYPDDMAGDTKS-QGZVFWFLSA-N 0 0 397.519 4.307 20 10 GICDRN COc1ccc(N[C@@H](C)c2ccc3ccccc3c2O)cc1-n1nnnc1C ZINC000186437567 822895562 /nfs/dbraw/zinc/89/55/62/822895562.db2.gz JEBIZAOAAJODAN-ZDUSSCGKSA-N 0 0 375.432 4.011 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000186503144 822905766 /nfs/dbraw/zinc/90/57/66/822905766.db2.gz JFJKROAZUMKDFJ-UHFFFAOYSA-N 0 0 395.528 4.111 20 10 GICDRN Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000175225855 822908949 /nfs/dbraw/zinc/90/89/49/822908949.db2.gz CYFZZZLYWQPBKN-WMZHIEFXSA-N 0 0 391.515 4.043 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000186694086 822938868 /nfs/dbraw/zinc/93/88/68/822938868.db2.gz XJZXKTLVSUOVQI-IBGZPJMESA-N 0 0 391.437 4.432 20 10 GICDRN CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000175393783 822957419 /nfs/dbraw/zinc/95/74/19/822957419.db2.gz MRRFEGFILAJRGV-UHFFFAOYSA-N 0 0 387.867 4.205 20 10 GICDRN C[C@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2F)C[C@H](C)O1 ZINC000055529690 822975178 /nfs/dbraw/zinc/97/51/78/822975178.db2.gz DXTZEKFZLLIFKO-STQMWFEESA-N 0 0 394.849 4.162 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)s1 ZINC000055530728 822975344 /nfs/dbraw/zinc/97/53/44/822975344.db2.gz HHCLLDMBMPFXNC-BETUJISGSA-N 0 0 376.497 4.048 20 10 GICDRN Cc1cc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)oc2cc1C ZINC000175543174 822994036 /nfs/dbraw/zinc/99/40/36/822994036.db2.gz FGZJONYELQNOLD-UHFFFAOYSA-N 0 0 396.462 4.080 20 10 GICDRN CCS[C@H]1CCC[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000175716760 823026301 /nfs/dbraw/zinc/02/63/01/823026301.db2.gz LSQGTVGWOUMABM-PXNSSMCTSA-N 0 0 391.581 4.028 20 10 GICDRN Cc1nc(CC(C)C)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000190233505 823553779 /nfs/dbraw/zinc/55/37/79/823553779.db2.gz QGRYQOIFZWMTDU-FQEVSTJZSA-N 0 0 399.535 4.069 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)cc1F ZINC000123948698 823554288 /nfs/dbraw/zinc/55/42/88/823554288.db2.gz FHGPYYWSGTVGDQ-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN Cc1cc(C(=O)N2CCN(Cc3cccs3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000060782726 823557088 /nfs/dbraw/zinc/55/70/88/823557088.db2.gz NTKREPBUGHVZNS-UHFFFAOYSA-N 0 0 397.519 4.253 20 10 GICDRN O=C(Nc1ccc(OC(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124136230 823570893 /nfs/dbraw/zinc/57/08/93/823570893.db2.gz LLGWFVLLVNKOFE-QGZVFWFLSA-N 0 0 392.402 4.207 20 10 GICDRN CC1CCN(c2cccc(NC(=O)c3cccc(CN4CCOCC4)c3)c2)CC1 ZINC000124514143 823602538 /nfs/dbraw/zinc/60/25/38/823602538.db2.gz RUXXQACDBJIOSX-UHFFFAOYSA-N 0 0 393.531 4.007 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000061620152 823606413 /nfs/dbraw/zinc/60/64/13/823606413.db2.gz JMLCQFGBHFWXOR-UHFFFAOYSA-N 0 0 390.531 4.277 20 10 GICDRN Cc1csc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000190957547 823630434 /nfs/dbraw/zinc/63/04/34/823630434.db2.gz AECCKBLABBWDOZ-LBPRGKRZSA-N 0 0 383.473 4.282 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000190976213 823633332 /nfs/dbraw/zinc/63/33/32/823633332.db2.gz SDHWGXKYKSKRQW-LBPRGKRZSA-N 0 0 382.382 4.345 20 10 GICDRN Cc1coc(-c2cc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)ccc2C)n1 ZINC000190979051 823633660 /nfs/dbraw/zinc/63/36/60/823633660.db2.gz YXBSAIUGQGORAF-ZDUSSCGKSA-N 0 0 381.432 4.122 20 10 GICDRN CC(=O)N(C)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000062456062 823636001 /nfs/dbraw/zinc/63/60/01/823636001.db2.gz HVMWAUYFGCBFOJ-UHFFFAOYSA-N 0 0 394.519 4.324 20 10 GICDRN COc1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC ZINC000062577247 823641745 /nfs/dbraw/zinc/64/17/45/823641745.db2.gz CBRNJTDVFGEUIY-UHFFFAOYSA-N 0 0 394.471 4.050 20 10 GICDRN O=C(Nc1cccc(OC(F)F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000125016548 823645399 /nfs/dbraw/zinc/64/53/99/823645399.db2.gz INWPMZPGQNUISD-KRWDZBQOSA-N 0 0 392.402 4.207 20 10 GICDRN CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)c1nccn1Cc1ccccc1 ZINC000063278791 823659328 /nfs/dbraw/zinc/65/93/28/823659328.db2.gz XZLFNQWGLPEIJA-LTGZKZEYSA-N 0 0 375.472 4.101 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC ZINC000125692341 823697229 /nfs/dbraw/zinc/69/72/29/823697229.db2.gz VIPPQSKNDWGGTK-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN CCCOc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000125708897 823698802 /nfs/dbraw/zinc/69/88/02/823698802.db2.gz IFPJYIUJWSRBJF-UHFFFAOYSA-N 0 0 397.519 4.006 20 10 GICDRN CCc1ccc2c(CN(C)c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1 ZINC000125714058 823699432 /nfs/dbraw/zinc/69/94/32/823699432.db2.gz ONHUMNKURNNNHK-UHFFFAOYSA-N 0 0 383.444 4.018 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000125757297 823704980 /nfs/dbraw/zinc/70/49/80/823704980.db2.gz CEFIDOZJDHWLSG-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000125766905 823706323 /nfs/dbraw/zinc/70/63/23/823706323.db2.gz MLFPKBLKLOZKAJ-UHFFFAOYSA-N 0 0 381.259 4.076 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000125886786 823737590 /nfs/dbraw/zinc/73/75/90/823737590.db2.gz TXTBSXZIKDHJCX-IBGZPJMESA-N 0 0 383.492 4.238 20 10 GICDRN Cc1c(NCc2ccc(N(C)C)c(F)c2)cccc1C(=O)N1CCSCC1 ZINC000126122372 823793570 /nfs/dbraw/zinc/79/35/70/823793570.db2.gz KHYSPRZHVWMADG-UHFFFAOYSA-N 0 0 387.524 4.001 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)s1 ZINC000164338097 823796841 /nfs/dbraw/zinc/79/68/41/823796841.db2.gz AYGQVVHDVBONQP-UHFFFAOYSA-N 0 0 389.546 4.064 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2CSC2=NCCS2)cc1 ZINC000126378755 823852673 /nfs/dbraw/zinc/85/26/73/823852673.db2.gz RFXZPSDPFQTXIQ-UHFFFAOYSA-N 0 0 399.585 4.361 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccncc1C(F)(F)F ZINC000192137540 823874949 /nfs/dbraw/zinc/87/49/49/823874949.db2.gz FWKYNDMMBLJYRQ-UHFFFAOYSA-N 0 0 377.410 4.363 20 10 GICDRN Cc1[nH]c2ccc(CNC(=O)NCc3ccc(N4CCCC4)cc3)cc2c1C ZINC000065018794 823925986 /nfs/dbraw/zinc/92/59/86/823925986.db2.gz LGSSRMSWCDTSKK-UHFFFAOYSA-N 0 0 376.504 4.384 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170695300 823943251 /nfs/dbraw/zinc/94/32/51/823943251.db2.gz FFJMWEFEFBRHRS-YADHBBJMSA-N 0 0 381.520 4.204 20 10 GICDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000065127047 823949571 /nfs/dbraw/zinc/94/95/71/823949571.db2.gz CAMWIXLFCYSRIM-OAHLLOKOSA-N 0 0 390.487 4.270 20 10 GICDRN CC(C)c1cnc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000192391789 823969085 /nfs/dbraw/zinc/96/90/85/823969085.db2.gz MZZHMBIJUAYEFN-HNNXBMFYSA-N 0 0 375.494 4.185 20 10 GICDRN CN(Cc1ncc(-c2ccccc2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000126958188 823989341 /nfs/dbraw/zinc/98/93/41/823989341.db2.gz KTYOMNRJHSGCBD-UHFFFAOYSA-N 0 0 379.529 4.279 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000170875699 823997247 /nfs/dbraw/zinc/99/72/47/823997247.db2.gz PAWQCUVKCXIFFA-FQEVSTJZSA-N 0 0 393.487 4.062 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000126998859 823997855 /nfs/dbraw/zinc/99/78/55/823997855.db2.gz FPARAFWJKAAFME-HXUWFJFHSA-N 0 0 384.520 4.116 20 10 GICDRN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 ZINC000040867568 205073575 /nfs/dbraw/zinc/07/35/75/205073575.db2.gz SWALKAQXMJIPDP-SXGWCWSVSA-N 0 0 375.446 4.249 20 10 GICDRN CCCc1nc(C(=O)N(CCC)Cc2ccccc2O)nn1-c1ccccc1F ZINC000175867769 823059357 /nfs/dbraw/zinc/05/93/57/823059357.db2.gz BZVRTPJYVAVMMD-UHFFFAOYSA-N 0 0 396.466 4.117 20 10 GICDRN Cc1nc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)sc1C ZINC000120767694 823060258 /nfs/dbraw/zinc/06/02/58/823060258.db2.gz GZZRBLCQZXDMLY-UHFFFAOYSA-N 0 0 385.489 4.013 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCCC2)c1 ZINC000120808346 823068393 /nfs/dbraw/zinc/06/83/93/823068393.db2.gz RZDFDZGSIORYMW-LJQANCHMSA-N 0 0 390.531 4.223 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCC([C@H]4CCCO4)CC3)cc2)CC1 ZINC000187512714 823078448 /nfs/dbraw/zinc/07/84/48/823078448.db2.gz RYZLBRBNBWMZPS-JOCHJYFZSA-N 0 0 385.552 4.024 20 10 GICDRN Cn1cc([C@H](NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000187521837 823080556 /nfs/dbraw/zinc/08/05/56/823080556.db2.gz FFQGBLRWKYWHDG-HSZRJFAPSA-N 0 0 378.495 4.429 20 10 GICDRN Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c(C)n1-c1ccccn1 ZINC000120951629 823091607 /nfs/dbraw/zinc/09/16/07/823091607.db2.gz JELNAMFHRWYWGK-HSZRJFAPSA-N 0 0 382.467 4.404 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1c(Cl)cccc1Cl ZINC000176049040 823106402 /nfs/dbraw/zinc/10/64/02/823106402.db2.gz BLLAOENLEFXPKJ-UHFFFAOYSA-N 0 0 381.328 4.477 20 10 GICDRN CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])ccc2NC1=O ZINC000187743186 823123686 /nfs/dbraw/zinc/12/36/86/823123686.db2.gz SKURJXGBQYZSMM-MMPTUQATSA-N 0 0 376.403 4.192 20 10 GICDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000176154976 823138057 /nfs/dbraw/zinc/13/80/57/823138057.db2.gz XCXLRCYPZXTHAH-ZFWWWQNUSA-N 0 0 379.909 4.418 20 10 GICDRN O=C(c1occc1Br)N(Cc1ccco1)Cc1ccccc1O ZINC000176161332 823139851 /nfs/dbraw/zinc/13/98/51/823139851.db2.gz VNVVRWPMBOWDQM-UHFFFAOYSA-N 0 0 376.206 4.183 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1csc(C)n1 ZINC000176175698 823145067 /nfs/dbraw/zinc/14/50/67/823145067.db2.gz IHMIFXAKJCUFRN-UHFFFAOYSA-N 0 0 397.338 4.291 20 10 GICDRN CN(Cc1nc(-c2ccccc2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121308004 823160104 /nfs/dbraw/zinc/16/01/04/823160104.db2.gz VJFXRGLOMRSUKK-UHFFFAOYSA-N 0 0 379.529 4.279 20 10 GICDRN CCOc1cc(C)ccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056632829 823186362 /nfs/dbraw/zinc/18/63/62/823186362.db2.gz GILHDZBFJGTPLW-UHFFFAOYSA-N 0 0 383.492 4.147 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000056639069 823187553 /nfs/dbraw/zinc/18/75/53/823187553.db2.gz BCVFFKJMAWBDMQ-UHFFFAOYSA-N 0 0 395.503 4.461 20 10 GICDRN Cc1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1C ZINC000176414516 823203415 /nfs/dbraw/zinc/20/34/15/823203415.db2.gz IUZICHCAVMMEPG-HHHXNRCGSA-N 0 0 380.513 4.070 20 10 GICDRN Cc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)c(C)n1-c1ccccn1 ZINC000176445971 823209409 /nfs/dbraw/zinc/20/94/09/823209409.db2.gz RQSMUBKCKRNDEU-UHFFFAOYSA-N 0 0 381.520 4.301 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000121778034 823248606 /nfs/dbraw/zinc/24/86/06/823248606.db2.gz AZRNNISOPIUSTD-QGZVFWFLSA-N 0 0 399.560 4.199 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000006486524 817698063 /nfs/dbraw/zinc/69/80/63/817698063.db2.gz IWPDUZRFYFJHGZ-UHFFFAOYSA-N 0 0 377.444 4.047 20 10 GICDRN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=Cc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000007133190 817769104 /nfs/dbraw/zinc/76/91/04/817769104.db2.gz NVSLNFWGKCMESF-WJDWOHSUSA-N 0 0 384.823 4.045 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl ZINC000121974916 823287403 /nfs/dbraw/zinc/28/74/03/823287403.db2.gz BYDBBZKCSXQRLP-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000007179211 817783690 /nfs/dbraw/zinc/78/36/90/817783690.db2.gz ZSECMGPCOGGGLI-UHFFFAOYSA-N 0 0 382.876 4.269 20 10 GICDRN CCN(Cc1cccc(F)c1)C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000007210591 817794509 /nfs/dbraw/zinc/79/45/09/817794509.db2.gz MXPLARDDBQLVQY-UHFFFAOYSA-N 0 0 383.492 4.367 20 10 GICDRN Cc1ccc(-c2nn(Cc3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000007351486 817822357 /nfs/dbraw/zinc/82/23/57/817822357.db2.gz HFLOPCATPJRNRF-WQRHYEAKSA-N 0 0 391.521 4.396 20 10 GICDRN COc1ccc(N2CCC(NC(=O)C[C@@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000122021680 823294536 /nfs/dbraw/zinc/29/45/36/823294536.db2.gz RPJKOMBRNUZQIT-OAHLLOKOSA-N 0 0 388.458 4.252 20 10 GICDRN CC[C@H](CC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000122025642 823295497 /nfs/dbraw/zinc/29/54/97/823295497.db2.gz QUJKSLLCUPURQG-GOSISDBHSA-N 0 0 396.531 4.373 20 10 GICDRN COc1ccc(N2CCN(Cc3nc(-c4ccccc4)oc3C)CC2)cc1F ZINC000122074966 823302389 /nfs/dbraw/zinc/30/23/89/823302389.db2.gz WSKQTXOCVYYJOV-UHFFFAOYSA-N 0 0 381.451 4.120 20 10 GICDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(O)c1O ZINC000007885301 817951008 /nfs/dbraw/zinc/95/10/08/817951008.db2.gz FXEVLYQJYQOXPY-NRFANRHFSA-N 0 0 376.412 4.186 20 10 GICDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176810088 823298502 /nfs/dbraw/zinc/29/85/02/823298502.db2.gz PPJFDHVIZUWBIL-LAUBAEHRSA-N 0 0 386.492 4.148 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000057512261 823306120 /nfs/dbraw/zinc/30/61/20/823306120.db2.gz KINANMFDAXSQFP-NRFANRHFSA-N 0 0 389.499 4.122 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2ccccc21 ZINC000011005601 818042749 /nfs/dbraw/zinc/04/27/49/818042749.db2.gz CKDLXKZQPACQBQ-UHFFFAOYSA-N 0 0 375.472 4.340 20 10 GICDRN O=C(NCCCSc1nccs1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000188894956 823324418 /nfs/dbraw/zinc/32/44/18/823324418.db2.gz CAJLJWTUVAOBSC-ZDUSSCGKSA-N 0 0 389.468 4.271 20 10 GICDRN CN(Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387217 818433003 /nfs/dbraw/zinc/43/30/03/818433003.db2.gz UYYRMUKZJDMSQQ-UHFFFAOYSA-N 0 0 397.906 4.464 20 10 GICDRN CC(=O)CCc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3)c(C)c2c1 ZINC000018214889 818557371 /nfs/dbraw/zinc/55/73/71/818557371.db2.gz RUUWOLJKLUAOSH-UHFFFAOYSA-N 0 0 378.472 4.259 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189049029 823348246 /nfs/dbraw/zinc/34/82/46/823348246.db2.gz RHMMOAWERPOFKH-LLVKDONJSA-N 0 0 397.368 4.035 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000021412592 818684599 /nfs/dbraw/zinc/68/45/99/818684599.db2.gz OBJRRIRMPGULGI-QHCPKHFHSA-N 0 0 395.547 4.067 20 10 GICDRN COc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000122467035 823358561 /nfs/dbraw/zinc/35/85/61/823358561.db2.gz JPIMFNGQJVYZNL-QGZVFWFLSA-N 0 0 399.560 4.151 20 10 GICDRN COc1ccc(C(=O)NCCCSc2nccs2)cc1-c1ccccn1 ZINC000122468072 823358880 /nfs/dbraw/zinc/35/88/80/823358880.db2.gz CVJRRGBPAULZRX-UHFFFAOYSA-N 0 0 385.514 4.126 20 10 GICDRN CCc1cccc(CC)c1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122491168 823362202 /nfs/dbraw/zinc/36/22/02/823362202.db2.gz XUTDLZFEWGYDNZ-UHFFFAOYSA-N 0 0 385.483 4.313 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)NCc3nc(C4CC4)cs3)cc2)CC1 ZINC000122495152 823363163 /nfs/dbraw/zinc/36/31/63/823363163.db2.gz MBFFYIVLLGGAHK-UHFFFAOYSA-N 0 0 384.549 4.256 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)COc3ccccc3C(N)=O)c2C)c1 ZINC000022707423 818849149 /nfs/dbraw/zinc/84/91/49/818849149.db2.gz SNJGWKQCPRBVJM-UHFFFAOYSA-N 0 0 394.496 4.177 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(cccc2F)s1 ZINC000024192772 819031415 /nfs/dbraw/zinc/03/14/15/819031415.db2.gz OKCPDXNHUGGTBD-UHFFFAOYSA-N 0 0 384.476 4.149 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1 ZINC000024297346 819043731 /nfs/dbraw/zinc/04/37/31/819043731.db2.gz WIDXTPFALYXVBH-UHFFFAOYSA-N 0 0 377.469 4.391 20 10 GICDRN CC(C)c1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccc(F)cc1 ZINC000024571902 819073087 /nfs/dbraw/zinc/07/30/87/819073087.db2.gz ZQEYXUWOQCLQGY-UHFFFAOYSA-N 0 0 380.467 4.131 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000177152254 823384497 /nfs/dbraw/zinc/38/44/97/823384497.db2.gz ANCRQSUEPUGTAY-UHFFFAOYSA-N 0 0 377.843 4.183 20 10 GICDRN CN(C)c1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1F ZINC000058545358 823407080 /nfs/dbraw/zinc/40/70/80/823407080.db2.gz LHWDUNDUVGDRQA-UHFFFAOYSA-N 0 0 390.890 4.178 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(N)cc1 ZINC000189446390 823418462 /nfs/dbraw/zinc/41/84/62/823418462.db2.gz ISEVCLBBZQVJKR-AWEZNQCLSA-N 0 0 395.409 4.280 20 10 GICDRN Cc1cc(F)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446579 823418471 /nfs/dbraw/zinc/41/84/71/823418471.db2.gz ZPBRMXIHYGHDQX-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000024597476 819854495 /nfs/dbraw/zinc/85/44/95/819854495.db2.gz PUCBXQTVYYYYDV-UHFFFAOYSA-N 0 0 389.499 4.422 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c2C)cc1 ZINC000025545418 820000972 /nfs/dbraw/zinc/00/09/72/820000972.db2.gz OFGLGZPBGUGAOP-UHFFFAOYSA-N 0 0 391.471 4.057 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)no3)c2C)c1 ZINC000026684318 820132074 /nfs/dbraw/zinc/13/20/74/820132074.db2.gz HLTRCTGEYIBWIT-UHFFFAOYSA-N 0 0 384.457 4.152 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 ZINC000027064720 820187534 /nfs/dbraw/zinc/18/75/34/820187534.db2.gz VWMFXFCYPAXAEW-UHFFFAOYSA-N 0 0 380.444 4.372 20 10 GICDRN O=C(Cc1csc(Cc2ccccc2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000028334841 820325793 /nfs/dbraw/zinc/32/57/93/820325793.db2.gz OFCFLRUCWJBIFM-UHFFFAOYSA-N 0 0 391.540 4.193 20 10 GICDRN O=C(CSc1nc(-c2ccco2)nc2ccccc21)c1ccc(O)c(O)c1 ZINC000028618132 820345410 /nfs/dbraw/zinc/34/54/10/820345410.db2.gz NBCJFBNQALMYOR-UHFFFAOYSA-N 0 0 378.409 4.276 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000029072738 820389394 /nfs/dbraw/zinc/38/93/94/820389394.db2.gz WGWFFXFDGJFDSS-IBGZPJMESA-N 0 0 394.496 4.410 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NC1CCCCC1 ZINC000029071712 820389591 /nfs/dbraw/zinc/38/95/91/820389591.db2.gz DCQPMJQLUQQDQC-IBGZPJMESA-N 0 0 399.560 4.270 20 10 GICDRN C[C@H](C1CC1)n1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000189698884 823478695 /nfs/dbraw/zinc/47/86/95/823478695.db2.gz STBBQTANVUYENE-OAHLLOKOSA-N 0 0 380.448 4.387 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(OCc2ccccn2)c1 ZINC000123459040 823511216 /nfs/dbraw/zinc/51/12/16/823511216.db2.gz DLCVLPBLWVGFGI-QGZVFWFLSA-N 0 0 391.471 4.269 20 10 GICDRN Cc1cc(C(=O)N2CCCC[C@@H]2CC(N)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000060291978 823514360 /nfs/dbraw/zinc/51/43/60/823514360.db2.gz COHNYZZODKACQT-HXUWFJFHSA-N 0 0 381.520 4.088 20 10 GICDRN COCCOc1c(Cl)cccc1NCc1cccc(Br)c1O ZINC000123551335 823520287 /nfs/dbraw/zinc/52/02/87/823520287.db2.gz JYVUDBSOSSLWGU-UHFFFAOYSA-N 0 0 386.673 4.445 20 10 GICDRN COc1cccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1OC ZINC000035038976 821064026 /nfs/dbraw/zinc/06/40/26/821064026.db2.gz KJXRJGMFJVFMEE-GZTJUZNOSA-N 0 0 399.493 4.312 20 10 GICDRN CCCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000038642805 821098433 /nfs/dbraw/zinc/09/84/33/821098433.db2.gz OKOJVZPEUMMGSO-QHCPKHFHSA-N 0 0 396.531 4.363 20 10 GICDRN Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)cc1 ZINC000039538325 821111346 /nfs/dbraw/zinc/11/13/46/821111346.db2.gz XIRLIVNWCZWKGM-UHFFFAOYSA-N 0 0 377.488 4.307 20 10 GICDRN Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000040112333 821140459 /nfs/dbraw/zinc/14/04/59/821140459.db2.gz CWZUDQQXFZFHJP-UHFFFAOYSA-N 0 0 378.472 4.262 20 10 GICDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000040888306 821165704 /nfs/dbraw/zinc/16/57/04/821165704.db2.gz TZSJGHHXXFRTGJ-QINSGFPZSA-N 0 0 377.531 4.139 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000043278672 821386346 /nfs/dbraw/zinc/38/63/46/821386346.db2.gz SJKILOOPHKVERD-UHFFFAOYSA-N 0 0 379.382 4.068 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncc(Cc2ccc(F)cc2F)s1 ZINC000180703495 821405637 /nfs/dbraw/zinc/40/56/37/821405637.db2.gz NPNKRLINGVWLDM-QHHAFSJGSA-N 0 0 388.395 4.075 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1 ZINC000180705742 821407222 /nfs/dbraw/zinc/40/72/22/821407222.db2.gz LIHYEEKQZGGWMO-UKTHLTGXSA-N 0 0 391.499 4.128 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000180790619 821459821 /nfs/dbraw/zinc/45/98/21/821459821.db2.gz SPRKLEOBTSUKQB-LKXQCNMVSA-N 0 0 399.512 4.331 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000180972495 821565635 /nfs/dbraw/zinc/56/56/35/821565635.db2.gz GEIQYEKFJSHNHE-SWGQDTFXSA-N 0 0 381.378 4.295 20 10 GICDRN CC(C)(C)c1csc(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000181070698 821617849 /nfs/dbraw/zinc/61/78/49/821617849.db2.gz VHMPQVYAGURNAT-FNORWQNLSA-N 0 0 386.517 4.271 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(Br)nc1C ZINC000181352122 821781163 /nfs/dbraw/zinc/78/11/63/821781163.db2.gz NEOOXQRWAYGWSE-UHFFFAOYSA-N 0 0 378.270 4.302 20 10 GICDRN COc1cc(O)c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429934 821822989 /nfs/dbraw/zinc/82/29/89/821822989.db2.gz MPTNGURJRMSPIX-IBGZPJMESA-N 0 0 397.393 4.002 20 10 GICDRN Cn1c(CN(Cc2cccs2)c2ccc3c(c2)OCCO3)nnc1C1CCC1 ZINC000181456954 821834856 /nfs/dbraw/zinc/83/48/56/821834856.db2.gz BNXSUZYRVMDQFN-UHFFFAOYSA-N 0 0 396.516 4.122 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(-n2cccn2)n1 ZINC000181578114 821886630 /nfs/dbraw/zinc/88/66/30/821886630.db2.gz ZWXHTFOKJBLRBL-GOSISDBHSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCNC(=O)C(C)(C)C ZINC000181580142 821887647 /nfs/dbraw/zinc/88/76/47/821887647.db2.gz HDEYNNZNUFMSPG-QGZVFWFLSA-N 0 0 382.504 4.034 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCNC(=O)C(C)(C)C ZINC000181581315 821888201 /nfs/dbraw/zinc/88/82/01/821888201.db2.gz SDILYHHQZUNXCC-SFHVURJKSA-N 0 0 396.531 4.425 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)OC(C)(C)C ZINC000181585890 821890607 /nfs/dbraw/zinc/89/06/07/821890607.db2.gz LHSGIVPLRUEQEF-MRXNPFEDSA-N 0 0 384.476 4.007 20 10 GICDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000182465363 822253421 /nfs/dbraw/zinc/25/34/21/822253421.db2.gz ULFNVAIZMIBYAO-OAQYLSRUSA-N 0 0 395.551 4.454 20 10 GICDRN O=C1/C(=C/c2cc(Cl)cc3cccnc23)SC(=S)N1Cc1ccon1 ZINC000178018347 822284472 /nfs/dbraw/zinc/28/44/72/822284472.db2.gz SRZLPAWVCBULFX-ZSOIEALJSA-N 0 0 387.873 4.278 20 10 GICDRN COc1ccc(OC(F)F)c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182799088 822369468 /nfs/dbraw/zinc/36/94/68/822369468.db2.gz GBNPVMOFPWUDDK-ZDUSSCGKSA-N 0 0 396.409 4.445 20 10 GICDRN CC(C)Oc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000045641064 822402120 /nfs/dbraw/zinc/40/21/20/822402120.db2.gz UNAHFJPZFXJKBP-UHFFFAOYSA-N 0 0 399.560 4.026 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045659182 822403288 /nfs/dbraw/zinc/40/32/88/822403288.db2.gz RWFLDCAWBDVWHD-INIZCTEOSA-N 0 0 394.519 4.004 20 10 GICDRN C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000183017870 822412212 /nfs/dbraw/zinc/41/22/12/822412212.db2.gz SBRAAWSVAVGVHX-LJQANCHMSA-N 0 0 392.547 4.176 20 10 GICDRN COc1cc(CNC(=O)N(C)Cc2ccccc2O)ccc1OCCC(C)C ZINC000045890445 822422151 /nfs/dbraw/zinc/42/21/51/822422151.db2.gz NBYSDARVZQOCPU-UHFFFAOYSA-N 0 0 386.492 4.167 20 10 GICDRN O=C(c1cc2ccccc2c(Cl)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179126601 822441067 /nfs/dbraw/zinc/44/10/67/822441067.db2.gz OZNQKTSPCMSKAC-QGZVFWFLSA-N 0 0 396.874 4.415 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@@H](C)c3nccs3)c2C)cc1 ZINC000183337493 822460672 /nfs/dbraw/zinc/46/06/72/822460672.db2.gz BIPRWFIIWFYTTE-CQSZACIVSA-N 0 0 383.517 4.435 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179362289 822471602 /nfs/dbraw/zinc/47/16/02/822471602.db2.gz LXUYWUGEADRHLO-MRXNPFEDSA-N 0 0 395.532 4.171 20 10 GICDRN CCOCCOCc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000046687195 822505544 /nfs/dbraw/zinc/50/55/44/822505544.db2.gz XIVRWSMRBJZMCT-UHFFFAOYSA-N 0 0 393.443 4.056 20 10 GICDRN Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000047036334 822538602 /nfs/dbraw/zinc/53/86/02/822538602.db2.gz LJHMGWUQJONVTF-SFHVURJKSA-N 0 0 383.561 4.451 20 10 GICDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183870853 822538627 /nfs/dbraw/zinc/53/86/27/822538627.db2.gz MZDVJSRCZSETGZ-INIZCTEOSA-N 0 0 383.540 4.107 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1OCc1ccccc1 ZINC000047161483 822549399 /nfs/dbraw/zinc/54/93/99/822549399.db2.gz YLTXMCCGLMCEFU-UHFFFAOYSA-N 0 0 376.456 4.313 20 10 GICDRN Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000047323292 822565634 /nfs/dbraw/zinc/56/56/34/822565634.db2.gz XTKBMCAINKZFPW-UHFFFAOYSA-N 0 0 381.388 4.436 20 10 GICDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000047323450 822565676 /nfs/dbraw/zinc/56/56/76/822565676.db2.gz ZTLHFBIUEDIRSP-UHFFFAOYSA-N 0 0 381.388 4.436 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(COC(C)(C)C)on1 ZINC000184035306 822568435 /nfs/dbraw/zinc/56/84/35/822568435.db2.gz RTFCQXWEPSCNST-UHFFFAOYSA-N 0 0 385.508 4.252 20 10 GICDRN Cc1c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cccc1[N+](=O)[O-] ZINC000047346096 822569393 /nfs/dbraw/zinc/56/93/93/822569393.db2.gz QLWKPGJZRATGBS-UHFFFAOYSA-N 0 0 381.388 4.436 20 10 GICDRN CC(=O)Nc1ccc(C)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047545852 822589223 /nfs/dbraw/zinc/58/92/23/822589223.db2.gz VRLNTIYMJPGQBI-UHFFFAOYSA-N 0 0 393.443 4.486 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000180062774 822606950 /nfs/dbraw/zinc/60/69/50/822606950.db2.gz HRVYARUWVUYVBD-OAHLLOKOSA-N 0 0 380.448 4.086 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000184464676 822640583 /nfs/dbraw/zinc/64/05/83/822640583.db2.gz AGDSOKDOUXMJSV-HXUWFJFHSA-N 0 0 385.508 4.319 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000184464696 822640606 /nfs/dbraw/zinc/64/06/06/822640606.db2.gz AGDSOKDOUXMJSV-FQEVSTJZSA-N 0 0 385.508 4.319 20 10 GICDRN O=C(NCc1coc(-c2cccs2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000048310771 822653019 /nfs/dbraw/zinc/65/30/19/822653019.db2.gz VGSPAQPRDHFUFF-UHFFFAOYSA-N 0 0 382.489 4.003 20 10 GICDRN Cc1cc(C)n(CCCNC(=O)Nc2c(C)cc(Br)cc2C)n1 ZINC000048467291 822664922 /nfs/dbraw/zinc/66/49/22/822664922.db2.gz BEJJGQATSUUAGS-UHFFFAOYSA-N 0 0 379.302 4.091 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cncc(Br)c1 ZINC000184750571 822685825 /nfs/dbraw/zinc/68/58/25/822685825.db2.gz IXYFBQWDELLBJF-LFYBBSHMSA-N 0 0 388.290 4.177 20 10 GICDRN COc1ccc(CCCN(C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000050147130 822720297 /nfs/dbraw/zinc/72/02/97/822720297.db2.gz YNVIDZCZOVAOSE-UHFFFAOYSA-N 0 0 381.520 4.070 20 10 GICDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000185042007 822728408 /nfs/dbraw/zinc/72/84/08/822728408.db2.gz NIIMZOZHEPUYIO-WYMLVPIESA-N 0 0 384.442 4.151 20 10 GICDRN C[C@@H](c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1)C(F)(F)F ZINC000455852659 822737214 /nfs/dbraw/zinc/73/72/14/822737214.db2.gz TWBFQAZYOKTUTF-ZDUSSCGKSA-N 0 0 378.394 4.458 20 10 GICDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000174292014 822764563 /nfs/dbraw/zinc/76/45/63/822764563.db2.gz DQGVGNQGVHTNMZ-GGAORHGYSA-N 0 0 395.547 4.370 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc4c3OCC[C@H]4O)c2C)cc1 ZINC000185356735 822770684 /nfs/dbraw/zinc/77/06/84/822770684.db2.gz BKLWQSXURXGGIM-OAQYLSRUSA-N 0 0 392.455 4.171 20 10 GICDRN CC(C)Cc1ccc(C(=O)CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000185389764 822777251 /nfs/dbraw/zinc/77/72/51/822777251.db2.gz OMMJPEOKHZCRCD-INIZCTEOSA-N 0 0 383.488 4.007 20 10 GICDRN C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185593618 822800242 /nfs/dbraw/zinc/80/02/42/822800242.db2.gz DBIIBMUDDOEQMH-IVZQSRNASA-N 0 0 399.487 4.375 20 10 GICDRN CCN(CC)c1ccc(CN[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174657193 822819272 /nfs/dbraw/zinc/81/92/72/822819272.db2.gz RIEQFXYQOZUOLB-MRXNPFEDSA-N 0 0 380.492 4.442 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnc(-c2ccccc2)nc1 ZINC000053105561 822821923 /nfs/dbraw/zinc/82/19/23/822821923.db2.gz DQBHLSGPCSMMMD-YVLHZVERSA-N 0 0 386.480 4.476 20 10 GICDRN O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1CCc1ccccn1 ZINC000174912186 822854741 /nfs/dbraw/zinc/85/47/41/822854741.db2.gz FFVQKWQPZDTKGH-QGOAFFKASA-N 0 0 377.494 4.074 20 10 GICDRN CC(C)[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000054000769 822856516 /nfs/dbraw/zinc/85/65/16/822856516.db2.gz CAFKUSMKWFNJGC-IFMALSPDSA-N 0 0 382.504 4.480 20 10 GICDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(-c2nc(C3CC3)no2)c1 ZINC000175071035 822877411 /nfs/dbraw/zinc/87/74/11/822877411.db2.gz WAMQMTCSURVTOT-UHFFFAOYSA-N 0 0 391.475 4.310 20 10 GICDRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000054486434 822890282 /nfs/dbraw/zinc/89/02/82/822890282.db2.gz XBNLHGHJCANVFZ-AQTBWJFISA-N 0 0 382.510 4.089 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCCCCC1 ZINC000054549229 822894825 /nfs/dbraw/zinc/89/48/25/822894825.db2.gz XFQNRIZRXWYXIE-IBGZPJMESA-N 0 0 399.560 4.224 20 10 GICDRN C[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000054549219 822894911 /nfs/dbraw/zinc/89/49/11/822894911.db2.gz XZTMZGFOLMCGJQ-IEBWSBKVSA-N 0 0 399.560 4.222 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054567221 822895896 /nfs/dbraw/zinc/89/58/96/822895896.db2.gz DRJDQPNHKPCQLD-QHCPKHFHSA-N 0 0 393.531 4.178 20 10 GICDRN Cc1cccc(C)c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC000175191698 822901240 /nfs/dbraw/zinc/90/12/40/822901240.db2.gz KUTHXNKDXRNJOC-UHFFFAOYSA-N 0 0 387.483 4.048 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000186492712 822904418 /nfs/dbraw/zinc/90/44/18/822904418.db2.gz HGGBGUYEBQZKCM-HZPDHXFCSA-N 0 0 376.522 4.092 20 10 GICDRN CC(=O)N(c1ccc(NC(=O)NCc2c(C)c3ccccc3n2C)cc1)C1CC1 ZINC000569312009 822905904 /nfs/dbraw/zinc/90/59/04/822905904.db2.gz XBAVZJOADRACTR-UHFFFAOYSA-N 0 0 390.487 4.324 20 10 GICDRN COc1cc(Br)cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O ZINC000054682678 822906002 /nfs/dbraw/zinc/90/60/02/822906002.db2.gz ALUFTVCDQRTBHA-HNNXBMFYSA-N 0 0 397.656 4.013 20 10 GICDRN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc(Br)cc(F)c1O ZINC000186521309 822907872 /nfs/dbraw/zinc/90/78/72/822907872.db2.gz DCIQCHKJEWNIQK-VIFPVBQESA-N 0 0 394.244 4.444 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000054786537 822913216 /nfs/dbraw/zinc/91/32/16/822913216.db2.gz MQRFTJALDCXRQD-SFHVURJKSA-N 0 0 389.499 4.237 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)cc1F ZINC000186599895 822921105 /nfs/dbraw/zinc/92/11/05/822921105.db2.gz BDWJSBRTZQKYEP-UHFFFAOYSA-N 0 0 396.441 4.198 20 10 GICDRN CCN(Cc1csc([C@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285532 822924446 /nfs/dbraw/zinc/92/44/46/822924446.db2.gz DWIWPCZSWIQZQA-NSHDSACASA-N 0 0 385.327 4.341 20 10 GICDRN Cc1csc([C@@H](C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000186802803 822958036 /nfs/dbraw/zinc/95/80/36/822958036.db2.gz QGCXKDVGOHIVNO-AWEZNQCLSA-N 0 0 385.489 4.266 20 10 GICDRN CC(C)Sc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055524611 822974214 /nfs/dbraw/zinc/97/42/14/822974214.db2.gz YFQIIVQQVAPKFG-UHFFFAOYSA-N 0 0 388.508 4.093 20 10 GICDRN O=C(NCCCSc1nccs1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000186903507 822977204 /nfs/dbraw/zinc/97/72/04/822977204.db2.gz KUSUXDXUFRNIHM-UHFFFAOYSA-N 0 0 386.464 4.492 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000186921258 822980420 /nfs/dbraw/zinc/98/04/20/822980420.db2.gz HLAGWZCITZKBGW-IBGZPJMESA-N 0 0 389.421 4.208 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000175594491 823003861 /nfs/dbraw/zinc/00/38/61/823003861.db2.gz IXDHXDYVYLUQSJ-UHFFFAOYSA-N 0 0 376.428 4.001 20 10 GICDRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187088300 823009012 /nfs/dbraw/zinc/00/90/12/823009012.db2.gz OVONMSIPCWDLSF-OAHLLOKOSA-N 0 0 379.460 4.048 20 10 GICDRN CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C12CCC2 ZINC000175665585 823015869 /nfs/dbraw/zinc/01/58/69/823015869.db2.gz NJYOVKRKUGKGSH-WOJBJXKFSA-N 0 0 384.476 4.045 20 10 GICDRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S ZINC000123908230 823550825 /nfs/dbraw/zinc/55/08/25/823550825.db2.gz FVTYVXZPWAKLCF-ATVHPVEESA-N 0 0 381.526 4.396 20 10 GICDRN [O-]c1c(Br)cccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000123909271 823551046 /nfs/dbraw/zinc/55/10/46/823551046.db2.gz MSJVNNYEXLHYAJ-UHFFFAOYSA-N 0 0 386.293 4.411 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccsc3-n3c(C)ccc3C)CC2)cc1 ZINC000060775022 823556545 /nfs/dbraw/zinc/55/65/45/823556545.db2.gz WROCRCWXFURSMS-UHFFFAOYSA-N 0 0 395.528 4.127 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)cc1 ZINC000061047876 823575422 /nfs/dbraw/zinc/57/54/22/823575422.db2.gz QVXPIIQYMSRBSL-UHFFFAOYSA-N 0 0 389.499 4.329 20 10 GICDRN CCC(CC)n1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000124574772 823607857 /nfs/dbraw/zinc/60/78/57/823607857.db2.gz MMSIWMOQPFZWQX-OAQYLSRUSA-N 0 0 398.551 4.132 20 10 GICDRN Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000124657439 823614802 /nfs/dbraw/zinc/61/48/02/823614802.db2.gz OREAQZDLCVROHU-PMACEKPBSA-N 0 0 395.547 4.165 20 10 GICDRN Cc1ccc(OC(F)F)c(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000124678121 823616704 /nfs/dbraw/zinc/61/67/04/823616704.db2.gz PGXILEVKZZHNLY-UHFFFAOYSA-N 0 0 377.435 4.004 20 10 GICDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OCC(F)(F)F)c1 ZINC000190952526 823629618 /nfs/dbraw/zinc/62/96/18/823629618.db2.gz GENPWZIKSAPJIF-LBPRGKRZSA-N 0 0 398.381 4.100 20 10 GICDRN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125329120 823668292 /nfs/dbraw/zinc/66/82/92/823668292.db2.gz OYKFXHRBKAMCHV-VQTJNVASSA-N 0 0 377.440 4.326 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2ccccc2SC(F)F)cc1OC ZINC000063616912 823683459 /nfs/dbraw/zinc/68/34/59/823683459.db2.gz KICBSHWMLBAWAN-UHFFFAOYSA-N 0 0 382.432 4.093 20 10 GICDRN CC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000125855076 823729613 /nfs/dbraw/zinc/72/96/13/823729613.db2.gz COTMNOADRDHZCS-QFIPXVFZSA-N 0 0 397.519 4.077 20 10 GICDRN CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2ncc(C(C)(C)C)s2)cc1 ZINC000164044962 823773135 /nfs/dbraw/zinc/77/31/35/823773135.db2.gz PEZSEGGZYOPGHM-CYBMUJFWSA-N 0 0 390.574 4.483 20 10 GICDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000164094250 823777337 /nfs/dbraw/zinc/77/73/37/823777337.db2.gz BSDBVUXUEBLLNS-LLVKDONJSA-N 0 0 398.575 4.176 20 10 GICDRN CC(=O)NCCc1ccc(C(=O)CSc2ncc(C(C)(C)C)s2)s1 ZINC000164205732 823785890 /nfs/dbraw/zinc/78/58/90/823785890.db2.gz OQIKZLAPFFBQRC-UHFFFAOYSA-N 0 0 382.576 4.156 20 10 GICDRN CC(C)OC1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000126120271 823793277 /nfs/dbraw/zinc/79/32/77/823793277.db2.gz XXCWNAHPHSLGJR-UHFFFAOYSA-N 0 0 387.568 4.458 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000170732157 823957124 /nfs/dbraw/zinc/95/71/24/823957124.db2.gz QAUDHCWMXHGMIO-UHFFFAOYSA-N 0 0 398.503 4.469 20 10 GICDRN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)nc1 ZINC000170738358 823957939 /nfs/dbraw/zinc/95/79/39/823957939.db2.gz IEYIWCGQOKRGPB-YCRREMRBSA-N 0 0 383.863 4.111 20 10 GICDRN CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1 ZINC000170811166 823977501 /nfs/dbraw/zinc/97/75/01/823977501.db2.gz VLSJJZRPVRBREU-XMHGGMMESA-N 0 0 397.569 4.372 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1F ZINC000170811085 823977537 /nfs/dbraw/zinc/97/75/37/823977537.db2.gz QCMGQYILSCAUCL-XNTDXEJSSA-N 0 0 379.503 4.340 20 10 GICDRN CC(=O)OCCCc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000192429930 823990581 /nfs/dbraw/zinc/99/05/81/823990581.db2.gz PQGMZZLQRDVZSR-UHFFFAOYSA-N 0 0 395.503 4.104 20 10 GICDRN CC(C)(C)c1csc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000170927380 824006784 /nfs/dbraw/zinc/00/67/84/824006784.db2.gz WOEBRNALIGALGU-UHFFFAOYSA-N 0 0 386.565 4.083 20 10 GICDRN COc1ccccc1CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000170994476 824030786 /nfs/dbraw/zinc/03/07/86/824030786.db2.gz UNZPOGBCKHDSNL-UHFFFAOYSA-N 0 0 381.520 4.273 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)cc1 ZINC000192582850 824038015 /nfs/dbraw/zinc/03/80/15/824038015.db2.gz SJMYQVQXKWPBES-UHFFFAOYSA-N 0 0 389.883 4.020 20 10 GICDRN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000006846103 204214808 /nfs/dbraw/zinc/21/48/08/204214808.db2.gz VKSQTPJKHVMMEK-GZTJUZNOSA-N 0 0 393.493 4.037 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000187371362 823051325 /nfs/dbraw/zinc/05/13/25/823051325.db2.gz RIBMRUPDQQMBLB-UHFFFAOYSA-N 0 0 397.475 4.079 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccc(OC)cc1 ZINC000175845187 823053475 /nfs/dbraw/zinc/05/34/75/823053475.db2.gz ZDYGWCZZZHKQJJ-UHFFFAOYSA-N 0 0 392.293 4.145 20 10 GICDRN Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1cccc(C(C)C)c1 ZINC000120792810 823065260 /nfs/dbraw/zinc/06/52/60/823065260.db2.gz WWKFVBGCGBLLQU-QFIPXVFZSA-N 0 0 377.488 4.076 20 10 GICDRN Cn1cc([C@@H](NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2)cn1 ZINC000187521856 823080531 /nfs/dbraw/zinc/08/05/31/823080531.db2.gz FFQGBLRWKYWHDG-QHCPKHFHSA-N 0 0 378.495 4.429 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1Br ZINC000175972713 823085575 /nfs/dbraw/zinc/08/55/75/823085575.db2.gz SSFURMVDVSSKRF-UHFFFAOYSA-N 0 0 377.257 4.118 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1NCc1cccnc1 ZINC000176188905 823148427 /nfs/dbraw/zinc/14/84/27/823148427.db2.gz NGJSESDMPYLFEU-UHFFFAOYSA-N 0 0 387.483 4.208 20 10 GICDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000121310524 823160695 /nfs/dbraw/zinc/16/06/95/823160695.db2.gz BGZDHMPLDJKWDB-UHFFFAOYSA-N 0 0 381.303 4.168 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 ZINC000056548790 823166668 /nfs/dbraw/zinc/16/66/68/823166668.db2.gz FHGPANPYRPPOOE-UHFFFAOYSA-N 0 0 396.516 4.358 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000176328743 823183095 /nfs/dbraw/zinc/18/30/95/823183095.db2.gz OJMHUAQJFCRDAV-LJQANCHMSA-N 0 0 392.547 4.447 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000121539653 823202463 /nfs/dbraw/zinc/20/24/63/823202463.db2.gz RHFKSPIJCMPVRY-UHFFFAOYSA-N 0 0 384.505 4.201 20 10 GICDRN CC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000188349896 823223909 /nfs/dbraw/zinc/22/39/09/823223909.db2.gz ADFSSZMNOIXXSG-UHFFFAOYSA-N 0 0 379.504 4.120 20 10 GICDRN C[C@@H](c1ccco1)N(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000121665812 823225811 /nfs/dbraw/zinc/22/58/11/823225811.db2.gz FZWXDZVKUSNXIH-INIZCTEOSA-N 0 0 385.533 4.268 20 10 GICDRN COc1ccc(N(C)Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1F ZINC000121703969 823233870 /nfs/dbraw/zinc/23/38/70/823233870.db2.gz WNNQIWATXLIJQC-UHFFFAOYSA-N 0 0 399.491 4.417 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000001160011 817374710 /nfs/dbraw/zinc/37/47/10/817374710.db2.gz RXSMPYPGIJXNFX-CXUHLZMHSA-N 0 0 375.446 4.249 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000121901516 823273116 /nfs/dbraw/zinc/27/31/16/823273116.db2.gz BNYDLXNKHZNDIG-MEJUDOHFSA-N 0 0 399.922 4.022 20 10 GICDRN CNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)s1 ZINC000007102002 817759489 /nfs/dbraw/zinc/75/94/89/817759489.db2.gz SBGQTKMDIYKZMO-UHFFFAOYSA-N 0 0 376.482 4.101 20 10 GICDRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000007155225 817774007 /nfs/dbraw/zinc/77/40/07/817774007.db2.gz IUVRTFGDKDXYNQ-YVLHZVERSA-N 0 0 395.484 4.476 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000007181514 817784336 /nfs/dbraw/zinc/78/43/36/817784336.db2.gz CTGRJSQJQJELRJ-UHFFFAOYSA-N 0 0 380.419 4.057 20 10 GICDRN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)ccc1OC(F)F ZINC000007209235 817794531 /nfs/dbraw/zinc/79/45/31/817794531.db2.gz OEIWDLQMRRZOQM-GDNBJRDFSA-N 0 0 382.432 4.189 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000057512151 823306003 /nfs/dbraw/zinc/30/60/03/823306003.db2.gz OVCKVYWKPQZPIA-HXUWFJFHSA-N 0 0 377.488 4.055 20 10 GICDRN CC(=O)Nc1cccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000011085472 818051315 /nfs/dbraw/zinc/05/13/15/818051315.db2.gz UZGMZMAZGJOLDG-UHFFFAOYSA-N 0 0 375.472 4.025 20 10 GICDRN CCCCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011642837 818103563 /nfs/dbraw/zinc/10/35/63/818103563.db2.gz SCVDOUGPLSPPPK-GOSISDBHSA-N 0 0 387.549 4.128 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000018150574 818550983 /nfs/dbraw/zinc/55/09/83/818550983.db2.gz RBOXFFTVRDQCHY-UHFFFAOYSA-N 0 0 393.512 4.339 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(I)c1 ZINC000020497978 818624028 /nfs/dbraw/zinc/62/40/28/818624028.db2.gz GLKIWKJLSWDVGN-UHFFFAOYSA-N 0 0 392.240 4.144 20 10 GICDRN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020987520 818644418 /nfs/dbraw/zinc/64/44/18/818644418.db2.gz WVBDJFWEFWOTBH-BOPFTXTBSA-N 0 0 383.429 4.357 20 10 GICDRN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000021048744 818649447 /nfs/dbraw/zinc/64/94/47/818649447.db2.gz UIGCIOPDORSCIN-UHFFFAOYSA-N 0 0 395.434 4.453 20 10 GICDRN COc1ccc(N2CCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000058031690 823356425 /nfs/dbraw/zinc/35/64/25/823356425.db2.gz RNCVQAWUTCPOJJ-HNNXBMFYSA-N 0 0 398.894 4.282 20 10 GICDRN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000021674815 818724348 /nfs/dbraw/zinc/72/43/48/818724348.db2.gz JBFFXSXALJWNDJ-BOPFTXTBSA-N 0 0 383.429 4.357 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000122464937 823358305 /nfs/dbraw/zinc/35/83/05/823358305.db2.gz VJPSVGFWERFMBW-OAQYLSRUSA-N 0 0 399.535 4.426 20 10 GICDRN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000022347808 818795163 /nfs/dbraw/zinc/79/51/63/818795163.db2.gz XAACMJCGPYPNAS-UYRXBGFRSA-N 0 0 380.517 4.004 20 10 GICDRN c1coc(COCc2cccc(NCc3ccc(N4CCOCC4)cc3)c2)c1 ZINC000122655399 823388992 /nfs/dbraw/zinc/38/89/92/823388992.db2.gz NKEFBHUOUWJFMU-UHFFFAOYSA-N 0 0 378.472 4.445 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1F ZINC000189447676 823419084 /nfs/dbraw/zinc/41/90/84/823419084.db2.gz JUJYZPHGKICKAD-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058624715 823418889 /nfs/dbraw/zinc/41/88/89/823418889.db2.gz YOVBGQVGUWFNLQ-UHFFFAOYSA-N 0 0 392.503 4.048 20 10 GICDRN COCCc1ccccc1NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000189514536 823434999 /nfs/dbraw/zinc/43/49/99/823434999.db2.gz DDOVVDKYTFSRBN-UHFFFAOYSA-N 0 0 381.520 4.434 20 10 GICDRN Cc1sc2[nH]c(CN(Cc3ccco3)Cc3ccccc3O)nc(=O)c2c1C ZINC000123028057 823450200 /nfs/dbraw/zinc/45/02/00/823450200.db2.gz JYIOCQFHCFVCJY-UHFFFAOYSA-N 0 0 395.484 4.102 20 10 GICDRN Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000026987654 820174889 /nfs/dbraw/zinc/17/48/89/820174889.db2.gz YSUDLHGNXSBLIY-UHFFFAOYSA-N 0 0 391.446 4.378 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1C ZINC000027223854 820212114 /nfs/dbraw/zinc/21/21/14/820212114.db2.gz QFTRQTGXYJOJAL-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC000028495639 820340279 /nfs/dbraw/zinc/34/02/79/820340279.db2.gz ZCPIJYWIDVJNTE-UHFFFAOYSA-N 0 0 390.458 4.395 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccccn1 ZINC000123238780 823483670 /nfs/dbraw/zinc/48/36/70/823483670.db2.gz XDNAJTAGLANDJK-HKUYNNGSSA-N 0 0 395.528 4.279 20 10 GICDRN Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000123359075 823501363 /nfs/dbraw/zinc/50/13/63/823501363.db2.gz ATBLLVOQHDGKPJ-KRWDZBQOSA-N 0 0 391.519 4.149 20 10 GICDRN O=[N+]([O-])c1ccc2oc(/C(Cl)=C/c3ccc(N4CCOCC4)cc3)nc2c1 ZINC000177617889 823502302 /nfs/dbraw/zinc/50/23/02/823502302.db2.gz LVXMRBAYMVQBNV-WJDWOHSUSA-N 0 0 385.807 4.310 20 10 GICDRN C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000060106144 823508618 /nfs/dbraw/zinc/50/86/18/823508618.db2.gz WGUNMQQXAFVRAN-INIZCTEOSA-N 0 0 393.512 4.138 20 10 GICDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC000060157370 823510377 /nfs/dbraw/zinc/51/03/77/823510377.db2.gz JYTLFANMVZWSHZ-UHFFFAOYSA-N 0 0 397.475 4.302 20 10 GICDRN Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000123457870 823510942 /nfs/dbraw/zinc/51/09/42/823510942.db2.gz OEGSZMAUENIQFZ-CVEARBPZSA-N 0 0 387.549 4.323 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 ZINC000031928616 820876165 /nfs/dbraw/zinc/87/61/65/820876165.db2.gz KMJAMMPIKRSAMZ-UHFFFAOYSA-N 0 0 375.428 4.303 20 10 GICDRN Cc1ccn(-c2ccccc2NC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000177686660 823513563 /nfs/dbraw/zinc/51/35/63/823513563.db2.gz DYJFGBPVXDZIJQ-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN Cc1cscc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000123510454 823515925 /nfs/dbraw/zinc/51/59/25/823515925.db2.gz MVYNHZXBRZDMAC-UHFFFAOYSA-N 0 0 399.438 4.234 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000036714485 821078220 /nfs/dbraw/zinc/07/82/20/821078220.db2.gz GUWZVQPVUBXWRL-UHFFFAOYSA-N 0 0 383.542 4.431 20 10 GICDRN Cn1ccc2cccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)c21 ZINC000190084694 823535609 /nfs/dbraw/zinc/53/56/09/823535609.db2.gz NSMDNHKHYJCNNO-GOSISDBHSA-N 0 0 379.460 4.097 20 10 GICDRN Cn1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c(C(F)F)n1 ZINC000460880122 823535137 /nfs/dbraw/zinc/53/51/37/823535137.db2.gz ZDPCZZRRLJNNIQ-TWGQIWQCSA-N 0 0 396.319 4.031 20 10 GICDRN COc1cc(N(C)Cc2ccccc2OCc2cccnc2)cc(OC)c1OC ZINC000180754862 821436209 /nfs/dbraw/zinc/43/62/09/821436209.db2.gz RLXUOPNBIQMEKF-UHFFFAOYSA-N 0 0 394.471 4.323 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000180762135 821440749 /nfs/dbraw/zinc/44/07/49/821440749.db2.gz YGQKQZZVFWPNOV-HBIYDYFMSA-N 0 0 378.428 4.045 20 10 GICDRN O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(OC(F)(F)F)c1 ZINC000181360463 821786468 /nfs/dbraw/zinc/78/64/68/821786468.db2.gz QUQJCLQTKICGKG-JYRVWZFOSA-N 0 0 382.388 4.386 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000181363345 821788566 /nfs/dbraw/zinc/78/85/66/821788566.db2.gz WKHBOXKYVFDCBN-CYBMUJFWSA-N 0 0 386.879 4.226 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(N(C)C)nc1 ZINC000181585665 821890743 /nfs/dbraw/zinc/89/07/43/821890743.db2.gz MWCGYMJJHOMUAV-KRWDZBQOSA-N 0 0 375.472 4.257 20 10 GICDRN Cc1ccc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(O)c1O ZINC000182125787 822105503 /nfs/dbraw/zinc/10/55/03/822105503.db2.gz MDGNQSFDBMHHIN-UHFFFAOYSA-N 0 0 393.487 4.281 20 10 GICDRN COc1ccc(O)c(CNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1 ZINC000182345543 822209506 /nfs/dbraw/zinc/20/95/06/822209506.db2.gz KMLKDRDNZPYRBT-UHFFFAOYSA-N 0 0 390.411 4.041 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000177975490 822265453 /nfs/dbraw/zinc/26/54/53/822265453.db2.gz KJOSCDHYPTZINA-LJQANCHMSA-N 0 0 383.492 4.022 20 10 GICDRN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(O)c(O)c3)c12 ZINC000182515036 822277387 /nfs/dbraw/zinc/27/73/87/822277387.db2.gz KHLBWEQPZHJAMX-UHFFFAOYSA-N 0 0 395.459 4.030 20 10 GICDRN CCOc1cc(/C=C/C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1O ZINC000182610711 822321773 /nfs/dbraw/zinc/32/17/73/822321773.db2.gz MGXJHTSWITZYHR-ZRDIBKRKSA-N 0 0 393.439 4.332 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000178107361 822322389 /nfs/dbraw/zinc/32/23/89/822322389.db2.gz ODEUTKANAKVPQC-MRXNPFEDSA-N 0 0 393.491 4.143 20 10 GICDRN CCn1cc(N2C(=O)/C(=C\c3cnc(C4CCCC4)s3)SC2=S)cn1 ZINC000178294089 822364311 /nfs/dbraw/zinc/36/43/11/822364311.db2.gz DERAKJIUTPXCMB-VGOFMYFVSA-N 0 0 390.559 4.423 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccc(-c2ccccn2)c1 ZINC000178724244 822405736 /nfs/dbraw/zinc/40/57/36/822405736.db2.gz RWMMJKCXOJEUGN-UHFFFAOYSA-N 0 0 386.499 4.348 20 10 GICDRN O=C(/C=C/c1ccc(Cl)s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179119715 822440294 /nfs/dbraw/zinc/44/02/94/822440294.db2.gz JFTQLLQNLHPUHB-TUPIDYKKSA-N 0 0 377.893 4.328 20 10 GICDRN Cc1coc(-c2ccc(C)c(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1 ZINC000183219566 822443416 /nfs/dbraw/zinc/44/34/16/822443416.db2.gz WFNWQGJPEKZIRW-UHFFFAOYSA-N 0 0 392.459 4.455 20 10 GICDRN Cc1ccc(-n2ncc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2C(C)C)cc1 ZINC000183447463 822476286 /nfs/dbraw/zinc/47/62/86/822476286.db2.gz MXONDKJYECZMGN-MRXNPFEDSA-N 0 0 393.487 4.076 20 10 GICDRN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000179579432 822506343 /nfs/dbraw/zinc/50/63/43/822506343.db2.gz XAIZSTUGLFRWAX-HSZRJFAPSA-N 0 0 393.531 4.051 20 10 GICDRN CCCOCc1ccccc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046984056 822535261 /nfs/dbraw/zinc/53/52/61/822535261.db2.gz OCMPTPAJIUETRK-UHFFFAOYSA-N 0 0 381.520 4.213 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(Br)s1 ZINC000046995943 822536212 /nfs/dbraw/zinc/53/62/12/822536212.db2.gz PPMVIUOOTRWJTN-UHFFFAOYSA-N 0 0 396.354 4.308 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1cccc(F)c1 ZINC000047065405 822541727 /nfs/dbraw/zinc/54/17/27/822541727.db2.gz JVPCPGREMPFWAZ-UHFFFAOYSA-N 0 0 397.372 4.003 20 10 GICDRN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N2CCOCC2)c(F)c1 ZINC000179816266 822558735 /nfs/dbraw/zinc/55/87/35/822558735.db2.gz MKZRLBPUGCYFAK-HNNXBMFYSA-N 0 0 383.467 4.110 20 10 GICDRN CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000179855645 822567071 /nfs/dbraw/zinc/56/70/71/822567071.db2.gz VOONYKAUBHYKPM-UHFFFAOYSA-N 0 0 386.565 4.036 20 10 GICDRN COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC ZINC000047335926 822567938 /nfs/dbraw/zinc/56/79/38/822567938.db2.gz QCQNOQBZJFVSHD-UHFFFAOYSA-N 0 0 382.416 4.237 20 10 GICDRN COC(=O)c1ccc(F)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047525897 822587317 /nfs/dbraw/zinc/58/73/17/822587317.db2.gz NDIZZUZAFXKVJX-UHFFFAOYSA-N 0 0 398.390 4.145 20 10 GICDRN C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000179969006 822587617 /nfs/dbraw/zinc/58/76/17/822587617.db2.gz BKNPQJFTGFAPPT-INIZCTEOSA-N 0 0 385.483 4.243 20 10 GICDRN CC(C)Cn1ncnc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000180024001 822599190 /nfs/dbraw/zinc/59/91/90/822599190.db2.gz NTAQQRVHTAZICE-GOSISDBHSA-N 0 0 397.548 4.269 20 10 GICDRN Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000180027953 822600195 /nfs/dbraw/zinc/60/01/95/822600195.db2.gz YDEJBAVVHULATH-MRXNPFEDSA-N 0 0 399.466 4.100 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(OC(F)F)c(F)c1 ZINC000047714456 822602563 /nfs/dbraw/zinc/60/25/63/822602563.db2.gz RXSUTQHQYKSWDQ-UHFFFAOYSA-N 0 0 379.382 4.349 20 10 GICDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000048101387 822632712 /nfs/dbraw/zinc/63/27/12/822632712.db2.gz PKHFRTSTOGLBFR-KRWDZBQOSA-N 0 0 394.519 4.089 20 10 GICDRN COc1ccc(N2CCCN(C(=O)NCc3ccc(C(F)F)cc3)CC2)cc1 ZINC000184449006 822637201 /nfs/dbraw/zinc/63/72/01/822637201.db2.gz BZQVJSKWRSIEAQ-UHFFFAOYSA-N 0 0 389.446 4.055 20 10 GICDRN Cn1cnc(-c2ccc(C(=O)Nc3cccc(N4CCCCCC4)c3)cc2)n1 ZINC000180247545 822647708 /nfs/dbraw/zinc/64/77/08/822647708.db2.gz WEGBASLQTYCJCD-UHFFFAOYSA-N 0 0 375.476 4.115 20 10 GICDRN CCN(CC)c1ncc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)s1 ZINC000048288863 822651822 /nfs/dbraw/zinc/65/18/22/822651822.db2.gz BUMDYEDYASOXNZ-LCYFTJDESA-N 0 0 386.546 4.322 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccccc3CSC)CC2)cc1 ZINC000184800320 822692497 /nfs/dbraw/zinc/69/24/97/822692497.db2.gz LFSFLTBALFHBTG-UHFFFAOYSA-N 0 0 385.533 4.349 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000184804155 822693175 /nfs/dbraw/zinc/69/31/75/822693175.db2.gz ALLHGEBXOGSIHY-UHFFFAOYSA-N 0 0 391.519 4.169 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000049280523 822696597 /nfs/dbraw/zinc/69/65/97/822696597.db2.gz BSWPZIMREKKEMM-OAHLLOKOSA-N 0 0 389.446 4.449 20 10 GICDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184979952 822721054 /nfs/dbraw/zinc/72/10/54/822721054.db2.gz VYYLRBHCEAACHV-LLVKDONJSA-N 0 0 383.275 4.247 20 10 GICDRN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185063898 822731531 /nfs/dbraw/zinc/73/15/31/822731531.db2.gz YIIJUJNOABMSJS-LBPRGKRZSA-N 0 0 397.302 4.017 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000174304156 822767768 /nfs/dbraw/zinc/76/77/68/822767768.db2.gz CSHYXNCFTXSHJC-ZJBJCVSYSA-N 0 0 398.503 4.237 20 10 GICDRN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)on1 ZINC000051971168 822784130 /nfs/dbraw/zinc/78/41/30/822784130.db2.gz KBYFMHPJYVGPCX-UHFFFAOYSA-N 0 0 396.394 4.140 20 10 GICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000052426854 822798850 /nfs/dbraw/zinc/79/88/50/822798850.db2.gz HJSZZQJQLLAHDG-UHFFFAOYSA-N 0 0 381.354 4.062 20 10 GICDRN CCc1cc2c(ncnc2NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000052446686 822800027 /nfs/dbraw/zinc/80/00/27/822800027.db2.gz CGKCLEPSJYJABQ-UHFFFAOYSA-N 0 0 382.533 4.075 20 10 GICDRN O=C(Cc1csc(-c2cccs2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000174519639 822800051 /nfs/dbraw/zinc/80/00/51/822800051.db2.gz JGEZKFXNJPHWMT-UHFFFAOYSA-N 0 0 384.526 4.315 20 10 GICDRN Cc1oc2ccccc2c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000185593450 822800130 /nfs/dbraw/zinc/80/01/30/822800130.db2.gz WCVDHRROZCSINE-SFHVURJKSA-N 0 0 394.471 4.338 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000174595339 822809661 /nfs/dbraw/zinc/80/96/61/822809661.db2.gz BABLJQVEJGTLIN-UHFFFAOYSA-N 0 0 395.503 4.462 20 10 GICDRN Cc1cc(CSc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)on1 ZINC000052753973 822809697 /nfs/dbraw/zinc/80/96/97/822809697.db2.gz DLAUWHPTFQMVGO-UHFFFAOYSA-N 0 0 381.501 4.271 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC000174606874 822811674 /nfs/dbraw/zinc/81/16/74/822811674.db2.gz MMLSHVFIKSIKEO-VGOFRKELSA-N 0 0 379.504 4.067 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H](c1nccs1)c1ccccc1 ZINC000174724117 822828760 /nfs/dbraw/zinc/82/87/60/822828760.db2.gz SGDWCLCBYSZDEN-HXUWFJFHSA-N 0 0 393.512 4.316 20 10 GICDRN COCCN(Cc1ncc(-c2ccccc2F)o1)c1ccc(OC)c(OC)c1 ZINC000174799250 822838749 /nfs/dbraw/zinc/83/87/49/822838749.db2.gz ZTAZEWLTGCVDHH-UHFFFAOYSA-N 0 0 386.423 4.151 20 10 GICDRN COCCN(Cc1nc(-c2cccs2)oc1C)c1ccc(OC)c(OC)c1 ZINC000174799944 822838824 /nfs/dbraw/zinc/83/88/24/822838824.db2.gz BYURCEZZEZZDQV-UHFFFAOYSA-N 0 0 388.489 4.382 20 10 GICDRN O=C(Nc1cnn(CC(F)F)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000174835870 822843912 /nfs/dbraw/zinc/84/39/12/822843912.db2.gz RCSYXYYAXFXEII-UHFFFAOYSA-N 0 0 378.423 4.221 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(F)c(F)cc1Cl ZINC000054035460 822860207 /nfs/dbraw/zinc/86/02/07/822860207.db2.gz BHXJIGUNOQMMHW-UHFFFAOYSA-N 0 0 382.863 4.101 20 10 GICDRN COc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)ccc1OC(C)C ZINC000186252178 822865150 /nfs/dbraw/zinc/86/51/50/822865150.db2.gz XNVDPVFCZBCZCS-UHFFFAOYSA-N 0 0 383.492 4.404 20 10 GICDRN COc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OC(C)C ZINC000186253346 822865342 /nfs/dbraw/zinc/86/53/42/822865342.db2.gz UVAJAFKRBCDEGR-UHFFFAOYSA-N 0 0 375.444 4.009 20 10 GICDRN C[C@H](NCc1ccc2c(c1)CCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176344 822866224 /nfs/dbraw/zinc/86/62/24/822866224.db2.gz CZUUKCVZYKMLQA-LBPRGKRZSA-N 0 0 390.277 4.006 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3[nH]ccc32)cc1 ZINC000175079228 822878651 /nfs/dbraw/zinc/87/86/51/822878651.db2.gz NIXGKJAZQAOMEO-LJQANCHMSA-N 0 0 377.488 4.055 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000175084923 822879584 /nfs/dbraw/zinc/87/95/84/822879584.db2.gz OMOWFRXYDJCYFN-UHFFFAOYSA-N 0 0 394.519 4.169 20 10 GICDRN COc1cc(Br)cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O ZINC000054430433 822884737 /nfs/dbraw/zinc/88/47/37/822884737.db2.gz JFHVTOBTAMULPM-HNNXBMFYSA-N 0 0 397.656 4.013 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000186407766 822889703 /nfs/dbraw/zinc/88/97/03/822889703.db2.gz SMKXADHXXRVKAX-HNNXBMFYSA-N 0 0 388.423 4.123 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000186413183 822890495 /nfs/dbraw/zinc/89/04/95/822890495.db2.gz AEAOTGURYKITGZ-ZDUSSCGKSA-N 0 0 383.394 4.404 20 10 GICDRN COCCn1c(C)cc(/C=C2\SC(=S)N(Cc3cccs3)C2=O)c1C ZINC000054499523 822891030 /nfs/dbraw/zinc/89/10/30/822891030.db2.gz UUUWCJBVWGENQB-YBEGLDIGSA-N 0 0 392.571 4.214 20 10 GICDRN CC(C)COc1ccc(C(C)(C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186430390 822893812 /nfs/dbraw/zinc/89/38/12/822893812.db2.gz VZZMOBBABQBUOZ-MRXNPFEDSA-N 0 0 385.504 4.158 20 10 GICDRN COc1cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1C ZINC000054782171 822912464 /nfs/dbraw/zinc/91/24/64/822912464.db2.gz YFZFQWPUJMOSLA-UHFFFAOYSA-N 0 0 381.520 4.336 20 10 GICDRN Cc1noc(CSc2ccccc2C(=O)N2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000175476613 822978166 /nfs/dbraw/zinc/97/81/66/822978166.db2.gz CXENERKSCJXNMS-RDJZCZTQSA-N 0 0 389.546 4.171 20 10 GICDRN COC[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(C)o1 ZINC000175486214 822980814 /nfs/dbraw/zinc/98/08/14/822980814.db2.gz JROUXGCALHDKFX-HXUWFJFHSA-N 0 0 385.508 4.011 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)nc1 ZINC000175503810 822985088 /nfs/dbraw/zinc/98/50/88/822985088.db2.gz XYPPXMIOZNOGSI-UHFFFAOYSA-N 0 0 384.661 4.257 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000187235292 823028908 /nfs/dbraw/zinc/02/89/08/823028908.db2.gz SDCDLAGYKWGPOU-MLGOLLRUSA-N 0 0 382.382 4.107 20 10 GICDRN Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2O)cnn1CCC(C)C ZINC000123848973 823545422 /nfs/dbraw/zinc/54/54/22/823545422.db2.gz FCUSXJUJVQDDAZ-UHFFFAOYSA-N 0 0 381.476 4.379 20 10 GICDRN Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000061196288 823583672 /nfs/dbraw/zinc/58/36/72/823583672.db2.gz UWOBGNMESKLYDH-AWEZNQCLSA-N 0 0 387.549 4.077 20 10 GICDRN O=C(Nc1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124430997 823596099 /nfs/dbraw/zinc/59/60/99/823596099.db2.gz JIDFDISMVKQNRB-OAHLLOKOSA-N 0 0 378.831 4.398 20 10 GICDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000124504081 823602028 /nfs/dbraw/zinc/60/20/28/823602028.db2.gz BZIGRRPAOJQGAN-HOTGVXAUSA-N 0 0 396.466 4.124 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(Cl)nc1C ZINC000124788217 823626310 /nfs/dbraw/zinc/62/63/10/823626310.db2.gz MEYOHFQYOXDOGV-UHFFFAOYSA-N 0 0 383.673 4.174 20 10 GICDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Br)ccc1Cl ZINC000062273974 823627241 /nfs/dbraw/zinc/62/72/41/823627241.db2.gz MGCVASLEOQJXFU-UHFFFAOYSA-N 0 0 395.684 4.191 20 10 GICDRN CC(C)c1noc(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000190957775 823630303 /nfs/dbraw/zinc/63/03/03/823630303.db2.gz WGLUIZDGWUUIEJ-ZDUSSCGKSA-N 0 0 396.447 4.024 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1c(F)cccc1F)C1CC1 ZINC000191117634 823650930 /nfs/dbraw/zinc/65/09/30/823650930.db2.gz PQQMGNBLYBTOMF-UHFFFAOYSA-N 0 0 385.458 4.439 20 10 GICDRN O=C(C1=Cc2cc(F)ccc2OC1)N(Cc1ccco1)Cc1ccccc1O ZINC000125186364 823657684 /nfs/dbraw/zinc/65/76/84/823657684.db2.gz UZTZELZZPXNZNU-UHFFFAOYSA-N 0 0 379.387 4.129 20 10 GICDRN Cn1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(-c2cccnc2)n1 ZINC000063276517 823659198 /nfs/dbraw/zinc/65/91/98/823659198.db2.gz NNRQVYPSXXBWHW-SXGWCWSVSA-N 0 0 396.472 4.027 20 10 GICDRN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1-c1ccccc1 ZINC000125295205 823665773 /nfs/dbraw/zinc/66/57/73/823665773.db2.gz MNPLUAGLPAXDSX-UHFFFAOYSA-N 0 0 387.439 4.322 20 10 GICDRN CCOCCOc1c(Cl)cccc1NC(=O)N(C)Cc1ccccc1O ZINC000063397654 823667685 /nfs/dbraw/zinc/66/76/85/823667685.db2.gz LCLDGIMPANUMHJ-UHFFFAOYSA-N 0 0 378.856 4.125 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)c3cccnc3)ccc21 ZINC000412888600 823688520 /nfs/dbraw/zinc/68/85/20/823688520.db2.gz XYIUVPCTNTZYKG-UHFFFAOYSA-N 0 0 379.504 4.007 20 10 GICDRN COc1cc(N(C)Cc2coc(-c3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC000125688332 823696779 /nfs/dbraw/zinc/69/67/79/823696779.db2.gz OTSCDXLBUIHXJQ-UHFFFAOYSA-N 0 0 390.386 4.282 20 10 GICDRN COc1cc(N(C)Cc2csc(Cc3ccccc3)n2)cc(OC)c1OC ZINC000125733350 823701699 /nfs/dbraw/zinc/70/16/99/823701699.db2.gz YKWOOBGZWZZXMY-UHFFFAOYSA-N 0 0 384.501 4.396 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000125774316 823707657 /nfs/dbraw/zinc/70/76/57/823707657.db2.gz DTBDWCNBUNAGOL-UHFFFAOYSA-N 0 0 394.496 4.498 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cc1F ZINC000191651875 823724649 /nfs/dbraw/zinc/72/46/49/823724649.db2.gz GQPLITOAUQFWGD-UHFFFAOYSA-N 0 0 393.510 4.413 20 10 GICDRN Cc1ccc(C(=O)N2CCSCC2)cc1NCc1c(O)cccc1Cl ZINC000126035630 823771080 /nfs/dbraw/zinc/77/10/80/823771080.db2.gz PEHYHJIIHVWENF-UHFFFAOYSA-N 0 0 376.909 4.155 20 10 GICDRN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nccs1)CCCC2 ZINC000064660345 823859364 /nfs/dbraw/zinc/85/93/64/823859364.db2.gz KWULRFJVPIXVBV-JTQLQIEISA-N 0 0 396.559 4.379 20 10 GICDRN CCCOc1ncccc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000064766279 823882712 /nfs/dbraw/zinc/88/27/12/823882712.db2.gz ONVCZHHJWMVMNN-UHFFFAOYSA-N 0 0 396.535 4.202 20 10 GICDRN O=C(CCc1cc(Cl)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000126717645 823934513 /nfs/dbraw/zinc/93/45/13/823934513.db2.gz GRPSZIGTJCVNIS-MRXNPFEDSA-N 0 0 379.909 4.248 20 10 GICDRN FC(F)n1ccnc1CN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000170724258 823953933 /nfs/dbraw/zinc/95/39/33/823953933.db2.gz BSFSYSJOQQKQEW-UHFFFAOYSA-N 0 0 377.416 4.318 20 10 GICDRN CCN(Cc1ccccc1)c1ccc(CNc2cc(C(=O)N(C)C)ccn2)cc1 ZINC000126952761 823988585 /nfs/dbraw/zinc/98/85/85/823988585.db2.gz BAUCYXOJFJGHSE-UHFFFAOYSA-N 0 0 388.515 4.422 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000055877514 823059006 /nfs/dbraw/zinc/05/90/06/823059006.db2.gz AZCHMNCRXDKZFT-UHFFFAOYSA-N 0 0 379.287 4.355 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000175867444 823059284 /nfs/dbraw/zinc/05/92/84/823059284.db2.gz JSCYDRHFKIFDGH-UHFFFAOYSA-N 0 0 382.504 4.059 20 10 GICDRN COc1cnccc1[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000187510584 823077927 /nfs/dbraw/zinc/07/79/27/823077927.db2.gz LTVCBDYGIUFHFF-INIZCTEOSA-N 0 0 383.492 4.401 20 10 GICDRN CCc1nnc(-c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2)o1 ZINC000176010259 823095271 /nfs/dbraw/zinc/09/52/71/823095271.db2.gz UTOSKRCTEDIGKJ-UHFFFAOYSA-N 0 0 391.475 4.003 20 10 GICDRN COc1cccc(-c2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)c1 ZINC000176022560 823098155 /nfs/dbraw/zinc/09/81/55/823098155.db2.gz CDYKKSYWLRIHLY-UHFFFAOYSA-N 0 0 376.456 4.409 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccccc1C(C)=O ZINC000120994233 823099061 /nfs/dbraw/zinc/09/90/61/823099061.db2.gz WACUMHYRFZXXCJ-UHFFFAOYSA-N 0 0 376.250 4.020 20 10 GICDRN C[C@H](CCc1cccn1C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176035812 823102398 /nfs/dbraw/zinc/10/23/98/823102398.db2.gz BJRGRIFCSQPKNJ-QGZVFWFLSA-N 0 0 381.476 4.057 20 10 GICDRN COc1ccc(F)cc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187921521 823158496 /nfs/dbraw/zinc/15/84/96/823158496.db2.gz IFHUQHXLFVBNAN-UHFFFAOYSA-N 0 0 385.483 4.166 20 10 GICDRN Cc1cc(C(=O)N2CCC(N3CCCCC3=O)CC2)c(C)n1-c1ccccc1C ZINC000121561153 823205881 /nfs/dbraw/zinc/20/58/81/823205881.db2.gz NLRKNQPPPVRSSA-UHFFFAOYSA-N 0 0 393.531 4.020 20 10 GICDRN C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000056769066 823210190 /nfs/dbraw/zinc/21/01/90/823210190.db2.gz IDTVTTNLVKWWLJ-GOSISDBHSA-N 0 0 381.520 4.155 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N(CCC(F)(F)F)CC3CC3)CC2)cc1 ZINC000176482433 823218387 /nfs/dbraw/zinc/21/83/87/823218387.db2.gz KXQKCBMXTWATKI-UHFFFAOYSA-N 0 0 399.457 4.038 20 10 GICDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1-c1ccccn1 ZINC000121704123 823233863 /nfs/dbraw/zinc/23/38/63/823233863.db2.gz MKFGOYKCIDJTPD-UHFFFAOYSA-N 0 0 375.472 4.095 20 10 GICDRN COCCn1nc(C)c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1C ZINC000176559421 823236899 /nfs/dbraw/zinc/23/68/99/823236899.db2.gz UOBUQDRSUVRDLL-UHFFFAOYSA-N 0 0 380.492 4.115 20 10 GICDRN COc1cccc(CNC(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)c1O ZINC000188449498 823242583 /nfs/dbraw/zinc/24/25/83/823242583.db2.gz ZKWSTMXIXBPFPK-UHFFFAOYSA-N 0 0 381.394 4.305 20 10 GICDRN CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)SC1=S ZINC000005127961 817552964 /nfs/dbraw/zinc/55/29/64/817552964.db2.gz UTTCTVZSXXPMNZ-LDADJPATSA-N 0 0 385.510 4.495 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC(F)(F)CC2)cc1 ZINC000121900468 823272826 /nfs/dbraw/zinc/27/28/26/823272826.db2.gz DLONJSNIFZOZRZ-LJQANCHMSA-N 0 0 380.479 4.086 20 10 GICDRN COc1ccc(N(C)Cc2nnc(-c3ccc(Br)o3)o2)cc1Cl ZINC000121906714 823274318 /nfs/dbraw/zinc/27/43/18/823274318.db2.gz XOBFVLNBCGAQPR-UHFFFAOYSA-N 0 0 398.644 4.391 20 10 GICDRN C[C@@H](SCC(=O)NCc1ccc2c(c1)CCCN2C)c1nc2ccccc2[nH]1 ZINC000121910203 823275329 /nfs/dbraw/zinc/27/53/29/823275329.db2.gz ZRDDCABNCCHXKN-OAHLLOKOSA-N 0 0 394.544 4.056 20 10 GICDRN Cc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(C)c1O ZINC000007209160 817794581 /nfs/dbraw/zinc/79/45/81/817794581.db2.gz WLEAHEMMGPVHQM-GZTJUZNOSA-N 0 0 384.526 4.481 20 10 GICDRN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000007219157 817796422 /nfs/dbraw/zinc/79/64/22/817796422.db2.gz QLZPOJMNWMMUCW-LBPRGKRZSA-N 0 0 398.309 4.166 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc2n(c1=S)CCCCC2 ZINC000007317279 817817480 /nfs/dbraw/zinc/81/74/80/817817480.db2.gz XETFRSUYVJLLOQ-UHFFFAOYSA-N 0 0 385.581 4.220 20 10 GICDRN CCc1ccccc1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007351801 817822512 /nfs/dbraw/zinc/82/25/12/817822512.db2.gz CZIFIDKXYYTXJN-UHFFFAOYSA-N 0 0 384.383 4.490 20 10 GICDRN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176810103 823298890 /nfs/dbraw/zinc/29/88/90/823298890.db2.gz PPJFDHVIZUWBIL-UWJYYQICSA-N 0 0 386.492 4.148 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010961782 818035080 /nfs/dbraw/zinc/03/50/80/818035080.db2.gz CMWUFYPJLKGITH-UHFFFAOYSA-N 0 0 391.515 4.076 20 10 GICDRN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)[nH]3)c2C)cc1 ZINC000011275511 818067944 /nfs/dbraw/zinc/06/79/44/818067944.db2.gz LZJCJESTJKIFDZ-UHFFFAOYSA-N 0 0 396.516 4.463 20 10 GICDRN O=S(=O)(c1cccc2nsnc21)N(Cc1ccccc1)c1ccccc1 ZINC000014223810 818229424 /nfs/dbraw/zinc/22/94/24/818229424.db2.gz NUIGIIZUKPETAB-UHFFFAOYSA-N 0 0 381.482 4.087 20 10 GICDRN COCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)o1 ZINC000016197601 818405624 /nfs/dbraw/zinc/40/56/24/818405624.db2.gz SKRIUYBCEHTFMR-UHFFFAOYSA-N 0 0 385.391 4.012 20 10 GICDRN COc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)O[C@@H](C)C2 ZINC000018902530 818579892 /nfs/dbraw/zinc/57/98/92/818579892.db2.gz WCQOUMVCSUQZSA-SJWFJVLYSA-N 0 0 383.494 4.424 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 ZINC000021391581 818683521 /nfs/dbraw/zinc/68/35/21/818683521.db2.gz WPLKOLYHULYDSL-UHFFFAOYSA-N 0 0 381.451 4.138 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000122464129 823358357 /nfs/dbraw/zinc/35/83/57/823358357.db2.gz WQHKYBGBRCDSAJ-NRFANRHFSA-N 0 0 381.545 4.287 20 10 GICDRN Cn1cccc1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000021728548 818731140 /nfs/dbraw/zinc/73/11/40/818731140.db2.gz JGZHGSFZGSWFQM-QGZVFWFLSA-N 0 0 381.501 4.043 20 10 GICDRN CC(C)[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000022426378 818805214 /nfs/dbraw/zinc/80/52/14/818805214.db2.gz UMJRIQDCFFUWJB-JOCHJYFZSA-N 0 0 381.520 4.062 20 10 GICDRN O=C(NCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C1CCCC1 ZINC000122568939 823374416 /nfs/dbraw/zinc/37/44/16/823374416.db2.gz YYDQTDJUNREZHN-IBGZPJMESA-N 0 0 399.560 4.128 20 10 GICDRN O=C(NCCCSc1nccs1)c1ccccc1NCc1cccnc1 ZINC000177161667 823387432 /nfs/dbraw/zinc/38/74/32/823387432.db2.gz WBVLCIOVSIIDAD-UHFFFAOYSA-N 0 0 384.530 4.062 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1c(F)cccc1F)c1ccc(N)cc1 ZINC000189447611 823419003 /nfs/dbraw/zinc/41/90/03/823419003.db2.gz RQUFXWFEWVSMJN-AWEZNQCLSA-N 0 0 395.409 4.280 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1C#N ZINC000189447188 823418761 /nfs/dbraw/zinc/41/87/61/823418761.db2.gz KZBNPUGPMMZYHC-KRWDZBQOSA-N 0 0 398.466 4.182 20 10 GICDRN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000177283453 823420689 /nfs/dbraw/zinc/42/06/89/823420689.db2.gz KJHUWCOEPFYMDQ-DEXQXJORSA-N 0 0 395.528 4.060 20 10 GICDRN c1ccc(OC[C@@H]2CCCCO2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000122837268 823420987 /nfs/dbraw/zinc/42/09/87/823420987.db2.gz RSXKVHYWMFLQSW-NRFANRHFSA-N 0 0 382.504 4.083 20 10 GICDRN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000024808679 819879342 /nfs/dbraw/zinc/87/93/42/819879342.db2.gz MPFKNGHOXZCONN-ZDUSSCGKSA-N 0 0 380.319 4.026 20 10 GICDRN Cc1noc(C)c1CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000122945253 823438187 /nfs/dbraw/zinc/43/81/87/823438187.db2.gz RUKUMIZBSCYENW-UHFFFAOYSA-N 0 0 380.286 4.425 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365059 823445779 /nfs/dbraw/zinc/44/57/79/823445779.db2.gz PWSXOOCPVXBYTJ-UOXLDJKESA-N 0 0 379.909 4.179 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nc(C)co4)c3)CC2)cc1 ZINC000177404386 823454257 /nfs/dbraw/zinc/45/42/57/823454257.db2.gz JUFAQQZNGIPWNQ-UHFFFAOYSA-N 0 0 392.459 4.013 20 10 GICDRN O=C(CSc1nc2ccccc2s1)NCc1ccc(N2CCCC2)cc1 ZINC000028046930 820308243 /nfs/dbraw/zinc/30/82/43/820308243.db2.gz LPSQPVNPSBHBNF-UHFFFAOYSA-N 0 0 383.542 4.305 20 10 GICDRN Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000028356272 820329213 /nfs/dbraw/zinc/32/92/13/820329213.db2.gz WVIHCEHPZQZCKK-MRXNPFEDSA-N 0 0 387.549 4.104 20 10 GICDRN COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1 ZINC000028975360 820378749 /nfs/dbraw/zinc/37/87/49/820378749.db2.gz CWRQINXWQWSAJB-CXUHLZMHSA-N 0 0 391.901 4.456 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(O)cc1 ZINC000029072748 820389541 /nfs/dbraw/zinc/38/95/41/820389541.db2.gz WGWFFXFDGJFDSS-LJQANCHMSA-N 0 0 394.496 4.410 20 10 GICDRN CCc1cnc(CN(C)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000177498553 823477113 /nfs/dbraw/zinc/47/71/13/823477113.db2.gz ATYSTXCPAKHFRA-UHFFFAOYSA-N 0 0 386.565 4.283 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000058975848 823478001 /nfs/dbraw/zinc/47/80/01/823478001.db2.gz RHKLRCBEELMXIV-UHFFFAOYSA-N 0 0 388.515 4.194 20 10 GICDRN O=C(NCc1csc(-c2ccco2)n1)NCc1ccc(N2CCCC2)cc1 ZINC000177801044 823527660 /nfs/dbraw/zinc/52/76/60/823527660.db2.gz NJLNRJFMMNPXQC-UHFFFAOYSA-N 0 0 382.489 4.003 20 10 GICDRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000033219983 821049830 /nfs/dbraw/zinc/04/98/30/821049830.db2.gz ONNOYXLRESTQMC-CYBMUJFWSA-N 0 0 381.303 4.485 20 10 GICDRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000033219984 821050176 /nfs/dbraw/zinc/05/01/76/821050176.db2.gz ONNOYXLRESTQMC-ZDUSSCGKSA-N 0 0 381.303 4.485 20 10 GICDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000177825451 823531649 /nfs/dbraw/zinc/53/16/49/823531649.db2.gz INNYQQKYXCVVRZ-UHFFFAOYSA-N 0 0 391.471 4.057 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000177849102 823535991 /nfs/dbraw/zinc/53/59/91/823535991.db2.gz YOLKOURQNQSJIV-OAQYLSRUSA-N 0 0 378.520 4.073 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C(=O)OC)c3F)ccc21 ZINC000411062359 823539975 /nfs/dbraw/zinc/53/99/75/823539975.db2.gz AYDAKYBYXMDWKS-UHFFFAOYSA-N 0 0 398.434 4.083 20 10 GICDRN COc1ccccc1CN(Cc1cccs1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180633599 821376076 /nfs/dbraw/zinc/37/60/76/821376076.db2.gz OXSQYDDVIZPEAO-PKNBQFBNSA-N 0 0 395.480 4.410 20 10 GICDRN COc1ccc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2)cc1 ZINC000180975372 821567473 /nfs/dbraw/zinc/56/74/73/821567473.db2.gz GQNRYUPNDCVYLS-ZPTXNZLVSA-N 0 0 393.414 4.165 20 10 GICDRN CCc1cc(=O)c2cc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)ccc2[nH]1 ZINC000180992734 821579847 /nfs/dbraw/zinc/57/98/47/821579847.db2.gz POQFLJZNFVZMIY-UHFFFAOYSA-N 0 0 386.455 4.145 20 10 GICDRN CCN(C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000181118735 821643999 /nfs/dbraw/zinc/64/39/99/821643999.db2.gz NCQWUFIPFDBXBE-VEGAHXMMSA-N 0 0 386.477 4.143 20 10 GICDRN O=C(CCc1ccc2[nH]ccc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181491637 821850494 /nfs/dbraw/zinc/85/04/94/821850494.db2.gz QORWBVNTPICADI-FQEVSTJZSA-N 0 0 378.472 4.014 20 10 GICDRN Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181578450 821886667 /nfs/dbraw/zinc/88/66/67/821886667.db2.gz BNUWAYGUULWTJT-SFHVURJKSA-N 0 0 391.515 4.465 20 10 GICDRN COCCOc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000182152609 822119534 /nfs/dbraw/zinc/11/95/34/822119534.db2.gz NAONBIKYGSOWQF-KRWDZBQOSA-N 0 0 388.483 4.169 20 10 GICDRN N#Cc1ccccc1Sc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182523107 822281947 /nfs/dbraw/zinc/28/19/47/822281947.db2.gz HKPUZUXWLHSLIM-UHFFFAOYSA-N 0 0 376.437 4.051 20 10 GICDRN C[C@H](CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nccs1 ZINC000182560324 822302941 /nfs/dbraw/zinc/30/29/41/822302941.db2.gz DMYWOYBNOWSOJQ-QGZVFWFLSA-N 0 0 386.565 4.325 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2csc(Cc3cccc(F)c3)n2)cc1 ZINC000182903964 822389720 /nfs/dbraw/zinc/38/97/20/822389720.db2.gz MYWRQMXRQLXQHK-UHFFFAOYSA-N 0 0 383.492 4.211 20 10 GICDRN CC(C)S(=O)(=O)CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000178557622 822391750 /nfs/dbraw/zinc/39/17/50/822391750.db2.gz NKVKCLCEEMMARC-UHFFFAOYSA-N 0 0 392.468 4.028 20 10 GICDRN CC(=O)c1c(C)oc2ncnc(Nc3nc(-c4ccc(O)c(O)c4)cs3)c21 ZINC000178867343 822417753 /nfs/dbraw/zinc/41/77/53/822417753.db2.gz AXFDHUZXJSFAOP-UHFFFAOYSA-N 0 0 382.401 4.012 20 10 GICDRN Oc1cccc([C@@H]2CN(Cc3ccc(OCc4ccccc4)cc3O)CCO2)c1 ZINC000183078976 822421823 /nfs/dbraw/zinc/42/18/23/822421823.db2.gz PJDGKMQWOKPZOB-DEOSSOPVSA-N 0 0 391.467 4.250 20 10 GICDRN CC(C)Cn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1C(F)F ZINC000178923402 822422145 /nfs/dbraw/zinc/42/21/45/822422145.db2.gz GFCMIJFNRLEDCK-UHFFFAOYSA-N 0 0 376.451 4.007 20 10 GICDRN Cc1coc(-c2cccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2)n1 ZINC000183215290 822442780 /nfs/dbraw/zinc/44/27/80/822442780.db2.gz RHMGBULIKHZXFM-UHFFFAOYSA-N 0 0 378.432 4.147 20 10 GICDRN Cc1coc(-c2cc(NC(=O)N3CCOc4cc(N(C)C)ccc43)ccc2C)n1 ZINC000183232002 822445133 /nfs/dbraw/zinc/44/51/33/822445133.db2.gz QEJVHZZJPWZUTB-UHFFFAOYSA-N 0 0 392.459 4.455 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000183482427 822483049 /nfs/dbraw/zinc/48/30/49/822483049.db2.gz QGUQSMHBSMTXML-INIZCTEOSA-N 0 0 377.440 4.038 20 10 GICDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179497090 822491138 /nfs/dbraw/zinc/49/11/38/822491138.db2.gz WOIZBINOUCWWJB-UHFFFAOYSA-N 0 0 385.489 4.237 20 10 GICDRN COc1cc(N(C)Cc2sc(C)nc2C(F)(F)F)cc(OC)c1OC ZINC000183589740 822498313 /nfs/dbraw/zinc/49/83/13/822498313.db2.gz OCFDGNRLJVYBCB-UHFFFAOYSA-N 0 0 376.400 4.133 20 10 GICDRN CCC(CC)[C@@H]1C[C@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000183756783 822523076 /nfs/dbraw/zinc/52/30/76/822523076.db2.gz LSLFYZVKMFENFC-CTNGQTDRSA-N 0 0 375.557 4.268 20 10 GICDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1Cl ZINC000047324749 822566278 /nfs/dbraw/zinc/56/62/78/822566278.db2.gz IEOXFPDZQYWBHN-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN CCCc1c(NC(=O)N(C)Cc2ccccc2O)cnn1-c1cccc(F)c1 ZINC000184520702 822649940 /nfs/dbraw/zinc/64/99/40/822649940.db2.gz BEFMNCVBIPDZJD-UHFFFAOYSA-N 0 0 382.439 4.333 20 10 GICDRN COc1cc(CN2CCN([C@@H](C)c3nccs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000184900706 822710075 /nfs/dbraw/zinc/71/00/75/822710075.db2.gz KMKJDMYITRTILN-HNNXBMFYSA-N 0 0 389.565 4.034 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3c(C)cccc3SC)CC2)cc1 ZINC000184976497 822720509 /nfs/dbraw/zinc/72/05/09/822720509.db2.gz SGQZOTGOMOWYLA-UHFFFAOYSA-N 0 0 385.533 4.470 20 10 GICDRN COc1c(F)cc(NC(=O)NCc2c(C)c3ccccc3n2C)c(OC)c1F ZINC000455827624 822732960 /nfs/dbraw/zinc/73/29/60/822732960.db2.gz OMSPAUSZSFCPSP-UHFFFAOYSA-N 0 0 389.402 4.104 20 10 GICDRN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185263671 822756613 /nfs/dbraw/zinc/75/66/13/822756613.db2.gz JLYVGKHHGJNURF-NSHDSACASA-N 0 0 388.316 4.094 20 10 GICDRN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185306401 822762819 /nfs/dbraw/zinc/76/28/19/822762819.db2.gz OZAOHJMFQBPMSR-HOTGVXAUSA-N 0 0 385.483 4.199 20 10 GICDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000174292313 822764581 /nfs/dbraw/zinc/76/45/81/822764581.db2.gz HWICJGTXWJIGMO-IFMALSPDSA-N 0 0 381.520 4.028 20 10 GICDRN CC(C)n1ncc2cc(C=CC(=O)N3CCC[C@H](C)c4ccccc43)c(=O)[nH]c21 ZINC000185486347 822789745 /nfs/dbraw/zinc/78/97/45/822789745.db2.gz XMDSUZMTZZOOHH-OFAQMXQXSA-N 0 0 390.487 4.249 20 10 GICDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(C2CCCCC2)no1 ZINC000174447693 822791048 /nfs/dbraw/zinc/79/10/48/822791048.db2.gz WIDDIZSMIJNPEZ-HNNXBMFYSA-N 0 0 397.523 4.060 20 10 GICDRN Cc1nnc(-c2cccc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c2)o1 ZINC000174472642 822794834 /nfs/dbraw/zinc/79/48/34/822794834.db2.gz HFGXJFWNHHOZRX-UHFFFAOYSA-N 0 0 390.487 4.308 20 10 GICDRN Oc1cc(OCc2ccccc2)ccc1CNc1cccc2c1OCC[C@@H]2O ZINC000185578411 822798633 /nfs/dbraw/zinc/79/86/33/822798633.db2.gz KSWYTQDUNNEOIN-NRFANRHFSA-N 0 0 377.440 4.399 20 10 GICDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000052446536 822800009 /nfs/dbraw/zinc/80/00/09/822800009.db2.gz PYHDZAIBANEJGQ-UHFFFAOYSA-N 0 0 375.856 4.069 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nc(C(C)(C)C)no1 ZINC000174801820 822839237 /nfs/dbraw/zinc/83/92/37/822839237.db2.gz QPAWEZBVVCLQRZ-MRXNPFEDSA-N 0 0 399.539 4.164 20 10 GICDRN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1O ZINC000186048784 822847212 /nfs/dbraw/zinc/84/72/12/822847212.db2.gz SSPCCDYAEAFMMV-CYBMUJFWSA-N 0 0 384.277 4.463 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000174870045 822848842 /nfs/dbraw/zinc/84/88/42/822848842.db2.gz DPOPMGIARRNXDQ-LBPRGKRZSA-N 0 0 393.281 4.153 20 10 GICDRN CC(C)(C)OCc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)no1 ZINC000186101457 822851947 /nfs/dbraw/zinc/85/19/47/822851947.db2.gz UIGLFRZCFRQQLX-UHFFFAOYSA-N 0 0 384.432 4.131 20 10 GICDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000186211345 822861208 /nfs/dbraw/zinc/86/12/08/822861208.db2.gz CAIJZJRKRLVEHE-TZIWHRDSSA-N 0 0 386.492 4.291 20 10 GICDRN CC(=O)N(C)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000174970921 822862791 /nfs/dbraw/zinc/86/27/91/822862791.db2.gz MNNXJJRESAYLAZ-UHFFFAOYSA-N 0 0 394.519 4.324 20 10 GICDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2cc(Br)ccc2O)c1 ZINC000186291264 822871865 /nfs/dbraw/zinc/87/18/65/822871865.db2.gz WRPQWUGOCCGGQV-NEPJUHHUSA-N 0 0 393.281 4.301 20 10 GICDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(Br)cc2O)c1 ZINC000186292086 822872038 /nfs/dbraw/zinc/87/20/38/822872038.db2.gz PBDDRRABKDSMOJ-NEPJUHHUSA-N 0 0 393.281 4.301 20 10 GICDRN COc1ccc(N[C@@H](C)c2ccc3ccccc3c2O)cc1NS(C)(=O)=O ZINC000186405155 822889045 /nfs/dbraw/zinc/88/90/45/822889045.db2.gz ADVFTRZAGMKXAT-ZDUSSCGKSA-N 0 0 386.473 4.099 20 10 GICDRN Cc1noc(C)c1C[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175154344 822893559 /nfs/dbraw/zinc/89/35/59/822893559.db2.gz IQQPGXFAMPWRMO-HNNXBMFYSA-N 0 0 385.508 4.473 20 10 GICDRN CC1CCN(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC000054549246 822894898 /nfs/dbraw/zinc/89/48/98/822894898.db2.gz DPHFGWPUPVNIHP-LJQANCHMSA-N 0 0 399.560 4.080 20 10 GICDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186435251 822895025 /nfs/dbraw/zinc/89/50/25/822895025.db2.gz HZUTVHYHIYVZQT-INIZCTEOSA-N 0 0 383.488 4.143 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)cc1 ZINC000186489108 822903631 /nfs/dbraw/zinc/90/36/31/822903631.db2.gz TXLRZILAHAEUEY-UHFFFAOYSA-N 0 0 378.451 4.059 20 10 GICDRN Cc1noc(C)c1C(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000186551814 822911865 /nfs/dbraw/zinc/91/18/65/822911865.db2.gz JRERZGQYQITYLE-QGZVFWFLSA-N 0 0 397.500 4.309 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000054786538 822913304 /nfs/dbraw/zinc/91/33/04/822913304.db2.gz MQRFTJALDCXRQD-GOSISDBHSA-N 0 0 389.499 4.237 20 10 GICDRN COc1ccc(F)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000186715304 822943109 /nfs/dbraw/zinc/94/31/09/822943109.db2.gz SQVUMGCPEHGEAG-UHFFFAOYSA-N 0 0 398.400 4.034 20 10 GICDRN CN1C(=O)CCc2cc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)ccc21 ZINC000186838748 822965052 /nfs/dbraw/zinc/96/50/52/822965052.db2.gz AIPMOXVLQWZYTR-SFQUDFHCSA-N 0 0 386.542 4.130 20 10 GICDRN COc1ccc(-c2ccncc2)cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000186859375 822969366 /nfs/dbraw/zinc/96/93/66/822969366.db2.gz QSSGOCYUXHJYNK-RGEXLXHISA-N 0 0 379.485 4.213 20 10 GICDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186996660 822994357 /nfs/dbraw/zinc/99/43/57/822994357.db2.gz MNJMDUWVBOPSGA-CYBMUJFWSA-N 0 0 378.289 4.434 20 10 GICDRN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)c(C)c1O ZINC000187060563 823005344 /nfs/dbraw/zinc/00/53/44/823005344.db2.gz HKNCCIGMDBGTQE-UHFFFAOYSA-N 0 0 384.379 4.009 20 10 GICDRN CCc1ccc([C@@H](COC)NC(=O)N(Cc2ccco2)Cc2ccccc2O)o1 ZINC000175630515 823009906 /nfs/dbraw/zinc/00/99/06/823009906.db2.gz AERIKHOZIXUYEV-LJQANCHMSA-N 0 0 398.459 4.240 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2c(F)cccc2Br)cc1 ZINC000175633163 823010069 /nfs/dbraw/zinc/01/00/69/823010069.db2.gz BQVTUMALKWKGPZ-UHFFFAOYSA-N 0 0 379.273 4.364 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000175659398 823014471 /nfs/dbraw/zinc/01/44/71/823014471.db2.gz VGLKPPTULPWUME-CQSZACIVSA-N 0 0 397.500 4.127 20 10 GICDRN Cc1nc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2s1 ZINC000123856472 823546353 /nfs/dbraw/zinc/54/63/53/823546353.db2.gz VCSWDAJQZSXCFH-UHFFFAOYSA-N 0 0 396.516 4.105 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4CC3(C(F)(F)F)C4)ccc21 ZINC000411121931 823549756 /nfs/dbraw/zinc/54/97/56/823549756.db2.gz MIVSVTPBTXWMQZ-UHFFFAOYSA-N 0 0 380.410 4.071 20 10 GICDRN Cc1nc(CC(C)C)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000190233523 823553863 /nfs/dbraw/zinc/55/38/63/823553863.db2.gz QGRYQOIFZWMTDU-HXUWFJFHSA-N 0 0 399.535 4.069 20 10 GICDRN COc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(OC)c1 ZINC000124086010 823566278 /nfs/dbraw/zinc/56/62/78/823566278.db2.gz CNAFHCOTELVHKR-UHFFFAOYSA-N 0 0 397.519 4.036 20 10 GICDRN [O-]c1c(Br)cccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000124602879 823610504 /nfs/dbraw/zinc/61/05/04/823610504.db2.gz JGIJWGNWNXLCMD-SFHVURJKSA-N 0 0 376.294 4.100 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000124641721 823613439 /nfs/dbraw/zinc/61/34/39/823613439.db2.gz BTQIJBODYGDSFY-UHFFFAOYSA-N 0 0 390.483 4.348 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(CCOC)c2ccccc12 ZINC000062244708 823625865 /nfs/dbraw/zinc/62/58/65/823625865.db2.gz VXDZSHOTUIAZQO-UHFFFAOYSA-N 0 0 379.504 4.016 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000190965983 823631789 /nfs/dbraw/zinc/63/17/89/823631789.db2.gz BYVPLHHWZKDARP-HNNXBMFYSA-N 0 0 384.476 4.310 20 10 GICDRN Cc1nc(-c2cccnc2)nc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1C ZINC000461466715 823643098 /nfs/dbraw/zinc/64/30/98/823643098.db2.gz UOMMRGBZTAFXGY-UHFFFAOYSA-N 0 0 382.471 4.325 20 10 GICDRN COC1CCC(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC1 ZINC000125010493 823644982 /nfs/dbraw/zinc/64/49/82/823644982.db2.gz CZGQDIYSJABYNC-UHFFFAOYSA-N 0 0 386.458 4.239 20 10 GICDRN COc1cccc(CO[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125300256 823666098 /nfs/dbraw/zinc/66/60/98/823666098.db2.gz IDDCJZMRJZTJIP-KRWDZBQOSA-N 0 0 395.455 4.128 20 10 GICDRN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000125665925 823694816 /nfs/dbraw/zinc/69/48/16/823694816.db2.gz OLJCAZJLMPQFNP-GOSISDBHSA-N 0 0 386.561 4.072 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(ccn2CCC)c1 ZINC000125732980 823701694 /nfs/dbraw/zinc/70/16/94/823701694.db2.gz TWEKPLIKFPKROE-UHFFFAOYSA-N 0 0 393.487 4.134 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)ccc1SC ZINC000125771572 823706911 /nfs/dbraw/zinc/70/69/11/823706911.db2.gz WPHUXOUWSPOYJQ-UHFFFAOYSA-N 0 0 392.908 4.145 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H]1COc2ccccc21 ZINC000163481865 823714533 /nfs/dbraw/zinc/71/45/33/823714533.db2.gz HFZYJNNVZGNEKG-OXJNMPFZSA-N 0 0 392.455 4.262 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2nc(CN3CCCC3)cs2)s1 ZINC000164252061 823789883 /nfs/dbraw/zinc/78/98/83/823789883.db2.gz VEFXFSVJBCHHJS-UHFFFAOYSA-N 0 0 396.607 4.224 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000126193925 823809932 /nfs/dbraw/zinc/80/99/32/823809932.db2.gz QDPIGZWHMZPLGP-AWEZNQCLSA-N 0 0 391.487 4.078 20 10 GICDRN C[C@@H](Oc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1)c1ccccc1 ZINC000191922407 823812295 /nfs/dbraw/zinc/81/22/95/823812295.db2.gz NYLIYYBPYLRTJH-MRXNPFEDSA-N 0 0 377.440 4.210 20 10 GICDRN COc1ccc(Cl)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000064548092 823842060 /nfs/dbraw/zinc/84/20/60/823842060.db2.gz MVNAYGJIIJSOTN-UHFFFAOYSA-N 0 0 391.924 4.224 20 10 GICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126492479 823883201 /nfs/dbraw/zinc/88/32/01/823883201.db2.gz OQYLNZFKUSTGCN-UHFFFAOYSA-N 0 0 376.416 4.386 20 10 GICDRN O=C(Cc1cc(F)c(F)cc1F)N(Cc1ccco1)Cc1ccccc1O ZINC000126525653 823890484 /nfs/dbraw/zinc/89/04/84/823890484.db2.gz BJWZVQUUFQMLRM-UHFFFAOYSA-N 0 0 375.346 4.174 20 10 GICDRN CCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)c1 ZINC000126602349 823909024 /nfs/dbraw/zinc/90/90/24/823909024.db2.gz DANHFOGHMGTYIB-IBGZPJMESA-N 0 0 384.476 4.312 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000170732014 823957171 /nfs/dbraw/zinc/95/71/71/823957171.db2.gz QXNLIJYUYUOCFT-UHFFFAOYSA-N 0 0 392.455 4.397 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nc(C2CCCC2)no1 ZINC000126998624 823997843 /nfs/dbraw/zinc/99/78/43/823997843.db2.gz PGVMWZQFSPMGHV-UHFFFAOYSA-N 0 0 396.535 4.309 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000171015515 824037843 /nfs/dbraw/zinc/03/78/43/824037843.db2.gz SLXIUKTWRNHIOC-HNNXBMFYSA-N 0 0 395.415 4.366 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)cc1 ZINC000171018124 824038696 /nfs/dbraw/zinc/03/86/96/824038696.db2.gz DVFHMAUJQDKNAH-UHFFFAOYSA-N 0 0 384.476 4.448 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc2ncccc21 ZINC000175849651 823055182 /nfs/dbraw/zinc/05/51/82/823055182.db2.gz HAGGJEOHWOBMAO-UHFFFAOYSA-N 0 0 385.261 4.365 20 10 GICDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175860284 823057167 /nfs/dbraw/zinc/05/71/67/823057167.db2.gz MRZGENTYYQCIKQ-INIZCTEOSA-N 0 0 398.551 4.218 20 10 GICDRN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000175861509 823057442 /nfs/dbraw/zinc/05/74/42/823057442.db2.gz CIIYGMPBBNBSJF-MRXNPFEDSA-N 0 0 382.464 4.064 20 10 GICDRN CCO[C@H](C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764976 823059669 /nfs/dbraw/zinc/05/96/69/823059669.db2.gz BEOGTWOALBNVIF-QAPCUYQASA-N 0 0 376.522 4.127 20 10 GICDRN CSCc1cc(F)ccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120802789 823067203 /nfs/dbraw/zinc/06/72/03/823067203.db2.gz AHRGBMZNPLYVMM-UHFFFAOYSA-N 0 0 385.508 4.064 20 10 GICDRN FC(F)Oc1ccc(NCc2ccc(N3CCOCC3)cc2)c2ncccc12 ZINC000187496152 823075198 /nfs/dbraw/zinc/07/51/98/823075198.db2.gz PWKODCBEIDVEQF-UHFFFAOYSA-N 0 0 385.414 4.285 20 10 GICDRN COc1ccc([C@H](C)CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000176154921 823138003 /nfs/dbraw/zinc/13/80/03/823138003.db2.gz URXSDKREDHYCAH-DYESRHJHSA-N 0 0 383.488 4.102 20 10 GICDRN CCCN(CCC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121278377 823153351 /nfs/dbraw/zinc/15/33/51/823153351.db2.gz SIJXPXDCZOSYBH-SQFISAMPSA-N 0 0 396.603 4.378 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000056532513 823163785 /nfs/dbraw/zinc/16/37/85/823163785.db2.gz QARZUQVECHOZSN-UHFFFAOYSA-N 0 0 389.883 4.101 20 10 GICDRN Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)oc2c1C(=O)CCC2 ZINC000176268299 823167914 /nfs/dbraw/zinc/16/79/14/823167914.db2.gz NPFLPNGVHLMMHS-UHFFFAOYSA-N 0 0 399.402 4.135 20 10 GICDRN CCOC1CC(CCNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000188152707 823194772 /nfs/dbraw/zinc/19/47/72/823194772.db2.gz UVLOYEFAZUOGLZ-OCEACIFDSA-N 0 0 394.475 4.362 20 10 GICDRN COc1cc(NC(=O)c2sccc2-n2c(C)ccc2C)ccc1NC(C)=O ZINC000056833436 823220353 /nfs/dbraw/zinc/22/03/53/823220353.db2.gz DKQTXVZFFMTWIQ-UHFFFAOYSA-N 0 0 383.473 4.375 20 10 GICDRN COc1cccc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)cc(C)nc12 ZINC000121656517 823223861 /nfs/dbraw/zinc/22/38/61/823223861.db2.gz UTYXOWYPOUWUKH-UHFFFAOYSA-N 0 0 395.478 4.264 20 10 GICDRN CC(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)=C1CCCC1 ZINC000176558209 823236865 /nfs/dbraw/zinc/23/68/65/823236865.db2.gz KOFYIHYXWUHMHQ-UHFFFAOYSA-N 0 0 382.426 4.049 20 10 GICDRN CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000176559230 823236979 /nfs/dbraw/zinc/23/69/79/823236979.db2.gz ZLSLQPYFBSLTMN-INIZCTEOSA-N 0 0 387.549 4.325 20 10 GICDRN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1-c1cccc(F)c1 ZINC000005886561 817628284 /nfs/dbraw/zinc/62/82/84/817628284.db2.gz KJJVLPGOIGISDI-UHFFFAOYSA-N 0 0 380.448 4.251 20 10 GICDRN Cc1ccccc1NC(=S)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006632676 817713272 /nfs/dbraw/zinc/71/32/72/817713272.db2.gz OTOGPUSNGCLXJR-FQEVSTJZSA-N 0 0 383.561 4.439 20 10 GICDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc(F)cc1 ZINC000006973089 817731975 /nfs/dbraw/zinc/73/19/75/817731975.db2.gz YRDHKGCPHITJQU-UHFFFAOYSA-N 0 0 398.459 4.455 20 10 GICDRN CN(C)c1ccc(CNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 ZINC000007093693 817757736 /nfs/dbraw/zinc/75/77/36/817757736.db2.gz FIGUIJORPMWXOU-UHFFFAOYSA-N 0 0 383.542 4.285 20 10 GICDRN COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c([N+](=O)[O-])cc1OC ZINC000007163892 817777391 /nfs/dbraw/zinc/77/73/91/817777391.db2.gz WCIYYGISPFMITL-MFOYZWKCSA-N 0 0 399.428 4.003 20 10 GICDRN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007245667 817802608 /nfs/dbraw/zinc/80/26/08/817802608.db2.gz UPFQHZWBLPAMFO-INIZCTEOSA-N 0 0 396.560 4.014 20 10 GICDRN O=C1N=C(NC2CCCCC2)SC1=Cc1cc(Cl)c2c(c1)OCCO2 ZINC000008078653 817995330 /nfs/dbraw/zinc/99/53/30/817995330.db2.gz RIUNSDCZMOALIX-GDNBJRDFSA-N 0 0 378.881 4.004 20 10 GICDRN CCOc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1OC(F)F ZINC000008117840 818002948 /nfs/dbraw/zinc/00/29/48/818002948.db2.gz GYYMQTODDHNCKX-KAMYIIQDSA-N 0 0 382.432 4.143 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3[nH]2)cc1 ZINC000057512147 823306152 /nfs/dbraw/zinc/30/61/52/823306152.db2.gz OVCKVYWKPQZPIA-FQEVSTJZSA-N 0 0 377.488 4.055 20 10 GICDRN Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000122102129 823306742 /nfs/dbraw/zinc/30/67/42/823306742.db2.gz NRBWRGSKXKSVDZ-UHFFFAOYSA-N 0 0 394.437 4.240 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC1CCCC1 ZINC000011647929 818104464 /nfs/dbraw/zinc/10/44/64/818104464.db2.gz ODVPWTLYPCCKNW-UHFFFAOYSA-N 0 0 381.501 4.342 20 10 GICDRN CCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000015022358 818283726 /nfs/dbraw/zinc/28/37/26/818283726.db2.gz NCTWWUYXBYXQHR-UHFFFAOYSA-N 0 0 379.435 4.235 20 10 GICDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(Cl)c1OCC(C)C ZINC000015134949 818293850 /nfs/dbraw/zinc/29/38/50/818293850.db2.gz OBLKHSRVQWUROW-UHFFFAOYSA-N 0 0 390.911 4.379 20 10 GICDRN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)nc3)SC2=S)cc1 ZINC000176952328 823333029 /nfs/dbraw/zinc/33/30/29/823333029.db2.gz DVBXIKZFYYPVHA-ATVHPVEESA-N 0 0 381.526 4.396 20 10 GICDRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=C1SC(=S)NC1=O ZINC000016406726 818437531 /nfs/dbraw/zinc/43/75/31/818437531.db2.gz IBRRQMQNDYATII-SDQBBNPISA-N 0 0 384.313 4.035 20 10 GICDRN COc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000017700860 818524102 /nfs/dbraw/zinc/52/41/02/818524102.db2.gz PVOGPNAOAGACEH-PGMHBOJBSA-N 0 0 398.462 4.489 20 10 GICDRN Cc1nn(-c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)c(C)c1Cl ZINC000018215099 818557273 /nfs/dbraw/zinc/55/72/73/818557273.db2.gz AUFQBEURTCLSJA-UHFFFAOYSA-N 0 0 382.895 4.139 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189049006 823348233 /nfs/dbraw/zinc/34/82/33/823348233.db2.gz RHMMOAWERPOFKH-NSHDSACASA-N 0 0 397.368 4.035 20 10 GICDRN COc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1OC1CCCC1 ZINC000122448230 823355739 /nfs/dbraw/zinc/35/57/39/823355739.db2.gz JIKYXKOPLGJKMJ-UHFFFAOYSA-N 0 0 382.504 4.465 20 10 GICDRN O=C1C(=Cc2ccc(N3CCCCC3)cc2)NC(=S)N1c1ccccc1F ZINC000021678002 818724355 /nfs/dbraw/zinc/72/43/55/818724355.db2.gz VPUWBZJRHZRBEE-NBVRZTHBSA-N 0 0 381.476 4.078 20 10 GICDRN CN(C)c1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 ZINC000021935463 818757399 /nfs/dbraw/zinc/75/73/99/818757399.db2.gz FEORGMIECRVYDS-UHFFFAOYSA-N 0 0 385.920 4.388 20 10 GICDRN Oc1ccc(Br)cc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000122533350 823368131 /nfs/dbraw/zinc/36/81/31/823368131.db2.gz NOZSLNFSKCGCMN-OAHLLOKOSA-N 0 0 394.656 4.070 20 10 GICDRN Cc1noc(C)c1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000023512932 818952280 /nfs/dbraw/zinc/95/22/80/818952280.db2.gz CSQUFQJNOMJCTH-UHFFFAOYSA-N 0 0 395.798 4.077 20 10 GICDRN COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000023744928 818978734 /nfs/dbraw/zinc/97/87/34/818978734.db2.gz YVRROPJZZAYVOC-UHFFFAOYSA-N 0 0 390.487 4.172 20 10 GICDRN C[C@H](c1ccccc1F)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122691117 823395419 /nfs/dbraw/zinc/39/54/19/823395419.db2.gz DDFCTRXMGHWPJC-MRXNPFEDSA-N 0 0 387.524 4.282 20 10 GICDRN O[C@@H](CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)CC(F)(F)F ZINC000189341757 823397305 /nfs/dbraw/zinc/39/73/05/823397305.db2.gz GZOUQEDHFRZYCQ-HUUCEWRRSA-N 0 0 386.439 4.135 20 10 GICDRN CC(C)n1ncc2ccc(NC(=O)NCCCSc3nccs3)cc21 ZINC000177251044 823409691 /nfs/dbraw/zinc/40/96/91/823409691.db2.gz MFRWMIICHGYVGZ-UHFFFAOYSA-N 0 0 375.523 4.378 20 10 GICDRN O=C(NCCCSc1nccs1)N(Cc1c(F)cccc1F)C1CC1 ZINC000189558637 823444020 /nfs/dbraw/zinc/44/40/20/823444020.db2.gz XSZMOIHPHQASAQ-UHFFFAOYSA-N 0 0 383.489 4.278 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc(-c3ccccc3)s2)cc1 ZINC000177462475 823468064 /nfs/dbraw/zinc/46/80/64/823468064.db2.gz SRUCQTJMDBQTKQ-UHFFFAOYSA-N 0 0 395.532 4.051 20 10 GICDRN Cc1ccc(-c2nnc([C@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123300241 823492810 /nfs/dbraw/zinc/49/28/10/823492810.db2.gz URSYLPIQHRSBLA-MSOLQXFVSA-N 0 0 392.503 4.293 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000030990726 820716939 /nfs/dbraw/zinc/71/69/39/820716939.db2.gz WGWFEUJFCHGGHE-UHFFFAOYSA-N 0 0 396.535 4.079 20 10 GICDRN Cc1ccc(NCc2cc(Cl)ccc2O)cc1NC(=O)CN1CCCCC1 ZINC000123536771 823518881 /nfs/dbraw/zinc/51/88/81/823518881.db2.gz UDSZGVPSLPJHNO-UHFFFAOYSA-N 0 0 387.911 4.391 20 10 GICDRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000035040886 821063705 /nfs/dbraw/zinc/06/37/05/821063705.db2.gz VOECKXGIWQJNSN-LDADJPATSA-N 0 0 382.510 4.361 20 10 GICDRN Cn1cc(/C=C2\CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c(C(F)F)n1 ZINC000460876512 823534231 /nfs/dbraw/zinc/53/42/31/823534231.db2.gz PQLATJCDERNKNL-XBXARRHUSA-N 0 0 397.212 4.319 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000180680243 821393446 /nfs/dbraw/zinc/39/34/46/821393446.db2.gz RCNGWRXEWJZPDM-CSKARUKUSA-N 0 0 392.386 4.141 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180989089 821577270 /nfs/dbraw/zinc/57/72/70/821577270.db2.gz WJDGJGPHLBWRCS-UHFFFAOYSA-N 0 0 375.419 4.325 20 10 GICDRN COc1ccc(C)cc1-c1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000181057823 821613722 /nfs/dbraw/zinc/61/37/22/821613722.db2.gz ZCJHLJBMRFXAKD-VMPITWQZSA-N 0 0 382.441 4.190 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000181419546 821816988 /nfs/dbraw/zinc/81/69/88/821816988.db2.gz JNJNFLYNDUTUQP-ZDUSSCGKSA-N 0 0 386.879 4.226 20 10 GICDRN c1ccc(OCCc2nnc(NCc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000181835003 822011681 /nfs/dbraw/zinc/01/16/81/822011681.db2.gz QUPUCDKUMIMMCI-UHFFFAOYSA-N 0 0 378.476 4.294 20 10 GICDRN COc1ccc(N2CCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000181993596 822056478 /nfs/dbraw/zinc/05/64/78/822056478.db2.gz UCEBHJVOGOQRRT-UHFFFAOYSA-N 0 0 384.442 4.103 20 10 GICDRN COc1ccc(N2CCCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000182035003 822069283 /nfs/dbraw/zinc/06/92/83/822069283.db2.gz GJXRRZRJWXDPSI-UHFFFAOYSA-N 0 0 398.469 4.493 20 10 GICDRN COc1cccc2[nH]cc(CC(=O)N(Cc3ccco3)Cc3ccccc3O)c21 ZINC000182405819 822232109 /nfs/dbraw/zinc/23/21/09/822232109.db2.gz ZIYRNZPHGKWGNR-UHFFFAOYSA-N 0 0 390.439 4.247 20 10 GICDRN C[C@@H](CN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nccs1 ZINC000182560343 822302934 /nfs/dbraw/zinc/30/29/34/822302934.db2.gz DMYWOYBNOWSOJQ-KRWDZBQOSA-N 0 0 386.565 4.325 20 10 GICDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000182569627 822306895 /nfs/dbraw/zinc/30/68/95/822306895.db2.gz AWOSUPVIVZKYJB-IBGZPJMESA-N 0 0 387.503 4.059 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)c3cnn(CCC(F)(F)F)c3)cc2)CC1 ZINC000182656640 822341061 /nfs/dbraw/zinc/34/10/61/822341061.db2.gz SPPNPLXLDCNWSJ-UHFFFAOYSA-N 0 0 394.441 4.002 20 10 GICDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(Br)cc1F ZINC000178195404 822348835 /nfs/dbraw/zinc/34/88/35/822348835.db2.gz PHMOOBPZXWELGD-UHFFFAOYSA-N 0 0 393.256 4.206 20 10 GICDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCSc1nccs1 ZINC000182733542 822359453 /nfs/dbraw/zinc/35/94/53/822359453.db2.gz WKFYAFMYAMIWOE-OAHLLOKOSA-N 0 0 393.582 4.292 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000045318925 822378640 /nfs/dbraw/zinc/37/86/40/822378640.db2.gz SWNWFZDKAJAAQW-QFIPXVFZSA-N 0 0 381.520 4.444 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000045351290 822380519 /nfs/dbraw/zinc/38/05/19/822380519.db2.gz ZRFDALQSKIQYBR-LAUBAEHRSA-N 0 0 398.503 4.243 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000178505883 822386097 /nfs/dbraw/zinc/38/60/97/822386097.db2.gz IABLDJSCSMOECS-UHFFFAOYSA-N 0 0 396.384 4.206 20 10 GICDRN CSCCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000045631202 822401475 /nfs/dbraw/zinc/40/14/75/822401475.db2.gz LRLGMZBTKLHQFR-FMIVXFBMSA-N 0 0 388.377 4.403 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000045810797 822415394 /nfs/dbraw/zinc/41/53/94/822415394.db2.gz OVVKPSJEZSNOAB-UHFFFAOYSA-N 0 0 376.456 4.313 20 10 GICDRN CCCOc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000045882338 822421541 /nfs/dbraw/zinc/42/15/41/822421541.db2.gz KJWQOXXYANRZRW-OAQYLSRUSA-N 0 0 398.503 4.072 20 10 GICDRN O=C(/C=C/c1ccc(Cl)s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179119697 822440405 /nfs/dbraw/zinc/44/04/05/822440405.db2.gz JFTQLLQNLHPUHB-HQPKTYMTSA-N 0 0 377.893 4.328 20 10 GICDRN CC(C)c1cnc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000183484778 822483432 /nfs/dbraw/zinc/48/34/32/822483432.db2.gz PPJKFEMIVIVBJQ-UHFFFAOYSA-N 0 0 399.482 4.412 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1c(C)nn(CC)c1C ZINC000179523124 822496615 /nfs/dbraw/zinc/49/66/15/822496615.db2.gz AADOEVMIRFMBKT-UHFFFAOYSA-N 0 0 395.301 4.042 20 10 GICDRN CCOc1cccc(CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1O ZINC000179605527 822511359 /nfs/dbraw/zinc/51/13/59/822511359.db2.gz VDCFWNCDYMCMEK-UHFFFAOYSA-N 0 0 396.409 4.270 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1noc(C2CCOCC2)n1)Cc1ccccc1O ZINC000179642437 822518376 /nfs/dbraw/zinc/51/83/76/822518376.db2.gz PNOZDIJKTRYILF-QGZVFWFLSA-N 0 0 393.487 4.433 20 10 GICDRN NC(=O)c1cccc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000047439088 822579085 /nfs/dbraw/zinc/57/90/85/822579085.db2.gz IYGYFXDEVBQWPF-IBGZPJMESA-N 0 0 393.512 4.120 20 10 GICDRN O=C(c1ccc2ccccc2c1O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000179941568 822581845 /nfs/dbraw/zinc/58/18/45/822581845.db2.gz XPPHXKWGPQCMJY-GOSISDBHSA-N 0 0 377.440 4.072 20 10 GICDRN CC(=O)Nc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1F ZINC000047482457 822582964 /nfs/dbraw/zinc/58/29/64/822582964.db2.gz XIBCQKGDZYZMOG-UHFFFAOYSA-N 0 0 397.406 4.317 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184462328 822639806 /nfs/dbraw/zinc/63/98/06/822639806.db2.gz BIFFTQDQDLZZSL-QGZVFWFLSA-N 0 0 383.442 4.040 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(COc2ccccc2F)on1 ZINC000184569265 822658824 /nfs/dbraw/zinc/65/88/24/822658824.db2.gz YANHWWOITKWVDW-UHFFFAOYSA-N 0 0 384.407 4.151 20 10 GICDRN CSCc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000184752967 822686110 /nfs/dbraw/zinc/68/61/10/822686110.db2.gz XNQHWQFACFNMSB-GOSISDBHSA-N 0 0 386.517 4.468 20 10 GICDRN CCc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C ZINC000180516533 822694838 /nfs/dbraw/zinc/69/48/38/822694838.db2.gz DMTYDHRDRDWBNX-UHFFFAOYSA-N 0 0 392.455 4.024 20 10 GICDRN COc1ccc([C@@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961118 822718737 /nfs/dbraw/zinc/71/87/37/822718737.db2.gz XULIXIUMFNRPOG-QMHKHESXSA-N 0 0 391.515 4.453 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(Cc3ccccc3F)s2)c1 ZINC000184979851 822721143 /nfs/dbraw/zinc/72/11/43/822721143.db2.gz INTWPCRDYGBFRL-GFCCVEGCSA-N 0 0 386.448 4.078 20 10 GICDRN CN1C(=O)/C(=C/c2csc(COc3ccc(Cl)cc3)n2)SC1=S ZINC000050178921 822721194 /nfs/dbraw/zinc/72/11/94/822721194.db2.gz PFQNSWIKEFUDIR-SDQBBNPISA-N 0 0 382.919 4.207 20 10 GICDRN C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1[O-] ZINC000185024727 822726444 /nfs/dbraw/zinc/72/64/44/822726444.db2.gz PQRQEWPECIKQNB-GFCCVEGCSA-N 0 0 383.389 4.265 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc4c3OCC[C@@H]4O)c2C)cc1 ZINC000185356714 822770584 /nfs/dbraw/zinc/77/05/84/822770584.db2.gz BKLWQSXURXGGIM-NRFANRHFSA-N 0 0 392.455 4.171 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000051714437 822776111 /nfs/dbraw/zinc/77/61/11/822776111.db2.gz DIDMLUQUJNYSPU-SIKLNZKXSA-N 0 0 399.510 4.201 20 10 GICDRN CCOc1ccc(O)c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000185385475 822776357 /nfs/dbraw/zinc/77/63/57/822776357.db2.gz OIYMGKCPQLWWGD-UHFFFAOYSA-N 0 0 392.503 4.312 20 10 GICDRN COc1ccc(N2CCC(NC(=O)CCc3c[nH]c4ccc(C)cc34)CC2)cc1 ZINC000174503104 822797776 /nfs/dbraw/zinc/79/77/76/822797776.db2.gz ZAAFMXDVMDIQPV-UHFFFAOYSA-N 0 0 391.515 4.203 20 10 GICDRN CC(=O)c1c(F)cccc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000052426864 822798796 /nfs/dbraw/zinc/79/87/96/822798796.db2.gz XNTBDHMYRAKCOY-UHFFFAOYSA-N 0 0 396.384 4.496 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)CC2)cc1 ZINC000174607424 822811855 /nfs/dbraw/zinc/81/18/55/822811855.db2.gz LKXCAJBNRRYASB-UWJYYQICSA-N 0 0 397.519 4.440 20 10 GICDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cnc(-c2ccccc2)nc1 ZINC000053105552 822821847 /nfs/dbraw/zinc/82/18/47/822821847.db2.gz SIRJVFKJFGLUTG-MHWRWJLKSA-N 0 0 386.842 4.451 20 10 GICDRN c1ccc(CSc2nnc(NCc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000185903632 822831794 /nfs/dbraw/zinc/83/17/94/822831794.db2.gz JMECXRWFTSUEJM-UHFFFAOYSA-N 0 0 398.557 4.279 20 10 GICDRN CC(C)(O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000185936475 822835124 /nfs/dbraw/zinc/83/51/24/822835124.db2.gz FXCZTHSOCFPJBC-UHFFFAOYSA-N 0 0 394.471 4.125 20 10 GICDRN COCCN(Cc1coc(-c2ccc(F)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000174799722 822838821 /nfs/dbraw/zinc/83/88/21/822838821.db2.gz ROSGXESWJVTTCE-UHFFFAOYSA-N 0 0 386.423 4.151 20 10 GICDRN O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000174914387 822855163 /nfs/dbraw/zinc/85/51/63/822855163.db2.gz FKSGGNFSKRWNCR-ZROIWOOFSA-N 0 0 396.415 4.382 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000054408823 822882751 /nfs/dbraw/zinc/88/27/51/822882751.db2.gz IFHBPTCKHPGJMJ-UHFFFAOYSA-N 0 0 395.503 4.166 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000175105597 822882844 /nfs/dbraw/zinc/88/28/44/822882844.db2.gz GPPLNYWOWJUTFG-UHFFFAOYSA-N 0 0 379.287 4.401 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000186398871 822888023 /nfs/dbraw/zinc/88/80/23/822888023.db2.gz UGOZZEYWYGTABF-ZIFCJYIRSA-N 0 0 377.525 4.301 20 10 GICDRN O=C1/C(=C/c2cnn(Cc3ccccc3)c2)SC(=S)N1Cc1cccs1 ZINC000054499556 822891064 /nfs/dbraw/zinc/89/10/64/822891064.db2.gz NKSZAEDPCSUONK-MFOYZWKCSA-N 0 0 397.550 4.394 20 10 GICDRN CC[C@@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1nccs1 ZINC000175161089 822895011 /nfs/dbraw/zinc/89/50/11/822895011.db2.gz CVPYHQWBOGWIJP-CYBMUJFWSA-N 0 0 398.326 4.294 20 10 GICDRN CC(C)(C)C1=S=C(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C=C1 ZINC000569624169 822946271 /nfs/dbraw/zinc/94/62/71/822946271.db2.gz RUYMHWLSOOMQAC-UHFFFAOYSA-N 0 0 376.547 4.212 20 10 GICDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000175505617 822985582 /nfs/dbraw/zinc/98/55/82/822985582.db2.gz WGOKKCXHKFWWPF-OXQOHEQNSA-N 0 0 398.503 4.253 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000175637867 823010805 /nfs/dbraw/zinc/01/08/05/823010805.db2.gz CNIBQINTQHPHQI-HTAPYJJXSA-N 0 0 397.494 4.098 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000187235227 823028903 /nfs/dbraw/zinc/02/89/03/823028903.db2.gz SDCDLAGYKWGPOU-LRDDRELGSA-N 0 0 382.382 4.107 20 10 GICDRN O=C(c1ccc(C(F)(F)F)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000190262671 823557625 /nfs/dbraw/zinc/55/76/25/823557625.db2.gz OXFKRYCDQVUJDU-HNNXBMFYSA-N 0 0 397.368 4.372 20 10 GICDRN COc1ccc(Cl)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123998521 823558751 /nfs/dbraw/zinc/55/87/51/823558751.db2.gz UDUFSGOVMHZCQE-MRXNPFEDSA-N 0 0 390.867 4.267 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC(c3ccncc3)CC2)cc1F ZINC000190392092 823568744 /nfs/dbraw/zinc/56/87/44/823568744.db2.gz MQBSQDUMSIFDOR-UHFFFAOYSA-N 0 0 384.499 4.156 20 10 GICDRN CCN(C)c1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cn1 ZINC000190398216 823569143 /nfs/dbraw/zinc/56/91/43/823569143.db2.gz SFFHSKKWTVLKBR-NTEUORMPSA-N 0 0 375.544 4.001 20 10 GICDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190548478 823585228 /nfs/dbraw/zinc/58/52/28/823585228.db2.gz HOIGRNKBIHPJER-XMMPIXPASA-N 0 0 395.547 4.160 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000190962714 823631200 /nfs/dbraw/zinc/63/12/00/823631200.db2.gz LSVZLRJUNUKDBH-GFCCVEGCSA-N 0 0 383.448 4.289 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000190985432 823634626 /nfs/dbraw/zinc/63/46/26/823634626.db2.gz JOHPXLJFFDFPAN-MRXNPFEDSA-N 0 0 392.455 4.430 20 10 GICDRN COc1cccc(CNC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1O ZINC000191099330 823649086 /nfs/dbraw/zinc/64/90/86/823649086.db2.gz QZTTYAYGBLRCRN-GFCCVEGCSA-N 0 0 382.382 4.023 20 10 GICDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cn(C)nc3-c3cccnc3)S2)c1 ZINC000063276445 823658983 /nfs/dbraw/zinc/65/89/83/823658983.db2.gz VROXQCLXHGPJKJ-ZDLGFXPLSA-N 0 0 389.484 4.181 20 10 GICDRN CCCCOc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125445599 823676701 /nfs/dbraw/zinc/67/67/01/823676701.db2.gz IHPSHZCENJLSJY-UHFFFAOYSA-N 0 0 397.519 4.366 20 10 GICDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000125458227 823677728 /nfs/dbraw/zinc/67/77/28/823677728.db2.gz LTMPNJUMPKANDZ-RTBURBONSA-N 0 0 393.622 4.055 20 10 GICDRN O=C(c1ccccc1SCc1cccs1)N1CCS[C@H]2COCC[C@H]21 ZINC000125460960 823677898 /nfs/dbraw/zinc/67/78/98/823677898.db2.gz JLQOMOGOOANFHC-AEFFLSMTSA-N 0 0 391.583 4.387 20 10 GICDRN Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000063616579 823683481 /nfs/dbraw/zinc/68/34/81/823683481.db2.gz CAMOTZPJIKWRRG-QHCPKHFHSA-N 0 0 393.531 4.187 20 10 GICDRN COc1cc(Cl)cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000191532435 823696486 /nfs/dbraw/zinc/69/64/86/823696486.db2.gz BKGHSFHITYHKGN-SNVBAGLBSA-N 0 0 377.803 4.094 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2ccccc2C(C)(C)C)cc(OC)c1OC ZINC000125768408 823706686 /nfs/dbraw/zinc/70/66/86/823706686.db2.gz QGZLGVAJRPMGBC-UHFFFAOYSA-N 0 0 386.492 4.085 20 10 GICDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H]1COc2ccccc21 ZINC000163481991 823714449 /nfs/dbraw/zinc/71/44/49/823714449.db2.gz HFZYJNNVZGNEKG-OXQOHEQNSA-N 0 0 392.455 4.262 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000163550426 823720542 /nfs/dbraw/zinc/72/05/42/823720542.db2.gz YVWDCMAECFXMKM-GCJKJVERSA-N 0 0 393.531 4.383 20 10 GICDRN COc1ccc(CNC(=O)[C@@H](C)Sc2ncc(C(C)(C)C)s2)cc1OC ZINC000164112046 823778857 /nfs/dbraw/zinc/77/88/57/823778857.db2.gz WWELSEJCVSHWAN-GFCCVEGCSA-N 0 0 394.562 4.255 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000064251896 823780831 /nfs/dbraw/zinc/78/08/31/823780831.db2.gz LZMXSRWOAKMJKB-UHFFFAOYSA-N 0 0 386.455 4.073 20 10 GICDRN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164305548 823794614 /nfs/dbraw/zinc/79/46/14/823794614.db2.gz BQCFSKOVOUEKHI-UHFFFAOYSA-N 0 0 391.471 4.174 20 10 GICDRN CC(C)c1c(NC(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccccc1 ZINC000192264831 823922368 /nfs/dbraw/zinc/92/23/68/823922368.db2.gz VSQBUNTVUFERTJ-UHFFFAOYSA-N 0 0 377.492 4.383 20 10 GICDRN Cc1cc(C(=O)NCCCCOCc2ccccc2)c(C)n1-c1ccccn1 ZINC000065143090 823951288 /nfs/dbraw/zinc/95/12/88/823951288.db2.gz VONYDDPANYPLSJ-UHFFFAOYSA-N 0 0 377.488 4.216 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000170777994 823968999 /nfs/dbraw/zinc/96/89/99/823968999.db2.gz KYOKUHQSMRDFMV-UHFFFAOYSA-N 0 0 392.528 4.468 20 10 GICDRN CCn1c(C)cc(/C=C2\SC(=S)N(c3cccc(NC(C)=O)c3)C2=O)c1C ZINC000170878038 823998488 /nfs/dbraw/zinc/99/84/88/823998488.db2.gz UCRTYAXDDYJENC-ZDLGFXPLSA-N 0 0 399.541 4.489 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000127020527 824001577 /nfs/dbraw/zinc/00/15/77/824001577.db2.gz PMGFTUNLGQFTAA-QFIPXVFZSA-N 0 0 397.563 4.086 20 10 GICDRN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000171009444 824036015 /nfs/dbraw/zinc/03/60/15/824036015.db2.gz HNJYGAYGWNORKF-RBBKRZOGSA-N 0 0 375.472 4.139 20 10 GICDRN CNC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl ZINC000047916485 205113576 /nfs/dbraw/zinc/11/35/76/205113576.db2.gz LLJQCVFDNWGAGN-UHFFFAOYSA-N 0 0 399.853 4.499 20 10 GICDRN COc1ccc(-c2ccncc2)cc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000187370651 823051459 /nfs/dbraw/zinc/05/14/59/823051459.db2.gz PNCGOZMJSZODAE-UHFFFAOYSA-N 0 0 394.471 4.419 20 10 GICDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)cc1F ZINC000120771092 823060918 /nfs/dbraw/zinc/06/09/18/823060918.db2.gz HXMDNVJNJBGCMP-CQSZACIVSA-N 0 0 376.859 4.115 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000120772694 823061103 /nfs/dbraw/zinc/06/11/03/823061103.db2.gz UASVXFRVCIXBOJ-UHFFFAOYSA-N 0 0 388.183 4.446 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000120776135 823061604 /nfs/dbraw/zinc/06/16/04/823061604.db2.gz XKZRGTNWUGMFQJ-GOSISDBHSA-N 0 0 394.494 4.062 20 10 GICDRN Cc1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(C)n1-c1ccccn1 ZINC000120804984 823067850 /nfs/dbraw/zinc/06/78/50/823067850.db2.gz YATQVWPFSFZIEW-UHFFFAOYSA-N 0 0 395.532 4.184 20 10 GICDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000120846754 823075678 /nfs/dbraw/zinc/07/56/78/823075678.db2.gz PZQIPGVQDADZFL-QHCPKHFHSA-N 0 0 395.547 4.092 20 10 GICDRN CCCCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000187729357 823121125 /nfs/dbraw/zinc/12/11/25/823121125.db2.gz SXIKZLBRAVIVIK-JOCHJYFZSA-N 0 0 378.532 4.400 20 10 GICDRN CCC(CC)c1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000121238585 823145167 /nfs/dbraw/zinc/14/51/67/823145167.db2.gz VZPMJKPJVDYGAU-OAHLLOKOSA-N 0 0 375.488 4.405 20 10 GICDRN CCOc1cc(Cl)ccc1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000121267671 823151673 /nfs/dbraw/zinc/15/16/73/823151673.db2.gz HVEAJVVGTIARRI-GFCCVEGCSA-N 0 0 378.856 4.013 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000124450425 823597803 /nfs/dbraw/zinc/59/78/03/823597803.db2.gz QTCPNOWEQNOYTO-NSHDSACASA-N 0 0 394.313 4.037 20 10 GICDRN Cc1cc(C(=O)NCc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1C ZINC000176414497 823203320 /nfs/dbraw/zinc/20/33/20/823203320.db2.gz IUZICHCAVMMEPG-MHZLTWQESA-N 0 0 380.513 4.070 20 10 GICDRN CC(C)CC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCC1 ZINC000121568638 823207883 /nfs/dbraw/zinc/20/78/83/823207883.db2.gz VLERSIRAURTEQD-UHFFFAOYSA-N 0 0 376.516 4.010 20 10 GICDRN O=C(CCOc1ccc(F)cc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000057150120 823255403 /nfs/dbraw/zinc/25/54/03/823255403.db2.gz PVCVHARHJXPSRC-UHFFFAOYSA-N 0 0 376.859 4.165 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(OC)c1OC ZINC000001416018 817376975 /nfs/dbraw/zinc/37/69/75/817376975.db2.gz XDSDRQRXHUFWJX-PTNGSMBKSA-N 0 0 393.530 4.246 20 10 GICDRN CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000005391417 817579097 /nfs/dbraw/zinc/57/90/97/817579097.db2.gz ASJGAESOZPRMMW-UHFFFAOYSA-N 0 0 384.407 4.132 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000006367901 817684229 /nfs/dbraw/zinc/68/42/29/817684229.db2.gz AYMXTGOBGSOPPE-FQEVSTJZSA-N 0 0 387.524 4.270 20 10 GICDRN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cc(F)c(Cl)cc1Cl ZINC000007219158 817796115 /nfs/dbraw/zinc/79/61/15/817796115.db2.gz QLZPOJMNWMMUCW-GFCCVEGCSA-N 0 0 398.309 4.166 20 10 GICDRN Cc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000188710784 823290643 /nfs/dbraw/zinc/29/06/43/823290643.db2.gz AMMGNGCMQPZBKD-INIZCTEOSA-N 0 0 395.482 4.165 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)cc1 ZINC000176788176 823292907 /nfs/dbraw/zinc/29/29/07/823292907.db2.gz GONZGRBCMZIPLQ-UHFFFAOYSA-N 0 0 386.455 4.117 20 10 GICDRN CCN1C(=O)/C(=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)SC1=S ZINC000007717751 817901636 /nfs/dbraw/zinc/90/16/36/817901636.db2.gz KBXSCQXTWMQNBA-MDWZMJQESA-N 0 0 381.885 4.194 20 10 GICDRN CN(C)c1ccc(CNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 ZINC000008067208 817993021 /nfs/dbraw/zinc/99/30/21/817993021.db2.gz LMPWGLCHOZNHRP-UHFFFAOYSA-N 0 0 390.483 4.027 20 10 GICDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057662194 823319676 /nfs/dbraw/zinc/31/96/76/823319676.db2.gz RNGYNOAMNWTLFK-UHFFFAOYSA-N 0 0 389.446 4.012 20 10 GICDRN CC(C)(C)Oc1cccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000176948643 823332076 /nfs/dbraw/zinc/33/20/76/823332076.db2.gz XZUQGHZIRTXBOF-UHFFFAOYSA-N 0 0 381.520 4.108 20 10 GICDRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccnc1 ZINC000016441221 818442098 /nfs/dbraw/zinc/44/20/98/818442098.db2.gz LBOJGGOYLZEZBK-QPEQYQDCSA-N 0 0 377.834 4.049 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017743813 818526735 /nfs/dbraw/zinc/52/67/35/818526735.db2.gz NQZYXVJZTJUFQX-UHFFFAOYSA-N 0 0 394.302 4.494 20 10 GICDRN CCOC(=O)c1sc2nc(C)nc(NCc3ccc(N(C)C)cc3)c2c1C ZINC000018061262 818542188 /nfs/dbraw/zinc/54/21/88/818542188.db2.gz BREXQBREQRPNDQ-UHFFFAOYSA-N 0 0 384.505 4.163 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1F ZINC000122366119 823344616 /nfs/dbraw/zinc/34/46/16/823344616.db2.gz HEDHKTIFSLSRSH-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1F ZINC000122370525 823345324 /nfs/dbraw/zinc/34/53/24/823345324.db2.gz ALQFBBMKIZQKOY-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN COc1ccc(CCNC(=S)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000018945071 818582020 /nfs/dbraw/zinc/58/20/20/818582020.db2.gz LEVAQCNRJFKBDV-UHFFFAOYSA-N 0 0 397.588 4.235 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1cccc(Cl)c1 ZINC000018945363 818582119 /nfs/dbraw/zinc/58/21/19/818582119.db2.gz OWXWIPCIENMNEP-UHFFFAOYSA-N 0 0 375.925 4.005 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000122397551 823348973 /nfs/dbraw/zinc/34/89/73/823348973.db2.gz HYGHUEGMQLIBJL-OAQYLSRUSA-N 0 0 397.471 4.429 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(I)cc1 ZINC000020497185 818623838 /nfs/dbraw/zinc/62/38/38/818623838.db2.gz OZBWSJRZILWFCU-UHFFFAOYSA-N 0 0 392.240 4.144 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cnc3onc(C(C)C)c3c2)cc1 ZINC000021412561 818684690 /nfs/dbraw/zinc/68/46/90/818684690.db2.gz DXPJLTOZJANWJG-UHFFFAOYSA-N 0 0 380.492 4.465 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccnn1C1CCCCC1 ZINC000122474703 823359659 /nfs/dbraw/zinc/35/96/59/823359659.db2.gz DPOBBGNBXYRDIV-UHFFFAOYSA-N 0 0 399.564 4.263 20 10 GICDRN CCCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122474225 823359665 /nfs/dbraw/zinc/35/96/65/823359665.db2.gz HWLGTZDDEFRVGL-UHFFFAOYSA-N 0 0 383.561 4.362 20 10 GICDRN COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522458 823366626 /nfs/dbraw/zinc/36/66/26/823366626.db2.gz FVBQYBJEXNLUAW-LSDHHAIUSA-N 0 0 376.447 4.222 20 10 GICDRN CNC(=O)c1ccc(OC)c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000058362551 823382824 /nfs/dbraw/zinc/38/28/24/823382824.db2.gz IIAZEAOIWLSKJC-UHFFFAOYSA-N 0 0 391.471 4.023 20 10 GICDRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCCCSc1nccs1 ZINC000177161569 823387144 /nfs/dbraw/zinc/38/71/44/823387144.db2.gz JMOKYHBUXVZVOW-ZDUSSCGKSA-N 0 0 391.345 4.172 20 10 GICDRN Cc1cn2c(/C=C3\CCn4c3nc3sc(C)c(C)c3c4=O)c(C)nc2s1 ZINC000058452894 823393814 /nfs/dbraw/zinc/39/38/14/823393814.db2.gz TXEMTGNZPIFXET-NTUHNPAUSA-N 0 0 382.514 4.345 20 10 GICDRN O=C1/C(=C/c2ccc(F)nc2)SC(=S)N1c1ccc(OC(F)F)cc1 ZINC000189422599 823412483 /nfs/dbraw/zinc/41/24/83/823412483.db2.gz COIWTWRRUOCFCK-GHXNOFRVSA-N 0 0 382.388 4.228 20 10 GICDRN Cc1c(F)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446610 823418811 /nfs/dbraw/zinc/41/88/11/823418811.db2.gz UQIFORLCDXHNCE-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000177283425 823420650 /nfs/dbraw/zinc/42/06/50/823420650.db2.gz KJHUWCOEPFYMDQ-OLRZCDJHSA-N 0 0 395.528 4.060 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCCC(F)(F)C3)ccc21 ZINC000410244695 823432415 /nfs/dbraw/zinc/43/24/15/823432415.db2.gz OVQJNJQEODBHGH-MRXNPFEDSA-N 0 0 378.463 4.460 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(-c4nnco4)c3)c2C)cc1 ZINC000024738412 819870698 /nfs/dbraw/zinc/87/06/98/819870698.db2.gz DGCLGKKUJHQGJW-UHFFFAOYSA-N 0 0 388.427 4.405 20 10 GICDRN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl ZINC000024808675 819879865 /nfs/dbraw/zinc/87/98/65/819879865.db2.gz MPFKNGHOXZCONN-CYBMUJFWSA-N 0 0 380.319 4.026 20 10 GICDRN CNC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 ZINC000024921085 819894989 /nfs/dbraw/zinc/89/49/89/819894989.db2.gz DPDXTKQDSXCTDO-UHFFFAOYSA-N 0 0 375.472 4.323 20 10 GICDRN Cc1cc(C(=O)CSc2ncnc3c2cnn3C)c(C)n1-c1ccccc1C ZINC000059271065 823488704 /nfs/dbraw/zinc/48/87/04/823488704.db2.gz WJWVSEXCQOPIJA-UHFFFAOYSA-N 0 0 391.500 4.054 20 10 GICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000177571967 823494023 /nfs/dbraw/zinc/49/40/23/823494023.db2.gz BXDAUPRWLUWMHO-LJQANCHMSA-N 0 0 388.511 4.439 20 10 GICDRN Cc1ccc(-c2nnc([C@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123299817 823492826 /nfs/dbraw/zinc/49/28/26/823492826.db2.gz URSYLPIQHRSBLA-ROUUACIJSA-N 0 0 392.503 4.293 20 10 GICDRN COc1ccc(Br)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000030828287 820688988 /nfs/dbraw/zinc/68/89/88/820688988.db2.gz XGQIBHOQSABJPW-UHFFFAOYSA-N 0 0 375.266 4.310 20 10 GICDRN Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000123457413 823510916 /nfs/dbraw/zinc/51/09/16/823510916.db2.gz OEGSZMAUENIQFZ-JKSUJKDBSA-N 0 0 387.549 4.323 20 10 GICDRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(O)c1O ZINC000177685510 823513394 /nfs/dbraw/zinc/51/33/94/823513394.db2.gz OVDRBLRRKMLMRA-INIZCTEOSA-N 0 0 393.487 4.357 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000060339865 823517013 /nfs/dbraw/zinc/51/70/13/823517013.db2.gz CAZPVYBVZFHBPI-UHFFFAOYSA-N 0 0 388.471 4.327 20 10 GICDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)c(I)c2)c1 ZINC000037056024 821089481 /nfs/dbraw/zinc/08/94/81/821089481.db2.gz FFVRCQFSUMYXPF-NSHDSACASA-N 0 0 383.229 4.487 20 10 GICDRN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042656222 821320445 /nfs/dbraw/zinc/32/04/45/821320445.db2.gz XFRJKTFMGVZKDF-UHFFFAOYSA-N 0 0 398.778 4.134 20 10 GICDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000180633108 821376153 /nfs/dbraw/zinc/37/61/53/821376153.db2.gz WYJPEZDWVHNDBX-QGZVFWFLSA-N 0 0 375.852 4.260 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000180634080 821376413 /nfs/dbraw/zinc/37/64/13/821376413.db2.gz KAMKSSVRSDLUQY-UXBLZVDNSA-N 0 0 377.362 4.321 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000180728159 821421035 /nfs/dbraw/zinc/42/10/35/821421035.db2.gz JDASIIISWCWECF-KRXBUXKQSA-N 0 0 392.480 4.374 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000181279807 821731681 /nfs/dbraw/zinc/73/16/81/821731681.db2.gz RSTPDYYMBKIQER-GFCCVEGCSA-N 0 0 388.851 4.056 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)cc1OCC(F)F ZINC000181428552 821822411 /nfs/dbraw/zinc/82/24/11/821822411.db2.gz QVRIUHDYTXJBCM-UHFFFAOYSA-N 0 0 391.393 4.168 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nncs1 ZINC000181582968 821889407 /nfs/dbraw/zinc/88/94/07/821889407.db2.gz MPQVGLBVFNAPSV-AWEZNQCLSA-N 0 0 385.514 4.126 20 10 GICDRN COc1cccc(CNC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)c1O ZINC000182344969 822209601 /nfs/dbraw/zinc/20/96/01/822209601.db2.gz VLJSBKHWFLBVJL-UHFFFAOYSA-N 0 0 390.411 4.041 20 10 GICDRN O=C(CC(Cc1ccccc1)Cc1ccccc1)NCc1ccc(O)c(O)c1 ZINC000182511066 822275656 /nfs/dbraw/zinc/27/56/56/822275656.db2.gz AUWRTAXXOBPIAN-UHFFFAOYSA-N 0 0 375.468 4.206 20 10 GICDRN Cc1cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c(C)n1Cc1ccco1 ZINC000178017783 822283650 /nfs/dbraw/zinc/28/36/50/822283650.db2.gz ISHWPBHFBGYHAD-MFOYZWKCSA-N 0 0 399.497 4.136 20 10 GICDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000178195969 822349539 /nfs/dbraw/zinc/34/95/39/822349539.db2.gz QGIDBQJAEPTWHY-UHFFFAOYSA-N 0 0 379.504 4.295 20 10 GICDRN CCc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1CC ZINC000182770679 822365075 /nfs/dbraw/zinc/36/50/75/822365075.db2.gz JMXXBYCUCGRFND-UHFFFAOYSA-N 0 0 399.510 4.233 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178304162 822365436 /nfs/dbraw/zinc/36/54/36/822365436.db2.gz MQRVZVOCPVUKDB-UHFFFAOYSA-N 0 0 394.475 4.069 20 10 GICDRN C[C@@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182785670 822367326 /nfs/dbraw/zinc/36/73/26/822367326.db2.gz VOKQDCYQMIAACW-MRXNPFEDSA-N 0 0 399.510 4.364 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000178729164 822405908 /nfs/dbraw/zinc/40/59/08/822405908.db2.gz ATGXLJDDEDJBFW-OFNKIYASSA-N 0 0 393.531 4.254 20 10 GICDRN COc1ccc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1-n1nnnc1C ZINC000183062083 822418938 /nfs/dbraw/zinc/41/89/38/822418938.db2.gz GHCSJBIKBJUBGC-INIZCTEOSA-N 0 0 392.507 4.143 20 10 GICDRN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ncc(Br)s1 ZINC000179207135 822451054 /nfs/dbraw/zinc/45/10/54/822451054.db2.gz JNZMLHBONYISDE-LBPRGKRZSA-N 0 0 398.395 4.310 20 10 GICDRN CC[C@@H](C)n1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000179398368 822477061 /nfs/dbraw/zinc/47/70/61/822477061.db2.gz BYHROQQLCDSSKS-QGZVFWFLSA-N 0 0 396.535 4.093 20 10 GICDRN CC[C@H](C)n1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000179398380 822477116 /nfs/dbraw/zinc/47/71/16/822477116.db2.gz BYHROQQLCDSSKS-KRWDZBQOSA-N 0 0 396.535 4.093 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000183460468 822478536 /nfs/dbraw/zinc/47/85/36/822478536.db2.gz LXDVCTFTXFCCAI-MRXNPFEDSA-N 0 0 383.488 4.099 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179621490 822514369 /nfs/dbraw/zinc/51/43/69/822514369.db2.gz RXDXXHVTIDQTNO-OAQYLSRUSA-N 0 0 386.923 4.412 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000179768730 822548802 /nfs/dbraw/zinc/54/88/02/822548802.db2.gz ZAFLAQITWQUQKC-GFCCVEGCSA-N 0 0 386.879 4.448 20 10 GICDRN CNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCCCCC3)cc2)cc1 ZINC000179827518 822560902 /nfs/dbraw/zinc/56/09/02/822560902.db2.gz IBRYZMLCRRFCGQ-SFHVURJKSA-N 0 0 381.520 4.365 20 10 GICDRN Cc1cc(C)c(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c1 ZINC000047323583 822565849 /nfs/dbraw/zinc/56/58/49/822565849.db2.gz ABMJYMBTPAPCOM-UHFFFAOYSA-N 0 0 381.520 4.142 20 10 GICDRN CCc1cccc(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047324434 822566095 /nfs/dbraw/zinc/56/60/95/822566095.db2.gz MOQXWAUPKCRYNE-UHFFFAOYSA-N 0 0 381.520 4.088 20 10 GICDRN O=C(NCc1ccc(C(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000184034193 822568222 /nfs/dbraw/zinc/56/82/22/822568222.db2.gz YKRLKCBMIFBBGJ-UHFFFAOYSA-N 0 0 391.487 4.177 20 10 GICDRN CC(C)(C)c1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047337265 822568256 /nfs/dbraw/zinc/56/82/56/822568256.db2.gz LPROCKIKDFYRCJ-UHFFFAOYSA-N 0 0 399.510 4.406 20 10 GICDRN CCOC(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000047523930 822587113 /nfs/dbraw/zinc/58/71/13/822587113.db2.gz IJSAQIXLYGAHEY-UHFFFAOYSA-N 0 0 394.427 4.396 20 10 GICDRN C[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000179971934 822588115 /nfs/dbraw/zinc/58/81/15/822588115.db2.gz IESCARVNFJMPHJ-GOSISDBHSA-N 0 0 381.520 4.494 20 10 GICDRN CCOCCOCc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000047605537 822596116 /nfs/dbraw/zinc/59/61/16/822596116.db2.gz VCQJXGXITLTVGU-UHFFFAOYSA-N 0 0 397.519 4.162 20 10 GICDRN O=C1/C(=C\c2ccc(SC(F)F)cc2)SC(=S)N1Cc1ccon1 ZINC000180442138 822682827 /nfs/dbraw/zinc/68/28/27/822682827.db2.gz NIRXVNDNCHPNOD-KPKJPENVSA-N 0 0 384.454 4.391 20 10 GICDRN COc1cc(CN2CCSC[C@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877423 822705831 /nfs/dbraw/zinc/70/58/31/822705831.db2.gz OUVJRMXVZPDHNG-INIZCTEOSA-N 0 0 378.563 4.445 20 10 GICDRN Cc1nnc([C@@H](N[C@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324880 822766350 /nfs/dbraw/zinc/76/63/50/822766350.db2.gz HQVOFQZZLRXAOL-DIFFPNOSSA-N 0 0 387.281 4.021 20 10 GICDRN COc1cccc(CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)c1O ZINC000174302393 822767444 /nfs/dbraw/zinc/76/74/44/822767444.db2.gz MHFJVLMBRFVNBK-UHFFFAOYSA-N 0 0 398.409 4.268 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000174304145 822767774 /nfs/dbraw/zinc/76/77/74/822767774.db2.gz CSHYXNCFTXSHJC-SGXKBVARSA-N 0 0 398.503 4.237 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)c1O ZINC000174342205 822775076 /nfs/dbraw/zinc/77/50/76/822775076.db2.gz RDVNSQZBJNHAMO-OAHLLOKOSA-N 0 0 377.444 4.023 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccc(C(C)=O)c1 ZINC000174346670 822775825 /nfs/dbraw/zinc/77/58/25/822775825.db2.gz IDDRKPYXWUZRDX-UHFFFAOYSA-N 0 0 391.265 4.411 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000051714439 822776081 /nfs/dbraw/zinc/77/60/81/822776081.db2.gz DIDMLUQUJNYSPU-UGKGYDQZSA-N 0 0 399.510 4.201 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1cccc2ccccc21 ZINC000185386330 822776320 /nfs/dbraw/zinc/77/63/20/822776320.db2.gz OIJFXQZFPIDPLA-INIZCTEOSA-N 0 0 379.456 4.157 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000051753487 822777567 /nfs/dbraw/zinc/77/75/67/822777567.db2.gz PCTQHMBYVYEKAP-UHFFFAOYSA-N 0 0 382.483 4.147 20 10 GICDRN O=C(NCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000174392807 822782946 /nfs/dbraw/zinc/78/29/46/822782946.db2.gz QHURDWLNZUBEOJ-UHFFFAOYSA-N 0 0 383.448 4.345 20 10 GICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCSCC3)cc2)c2ncccc12 ZINC000052428601 822799156 /nfs/dbraw/zinc/79/91/56/822799156.db2.gz FMNWXGKWAIHOOY-UHFFFAOYSA-N 0 0 380.473 4.308 20 10 GICDRN COc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nccs3)n2)cc1 ZINC000052914106 822815456 /nfs/dbraw/zinc/81/54/56/822815456.db2.gz UPZMJAITIKKFNG-SNVBAGLBSA-N 0 0 377.516 4.395 20 10 GICDRN Cc1nnc(-c2cccc(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)c2)o1 ZINC000174709007 822826686 /nfs/dbraw/zinc/82/66/86/822826686.db2.gz ZJTSCZFDSODIBG-UHFFFAOYSA-N 0 0 390.487 4.211 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1N(C)C ZINC000174825741 822842307 /nfs/dbraw/zinc/84/23/07/822842307.db2.gz KFLBJBCRXMUDIF-UHFFFAOYSA-N 0 0 392.297 4.275 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000053661905 822843956 /nfs/dbraw/zinc/84/39/56/822843956.db2.gz VAOUGJHWRXAAIO-UHFFFAOYSA-N 0 0 390.531 4.146 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186101263 822851900 /nfs/dbraw/zinc/85/19/00/822851900.db2.gz RFLRTPKIZLTZIR-HZPDHXFCSA-N 0 0 388.483 4.238 20 10 GICDRN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)on1 ZINC000186250247 822864947 /nfs/dbraw/zinc/86/49/47/822864947.db2.gz NYUYXXJBOBBOOI-MRXNPFEDSA-N 0 0 383.473 4.001 20 10 GICDRN CC(C)c1nc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000186270316 822867882 /nfs/dbraw/zinc/86/78/82/822867882.db2.gz YERHZEDDBTWIHT-CQSZACIVSA-N 0 0 377.529 4.218 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Br)c(OC)c2)c1 ZINC000175025965 822870110 /nfs/dbraw/zinc/87/01/10/822870110.db2.gz MMVLBGQWYPLJPH-JTQLQIEISA-N 0 0 395.253 4.055 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](Cc2ccccc2)c2cccs2)c1O ZINC000175025728 822870167 /nfs/dbraw/zinc/87/01/67/822870167.db2.gz UDMSXCRUUGKULT-QGZVFWFLSA-N 0 0 382.485 4.246 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000175041012 822872512 /nfs/dbraw/zinc/87/25/12/822872512.db2.gz COABZUWRNMDIEJ-INIZCTEOSA-N 0 0 394.475 4.049 20 10 GICDRN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000186373806 822884011 /nfs/dbraw/zinc/88/40/11/822884011.db2.gz DSNRZKOVKLQJBS-NSHDSACASA-N 0 0 388.316 4.343 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Sc1ccccc1 ZINC000186375145 822884262 /nfs/dbraw/zinc/88/42/62/822884262.db2.gz ISNNAUYEWYUNRL-CQSZACIVSA-N 0 0 380.469 4.005 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000186407787 822889633 /nfs/dbraw/zinc/88/96/33/822889633.db2.gz SMKXADHXXRVKAX-OAHLLOKOSA-N 0 0 388.423 4.123 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000186413202 822890479 /nfs/dbraw/zinc/89/04/79/822890479.db2.gz AEAOTGURYKITGZ-CYBMUJFWSA-N 0 0 383.394 4.404 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCCCCC1 ZINC000054549231 822894840 /nfs/dbraw/zinc/89/48/40/822894840.db2.gz XFQNRIZRXWYXIE-LJQANCHMSA-N 0 0 399.560 4.224 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186443751 822896557 /nfs/dbraw/zinc/89/65/57/822896557.db2.gz WDVXDZKYJFWXGM-CYBMUJFWSA-N 0 0 381.394 4.187 20 10 GICDRN O=C(c1cccc(C(F)(F)F)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000175225637 822908987 /nfs/dbraw/zinc/90/89/87/822908987.db2.gz QWAUUMBDORMFJW-CQSZACIVSA-N 0 0 397.368 4.372 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000055207479 822945847 /nfs/dbraw/zinc/94/58/47/822945847.db2.gz UZHFGMSCSJAPJK-UHFFFAOYSA-N 0 0 377.488 4.389 20 10 GICDRN CCn1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)c2cc(Cl)ccc21 ZINC000186755244 822950192 /nfs/dbraw/zinc/95/01/92/822950192.db2.gz SGCLTUAWWRBBKM-UHFFFAOYSA-N 0 0 397.906 4.013 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175398993 822959189 /nfs/dbraw/zinc/95/91/89/822959189.db2.gz QTVFLMYYTOEZEB-UXHICEINSA-N 0 0 399.560 4.146 20 10 GICDRN C[C@H](NCc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1O ZINC000186824418 822961911 /nfs/dbraw/zinc/96/19/11/822961911.db2.gz QAMQNNFLKRKABJ-NSHDSACASA-N 0 0 383.286 4.309 20 10 GICDRN COc1cc(C)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000186844165 822966173 /nfs/dbraw/zinc/96/61/73/822966173.db2.gz WKFSANUYAXGTNL-INIZCTEOSA-N 0 0 388.439 4.061 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2C)c(C)n1-c1ccccn1 ZINC000175477633 822978463 /nfs/dbraw/zinc/97/84/63/822978463.db2.gz WAHDITGJTOZCTO-UHFFFAOYSA-N 0 0 390.443 4.006 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000175675891 823017959 /nfs/dbraw/zinc/01/79/59/823017959.db2.gz SLZATENHTXTDFB-UWJYYQICSA-N 0 0 381.545 4.142 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000175675929 823018118 /nfs/dbraw/zinc/01/81/18/823018118.db2.gz SLZATENHTXTDFB-LAUBAEHRSA-N 0 0 381.545 4.142 20 10 GICDRN C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1cccs1 ZINC000175759809 823033262 /nfs/dbraw/zinc/03/32/62/823033262.db2.gz QXLZMVNXAXEILV-FUHWJXTLSA-N 0 0 388.533 4.023 20 10 GICDRN CCN(Cc1ccccc1)c1ccc(CNCc2nnc3n2CCCCC3)cc1 ZINC000060832955 823560927 /nfs/dbraw/zinc/56/09/27/823560927.db2.gz ZSCPNYMPGVZCLX-UHFFFAOYSA-N 0 0 389.547 4.321 20 10 GICDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000124233341 823579596 /nfs/dbraw/zinc/57/95/96/823579596.db2.gz FLSZTNYRAVSGIK-SJORKVTESA-N 0 0 378.394 4.071 20 10 GICDRN O=C(CCSCc1ccccn1)N(Cc1ccco1)Cc1ccccc1O ZINC000124346800 823589056 /nfs/dbraw/zinc/58/90/56/823589056.db2.gz SZEGUGYAMZGECA-UHFFFAOYSA-N 0 0 382.485 4.233 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccnc(OC2CCCC2)c1 ZINC000061898966 823617688 /nfs/dbraw/zinc/61/76/88/823617688.db2.gz ZQZRWMAJKUAWAP-UHFFFAOYSA-N 0 0 394.519 4.003 20 10 GICDRN Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000124737397 823622166 /nfs/dbraw/zinc/62/21/66/823622166.db2.gz RKPYWOXJUYRAHY-KRWDZBQOSA-N 0 0 377.488 4.112 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000190920127 823624593 /nfs/dbraw/zinc/62/45/93/823624593.db2.gz QJMMGEMFRIEQRF-MRXNPFEDSA-N 0 0 376.456 4.441 20 10 GICDRN CC(C)c1noc(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000190957793 823630351 /nfs/dbraw/zinc/63/03/51/823630351.db2.gz WGLUIZDGWUUIEJ-CYBMUJFWSA-N 0 0 396.447 4.024 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000190962698 823631178 /nfs/dbraw/zinc/63/11/78/823631178.db2.gz LSVZLRJUNUKDBH-LBPRGKRZSA-N 0 0 383.448 4.289 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000190967492 823632083 /nfs/dbraw/zinc/63/20/83/823632083.db2.gz WZROTEHVYLKRCM-MRXNPFEDSA-N 0 0 383.492 4.231 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191000469 823636783 /nfs/dbraw/zinc/63/67/83/823636783.db2.gz WBRQLIPFUMWDDK-NRFANRHFSA-N 0 0 397.494 4.481 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC)c(Cl)c1 ZINC000125033799 823646880 /nfs/dbraw/zinc/64/68/80/823646880.db2.gz OGNHVOMOCCAGHW-UHFFFAOYSA-N 0 0 375.900 4.146 20 10 GICDRN CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000125105559 823652001 /nfs/dbraw/zinc/65/20/01/823652001.db2.gz LNORYIMMNNYIIN-HXUWFJFHSA-N 0 0 384.476 4.393 20 10 GICDRN Cc1ccc(N2C(=O)/C(=C/c3cn(C)nc3-c3ccncc3)SC2=S)cc1 ZINC000063276525 823659161 /nfs/dbraw/zinc/65/91/61/823659161.db2.gz VVLHJWVYBDRGRH-BOPFTXTBSA-N 0 0 392.509 4.196 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3cc(C(F)(F)F)ccc3F)CC2)cc1 ZINC000125281049 823664508 /nfs/dbraw/zinc/66/45/08/823664508.db2.gz AXAVZLLBTWNOEM-UHFFFAOYSA-N 0 0 396.384 4.206 20 10 GICDRN O=C(c1ccn(-c2ccc(F)cc2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125289796 823665298 /nfs/dbraw/zinc/66/52/98/823665298.db2.gz AOEIJWLVKXRQEQ-UHFFFAOYSA-N 0 0 391.402 4.153 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1Br ZINC000125685499 823696597 /nfs/dbraw/zinc/69/65/97/823696597.db2.gz LGMJIKDRJKNGLX-UHFFFAOYSA-N 0 0 388.309 4.107 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000125723752 823700440 /nfs/dbraw/zinc/70/04/40/823700440.db2.gz MTGLADCCYLZEQS-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000125755787 823704661 /nfs/dbraw/zinc/70/46/61/823704661.db2.gz ZRZGOFHJUNENMG-UHFFFAOYSA-N 0 0 386.879 4.225 20 10 GICDRN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1Cl ZINC000163399105 823706421 /nfs/dbraw/zinc/70/64/21/823706421.db2.gz BMCJZCPBEXHVEM-ZDUSSCGKSA-N 0 0 399.844 4.441 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000125793274 823712021 /nfs/dbraw/zinc/71/20/21/823712021.db2.gz BFJACPCPNVJGNJ-UHFFFAOYSA-N 0 0 388.467 4.021 20 10 GICDRN C[C@@H]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCS1(=O)=O ZINC000191777457 823764796 /nfs/dbraw/zinc/76/47/96/823764796.db2.gz CZJZKZPKKBMQRY-UCMDFWOYSA-N 0 0 386.477 4.143 20 10 GICDRN Cc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164304875 823794725 /nfs/dbraw/zinc/79/47/25/823794725.db2.gz FYLXGSJOVUSMLQ-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000126159535 823802537 /nfs/dbraw/zinc/80/25/37/823802537.db2.gz FSDCOJPUHNQPSW-UHFFFAOYSA-N 0 0 379.504 4.192 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1F ZINC000126194176 823809861 /nfs/dbraw/zinc/80/98/61/823809861.db2.gz QDPIGZWHMZPLGP-CQSZACIVSA-N 0 0 391.487 4.078 20 10 GICDRN CSCCCN1C(=O)/C(=C/c2ccc(F)c3cccnc23)SC1=S ZINC000164672561 823815026 /nfs/dbraw/zinc/81/50/26/823815026.db2.gz VFZAFTJTPWQGLQ-UVTDQMKNSA-N 0 0 378.519 4.328 20 10 GICDRN COc1ccc2[nH]cc(C3=CCN(c4cc(C(C)C)nc(N(C)C)n4)CC3)c2c1 ZINC000462086497 823823886 /nfs/dbraw/zinc/82/38/86/823823886.db2.gz FTZHKPBLEFYCSI-UHFFFAOYSA-N 0 0 391.519 4.450 20 10 GICDRN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000165471870 823849814 /nfs/dbraw/zinc/84/98/14/823849814.db2.gz YEMQZITTWIUJBJ-KRWDZBQOSA-N 0 0 377.488 4.112 20 10 GICDRN C[C@@H](SCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000126379692 823852616 /nfs/dbraw/zinc/85/26/16/823852616.db2.gz FPRNIIAAZWCYCM-OAHLLOKOSA-N 0 0 382.533 4.082 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc(F)c1F ZINC000165566868 823854225 /nfs/dbraw/zinc/85/42/25/823854225.db2.gz OAQVPOGTWIABOR-HOCLYGCPSA-N 0 0 390.430 4.122 20 10 GICDRN O=C1O[C@H](CN(Cc2cccs2)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000192098524 823859636 /nfs/dbraw/zinc/85/96/36/823859636.db2.gz GPNAFFBHNTVYJD-INIZCTEOSA-N 0 0 385.485 4.012 20 10 GICDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC(F)(F)CC1 ZINC000126551955 823896684 /nfs/dbraw/zinc/89/66/84/823896684.db2.gz BTONVCCCMJBCQH-UHFFFAOYSA-N 0 0 388.405 4.199 20 10 GICDRN Cc1cc(C(=O)N2CCC(c3ccncc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000192272270 823926720 /nfs/dbraw/zinc/92/67/20/823926720.db2.gz HKNFACZVRMTZBL-UHFFFAOYSA-N 0 0 384.483 4.381 20 10 GICDRN CCc1nc2cc(NC(=O)NC3CCN(c4ccc(OC)cc4)CC3)ccc2o1 ZINC000170698620 823944467 /nfs/dbraw/zinc/94/44/67/823944467.db2.gz SIZIHDKLFKJRLO-UHFFFAOYSA-N 0 0 394.475 4.189 20 10 GICDRN Cc1ccc(CN(Cc2cn3cccnc3n2)c2ccc3c(c2)OCCO3)s1 ZINC000170726303 823955535 /nfs/dbraw/zinc/95/55/35/823955535.db2.gz YNKCHQUFXWXOSE-UHFFFAOYSA-N 0 0 392.484 4.077 20 10 GICDRN CC(C)c1cnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000192391792 823969165 /nfs/dbraw/zinc/96/91/65/823969165.db2.gz MZZHMBIJUAYEFN-OAHLLOKOSA-N 0 0 375.494 4.185 20 10 GICDRN CCCNc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000192438855 823993565 /nfs/dbraw/zinc/99/35/65/823993565.db2.gz NFYUNYODYUWYGP-UHFFFAOYSA-N 0 0 398.576 4.061 20 10 GICDRN Cc1ccc(-c2n[nH]cc2C=C2SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000192539791 824025271 /nfs/dbraw/zinc/02/52/71/824025271.db2.gz QGTFGWFDBGXVBU-SXGWCWSVSA-N 0 0 378.482 4.186 20 10 GICDRN COc1ccc(N2CCC(NC(=O)COc3cccc4ccccc43)CC2)cc1 ZINC000171018184 824038657 /nfs/dbraw/zinc/03/86/57/824038657.db2.gz CYFGKQDLFZTOAS-UHFFFAOYSA-N 0 0 390.483 4.012 20 10 GICDRN COc1cccc(CNc2ncnc3c2c(C)c(C)n3Cc2ccco2)c1O ZINC000171046075 824046978 /nfs/dbraw/zinc/04/69/78/824046978.db2.gz GDDLSJPLHRFDLJ-UHFFFAOYSA-N 0 0 378.432 4.016 20 10 GICDRN COc1ccc([C@@H](C)NC(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000359941369 206271958 /nfs/dbraw/zinc/27/19/58/206271958.db2.gz LNIGEURFLGXTKE-QGZVFWFLSA-N 0 0 397.519 4.075 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)cc1 ZINC000104907176 136191263 /nfs/dbraw/zinc/19/12/63/136191263.db2.gz UFABESNXNPKYKC-UHFFFAOYSA-N 0 0 383.250 4.104 20 10 GICDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000055840550 823051660 /nfs/dbraw/zinc/05/16/60/823051660.db2.gz ANQFFVGXXWXVHT-UHFFFAOYSA-N 0 0 391.471 4.057 20 10 GICDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccco1)Cc1ccccc1O ZINC000120761489 823058908 /nfs/dbraw/zinc/05/89/08/823058908.db2.gz IXWBGVKXNSFQTL-UHFFFAOYSA-N 0 0 386.791 4.389 20 10 GICDRN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1ccc(C)cc1 ZINC000120770771 823060725 /nfs/dbraw/zinc/06/07/25/823060725.db2.gz VBYZFJBVEQZRHK-UHFFFAOYSA-N 0 0 379.485 4.175 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187451167 823066180 /nfs/dbraw/zinc/06/61/80/823066180.db2.gz ULLQHDPLACDSTN-UHFFFAOYSA-N 0 0 378.394 4.284 20 10 GICDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000120819394 823070551 /nfs/dbraw/zinc/07/05/51/823070551.db2.gz BZLWBFUVPQPYLB-UHFFFAOYSA-N 0 0 398.440 4.215 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC[C@H]2CCOC2)cc1 ZINC000176046087 823105546 /nfs/dbraw/zinc/10/55/46/823105546.db2.gz PMUVWZWDIQFDAM-IBGZPJMESA-N 0 0 382.504 4.111 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(OC)nc2ccccc12 ZINC000176119038 823126464 /nfs/dbraw/zinc/12/64/64/823126464.db2.gz FXCYZSOEBPMIFQ-UHFFFAOYSA-N 0 0 379.460 4.071 20 10 GICDRN C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000187871416 823150310 /nfs/dbraw/zinc/15/03/10/823150310.db2.gz ZPOADXFQAVCVGC-CQSZACIVSA-N 0 0 376.447 4.048 20 10 GICDRN CN(CCC1CCOCC1)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000121272713 823152788 /nfs/dbraw/zinc/15/27/88/823152788.db2.gz PKNQMWLLCNTKRT-OCOZRVBESA-N 0 0 394.475 4.316 20 10 GICDRN Cc1cc(C(=O)N2CCC(n3ccnc3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176293993 823174663 /nfs/dbraw/zinc/17/46/63/823174663.db2.gz ZPSMDHHMNIPNAQ-UHFFFAOYSA-N 0 0 376.504 4.385 20 10 GICDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)c(F)cc1Br ZINC000121447164 823186158 /nfs/dbraw/zinc/18/61/58/823186158.db2.gz FASKLMXIOHGYCC-UHFFFAOYSA-N 0 0 383.236 4.032 20 10 GICDRN O=c1cc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)occ1O ZINC000121454653 823187616 /nfs/dbraw/zinc/18/76/16/823187616.db2.gz MRTVGTNSBPRERU-UHFFFAOYSA-N 0 0 380.425 4.143 20 10 GICDRN Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c(C)n1-c1cccc(C)c1 ZINC000176408718 823202066 /nfs/dbraw/zinc/20/20/66/823202066.db2.gz SAMKFANVJHQCPH-JOCHJYFZSA-N 0 0 396.531 4.203 20 10 GICDRN Cc1cc(C(=O)N2CCC(N3CCCCC3=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000121582015 823210572 /nfs/dbraw/zinc/21/05/72/823210572.db2.gz IIKHXASQNIZKHJ-UHFFFAOYSA-N 0 0 393.531 4.020 20 10 GICDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000056794085 823215049 /nfs/dbraw/zinc/21/50/49/823215049.db2.gz MHMSKGPYUZMFPJ-FQEVSTJZSA-N 0 0 397.544 4.154 20 10 GICDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2cccc(F)c2n1 ZINC000121657021 823224089 /nfs/dbraw/zinc/22/40/89/823224089.db2.gz UBHJRNGHJZUGDF-UHFFFAOYSA-N 0 0 383.442 4.395 20 10 GICDRN COc1ccc(-c2csc(CNC(=O)N(C)Cc3ccccc3O)c2)cc1 ZINC000176516643 823226793 /nfs/dbraw/zinc/22/67/93/823226793.db2.gz UVRDVZMVVIAUIO-UHFFFAOYSA-N 0 0 382.485 4.471 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3c[nH]cc3-c3ccc(C)s3)CC2)cc1 ZINC000188499962 823251615 /nfs/dbraw/zinc/25/16/15/823251615.db2.gz OBWTVPVZLPOETH-UHFFFAOYSA-N 0 0 395.528 4.413 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1OC(F)F ZINC000005174999 817557311 /nfs/dbraw/zinc/55/73/11/817557311.db2.gz AYLAKAHVJCXGMQ-UHFFFAOYSA-N 0 0 389.427 4.419 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@H](C)c2cccs2)cc1 ZINC000005643738 817603248 /nfs/dbraw/zinc/60/32/48/817603248.db2.gz VQHLYZFYESSPBT-MRXNPFEDSA-N 0 0 382.485 4.190 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000005693537 817609927 /nfs/dbraw/zinc/60/99/27/817609927.db2.gz YNYIZBIHZGHQCS-UHFFFAOYSA-N 0 0 386.810 4.321 20 10 GICDRN CCCOc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1OC ZINC000007166197 817778469 /nfs/dbraw/zinc/77/84/69/817778469.db2.gz AOKBOYBMMMSOLP-BOPFTXTBSA-N 0 0 386.498 4.285 20 10 GICDRN Cc1nn(-c2ccccc2)c(C)c1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000007587389 817875433 /nfs/dbraw/zinc/87/54/33/817875433.db2.gz OHUFXTVCDLOPKM-WQRHYEAKSA-N 0 0 392.509 4.290 20 10 GICDRN CC(C)[C@@H](C)N(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000122027061 823295819 /nfs/dbraw/zinc/29/58/19/823295819.db2.gz PRGCKBNZXCUSAN-OAHLLOKOSA-N 0 0 395.494 4.475 20 10 GICDRN Cc1cc(CCNC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccccc1 ZINC000011085451 818051488 /nfs/dbraw/zinc/05/14/88/818051488.db2.gz LWEUUWUGQVOMEQ-UHFFFAOYSA-N 0 0 386.451 4.173 20 10 GICDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647771 823318417 /nfs/dbraw/zinc/31/84/17/823318417.db2.gz KSFFAMDTVFXUGC-CYBMUJFWSA-N 0 0 386.496 4.404 20 10 GICDRN Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000014152166 818225318 /nfs/dbraw/zinc/22/53/18/818225318.db2.gz NEYYRGVHDWIJBN-AWEZNQCLSA-N 0 0 397.500 4.296 20 10 GICDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3cnc4ccccc43)c2C)cc1 ZINC000014737614 818263595 /nfs/dbraw/zinc/26/35/95/818263595.db2.gz PTNINIPNOQYVDQ-UHFFFAOYSA-N 0 0 387.439 4.113 20 10 GICDRN COCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)o1 ZINC000016197921 818406305 /nfs/dbraw/zinc/40/63/05/818406305.db2.gz DUNPFDDKJAVAPB-UHFFFAOYSA-N 0 0 385.391 4.012 20 10 GICDRN CCN1C(=O)/C(=C/c2c(C)nn(Cc3ccccc3)c2Cl)SC1=S ZINC000016404991 818437627 /nfs/dbraw/zinc/43/76/27/818437627.db2.gz QPUBULLDRUEPAO-NTEUORMPSA-N 0 0 377.922 4.114 20 10 GICDRN CCCOc1c(Cl)cc(C(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000018215008 818557454 /nfs/dbraw/zinc/55/74/54/818557454.db2.gz PWGSUWDTHYEQSO-UHFFFAOYSA-N 0 0 376.884 4.133 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)cc1F ZINC000122376565 823346042 /nfs/dbraw/zinc/34/60/42/823346042.db2.gz DFJKDIDTZBCGFW-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000022136444 818775754 /nfs/dbraw/zinc/77/57/54/818775754.db2.gz OLCDYOHUILLYFP-FQEVSTJZSA-N 0 0 393.531 4.082 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1F ZINC000122507029 823364577 /nfs/dbraw/zinc/36/45/77/823364577.db2.gz ODPWRYUMPRQPQB-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000058235954 823370652 /nfs/dbraw/zinc/37/06/52/823370652.db2.gz XOJDHYDAQVRFIV-AWEZNQCLSA-N 0 0 394.450 4.215 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1OC(C)C ZINC000023215582 818911054 /nfs/dbraw/zinc/91/10/54/818911054.db2.gz KYKGADNDRZHCAY-YVLHZVERSA-N 0 0 386.498 4.283 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NCc2nc(C3CC3)cs2)cc1F ZINC000122689533 823395231 /nfs/dbraw/zinc/39/52/31/823395231.db2.gz BISMFZYNHFCVSZ-UHFFFAOYSA-N 0 0 376.501 4.005 20 10 GICDRN C[C@@H](c1ccccc1F)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122690906 823395619 /nfs/dbraw/zinc/39/56/19/823395619.db2.gz DDFCTRXMGHWPJC-INIZCTEOSA-N 0 0 387.524 4.282 20 10 GICDRN COc1ccc(N2CCC(NC(=O)CCCc3cc(C)sc3C)CC2)cc1 ZINC000177219591 823402462 /nfs/dbraw/zinc/40/24/62/823402462.db2.gz MTFISTLRHFRZKI-UHFFFAOYSA-N 0 0 386.561 4.481 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000122737729 823403100 /nfs/dbraw/zinc/40/31/00/823403100.db2.gz MFJVCTNVVGMZOI-UHFFFAOYSA-N 0 0 381.929 4.170 20 10 GICDRN CO[C@H](C)c1noc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1 ZINC000177262886 823413392 /nfs/dbraw/zinc/41/33/92/823413392.db2.gz LCNJARUWKZJIGP-LLVKDONJSA-N 0 0 398.410 4.495 20 10 GICDRN CC[C@@H](C)n1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000122819810 823418072 /nfs/dbraw/zinc/41/80/72/823418072.db2.gz UDWDWMNISLBZSE-MRXNPFEDSA-N 0 0 396.535 4.139 20 10 GICDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189448504 823419389 /nfs/dbraw/zinc/41/93/89/823419389.db2.gz UPZAWZBYJLVQFQ-QGZVFWFLSA-N 0 0 398.466 4.182 20 10 GICDRN c1ccc(OC[C@H]2CCCCO2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000122837447 823420924 /nfs/dbraw/zinc/42/09/24/823420924.db2.gz RSXKVHYWMFLQSW-OAQYLSRUSA-N 0 0 382.504 4.083 20 10 GICDRN Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000025204545 819943541 /nfs/dbraw/zinc/94/35/41/819943541.db2.gz KFDMKCRQUCKACB-UHFFFAOYSA-N 0 0 399.497 4.125 20 10 GICDRN Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000026019010 820049344 /nfs/dbraw/zinc/04/93/44/820049344.db2.gz PRKNXEODAMCTIM-UHFFFAOYSA-N 0 0 395.459 4.196 20 10 GICDRN Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000026858875 820154572 /nfs/dbraw/zinc/15/45/72/820154572.db2.gz WBRXEHMIFQVYPQ-UHFFFAOYSA-N 0 0 381.303 4.040 20 10 GICDRN COc1ccc(SCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000027157245 820202570 /nfs/dbraw/zinc/20/25/70/820202570.db2.gz MQTGLNGYTPZFTR-UHFFFAOYSA-N 0 0 384.545 4.436 20 10 GICDRN COc1cccc([C@@H](C)CC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000177604470 823499742 /nfs/dbraw/zinc/49/97/42/823499742.db2.gz SXUSZXSTAQYLSQ-KRWDZBQOSA-N 0 0 384.545 4.058 20 10 GICDRN C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000060106009 823508586 /nfs/dbraw/zinc/50/85/86/823508586.db2.gz RBSZEKQJWMEGKZ-AWEZNQCLSA-N 0 0 378.394 4.033 20 10 GICDRN CN(C)c1ccc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000031726364 820852107 /nfs/dbraw/zinc/85/21/07/820852107.db2.gz FYETWWYQQOQVSR-UHFFFAOYSA-N 0 0 394.544 4.452 20 10 GICDRN COc1ccc(CC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000038615551 821098182 /nfs/dbraw/zinc/09/81/82/821098182.db2.gz LDPNTKQTXNSLLA-UHFFFAOYSA-N 0 0 378.472 4.126 20 10 GICDRN Cn1ccc2cccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c21 ZINC000190084679 823535607 /nfs/dbraw/zinc/53/56/07/823535607.db2.gz NSMDNHKHYJCNNO-SFHVURJKSA-N 0 0 379.460 4.097 20 10 GICDRN CCCc1csc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000180671004 821389586 /nfs/dbraw/zinc/38/95/86/821389586.db2.gz XRPRVUTWTLNFEZ-MRXNPFEDSA-N 0 0 375.494 4.014 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000180947028 821551517 /nfs/dbraw/zinc/55/15/17/821551517.db2.gz GXFDLGJLCDHZPR-ZZXKWVIFSA-N 0 0 388.395 4.075 20 10 GICDRN COc1ccccc1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000181055766 821612756 /nfs/dbraw/zinc/61/27/56/821612756.db2.gz YUFHSLLJUIFXJS-HJSOSKBTSA-N 0 0 375.424 4.025 20 10 GICDRN COc1ccc(-c2csc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c2)cc1 ZINC000181152934 821666312 /nfs/dbraw/zinc/66/63/12/821666312.db2.gz BFZIWPVQZMIDTP-YCRREMRBSA-N 0 0 381.453 4.165 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1[O-] ZINC000181313236 821751939 /nfs/dbraw/zinc/75/19/39/821751939.db2.gz YKZVIRFNTBNQJH-GFCCVEGCSA-N 0 0 388.851 4.056 20 10 GICDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCSc1nccs1 ZINC000181341954 821773241 /nfs/dbraw/zinc/77/32/41/821773241.db2.gz ZWKODZLPBWDMGP-UHFFFAOYSA-N 0 0 397.547 4.464 20 10 GICDRN O=C(CCc1ccc2[nH]ccc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181491656 821850625 /nfs/dbraw/zinc/85/06/25/821850625.db2.gz QORWBVNTPICADI-HXUWFJFHSA-N 0 0 378.472 4.014 20 10 GICDRN Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181578467 821886907 /nfs/dbraw/zinc/88/69/07/821886907.db2.gz BNUWAYGUULWTJT-GOSISDBHSA-N 0 0 391.515 4.465 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCNC(=O)OC(C)(C)C ZINC000181579629 821887201 /nfs/dbraw/zinc/88/72/01/821887201.db2.gz SBGHELPFDOCJDU-KRWDZBQOSA-N 0 0 398.503 4.397 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCNC(=O)OC(C)(C)C ZINC000181579649 821887360 /nfs/dbraw/zinc/88/73/60/821887360.db2.gz SBGHELPFDOCJDU-QGZVFWFLSA-N 0 0 398.503 4.397 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)c1 ZINC000181582513 821888982 /nfs/dbraw/zinc/88/89/82/821888982.db2.gz YJEHSEDQTITHMF-SFHVURJKSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(N(C)C)nc1 ZINC000181585683 821890578 /nfs/dbraw/zinc/89/05/78/821890578.db2.gz MWCGYMJJHOMUAV-QGZVFWFLSA-N 0 0 375.472 4.257 20 10 GICDRN COCc1noc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000182371991 822218954 /nfs/dbraw/zinc/21/89/54/822218954.db2.gz ZAVPFDYHPFAXEY-UHFFFAOYSA-N 0 0 382.445 4.013 20 10 GICDRN COc1ccc(O)c([C@@H](C)NCc2csc(N(C(C)=O)c3ccccc3)n2)c1 ZINC000182381241 822222565 /nfs/dbraw/zinc/22/25/65/822222565.db2.gz ZEOYEWXYJDUSPL-CQSZACIVSA-N 0 0 397.500 4.393 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000178048289 822299024 /nfs/dbraw/zinc/29/90/24/822299024.db2.gz AFEMYWCRVAXBQR-UHFFFAOYSA-N 0 0 378.428 4.041 20 10 GICDRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-n4cncn4)c(F)c3)S2)c(C)c1 ZINC000045799416 822414719 /nfs/dbraw/zinc/41/47/19/822414719.db2.gz KUGFLXMENJXDTM-GIJQJNRQSA-N 0 0 393.447 4.106 20 10 GICDRN C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCCCC2)cc1 ZINC000183041693 822416285 /nfs/dbraw/zinc/41/62/85/822416285.db2.gz KBQFSJOHHGBXAA-GOSISDBHSA-N 0 0 381.520 4.317 20 10 GICDRN CC(C)n1ncc2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc21 ZINC000183054519 822418174 /nfs/dbraw/zinc/41/81/74/822418174.db2.gz IDEYZIYOVOHDSN-UHFFFAOYSA-N 0 0 379.464 4.114 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000183197354 822440055 /nfs/dbraw/zinc/44/00/55/822440055.db2.gz RLRAVVUSOBALRK-UHFFFAOYSA-N 0 0 378.432 4.202 20 10 GICDRN Cc1cc([C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CCO2)ccc1F ZINC000179308786 822464001 /nfs/dbraw/zinc/46/40/01/822464001.db2.gz GMKYQZYMOIJTSS-JOCHJYFZSA-N 0 0 397.494 4.017 20 10 GICDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccc(C(F)(F)F)cc1 ZINC000183438957 822474889 /nfs/dbraw/zinc/47/48/89/822474889.db2.gz XCZLEGKVSAMTEU-OLZOCXBDSA-N 0 0 381.394 4.358 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000183451945 822477059 /nfs/dbraw/zinc/47/70/59/822477059.db2.gz LHOMGFFMQLUKDE-CHWSQXEVSA-N 0 0 381.394 4.358 20 10 GICDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183698767 822513415 /nfs/dbraw/zinc/51/34/15/822513415.db2.gz NKJJWSJRDBOQBG-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000046983963 822535022 /nfs/dbraw/zinc/53/50/22/822535022.db2.gz GYBGFLDXKSFMOH-HXUWFJFHSA-N 0 0 399.560 4.239 20 10 GICDRN CN(Cc1ccccc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036803 822538679 /nfs/dbraw/zinc/53/86/79/822538679.db2.gz ZBHNMSXUPVMMHD-UHFFFAOYSA-N 0 0 389.952 4.235 20 10 GICDRN C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179762466 822546097 /nfs/dbraw/zinc/54/60/97/822546097.db2.gz QQVGPJOUMVJWNK-UHFFFAOYSA-N 0 0 381.303 4.168 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000184031740 822567659 /nfs/dbraw/zinc/56/76/59/822567659.db2.gz KIBSLXJNJYJTRR-IRLDBZIGSA-N 0 0 379.504 4.006 20 10 GICDRN NC(=O)c1cccc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000047439089 822579091 /nfs/dbraw/zinc/57/90/91/822579091.db2.gz IYGYFXDEVBQWPF-LJQANCHMSA-N 0 0 393.512 4.120 20 10 GICDRN O=C(Nc1ccccc1-n1cccn1)N(Cc1ccco1)Cc1ccccc1O ZINC000047539409 822588527 /nfs/dbraw/zinc/58/85/27/822588527.db2.gz FKTXOECFYSTPDN-UHFFFAOYSA-N 0 0 388.427 4.405 20 10 GICDRN COc1cccc2[nH]cc(CC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)c21 ZINC000180039592 822602703 /nfs/dbraw/zinc/60/27/03/822602703.db2.gz YSJXFNVMGZWKQF-UHFFFAOYSA-N 0 0 391.515 4.368 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000180068342 822608528 /nfs/dbraw/zinc/60/85/28/822608528.db2.gz UJYAONOUAUCEKH-DLBZAZTESA-N 0 0 389.565 4.144 20 10 GICDRN Cc1csc([C@H](C)CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000184699176 822678514 /nfs/dbraw/zinc/67/85/14/822678514.db2.gz UWFVCKQHKORCHL-CYBMUJFWSA-N 0 0 378.501 4.264 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc(CN3C(=O)CCCC3=O)cc2)cc1 ZINC000184815936 822694808 /nfs/dbraw/zinc/69/48/08/822694808.db2.gz XGXWUHWPIHASAT-UHFFFAOYSA-N 0 0 379.504 4.184 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000180608522 822711363 /nfs/dbraw/zinc/71/13/63/822711363.db2.gz LQLRCXSLCMZZAZ-KRXBUXKQSA-N 0 0 377.425 4.126 20 10 GICDRN COc1ccc(N(Cc2ccco2)Cc2cc(-c3cnn(C)c3)no2)cc1F ZINC000185035955 822727690 /nfs/dbraw/zinc/72/76/90/822727690.db2.gz WAMIAFUJRXACKX-UHFFFAOYSA-N 0 0 382.395 4.023 20 10 GICDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000174292286 822764620 /nfs/dbraw/zinc/76/46/20/822764620.db2.gz HWICJGTXWJIGMO-RBBKRZOGSA-N 0 0 381.520 4.028 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCOc1cccc2ccccc21 ZINC000185386351 822776511 /nfs/dbraw/zinc/77/65/11/822776511.db2.gz OIJFXQZFPIDPLA-MRXNPFEDSA-N 0 0 379.456 4.157 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185424277 822782035 /nfs/dbraw/zinc/78/20/35/822782035.db2.gz QGSBSWVPQYWHRE-LJQANCHMSA-N 0 0 387.842 4.000 20 10 GICDRN CN1CCCc2cc([C@@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)ccc21 ZINC000052118435 822790942 /nfs/dbraw/zinc/79/09/42/822790942.db2.gz QQFZQGDMGVTQHW-HSZRJFAPSA-N 0 0 384.483 4.231 20 10 GICDRN CS(=O)(=O)CCCCCNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000185657436 822807529 /nfs/dbraw/zinc/80/75/29/822807529.db2.gz WPBJKQANAKQOJG-GHVJWSGMSA-N 0 0 388.493 4.438 20 10 GICDRN CC[C@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000174606536 822811617 /nfs/dbraw/zinc/81/16/17/822811617.db2.gz FIJOIOQIFVKGJL-OAQYLSRUSA-N 0 0 395.547 4.327 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)cc1 ZINC000174607410 822811802 /nfs/dbraw/zinc/81/18/02/822811802.db2.gz LKXCAJBNRRYASB-UTKZUKDTSA-N 0 0 397.519 4.440 20 10 GICDRN C[C@H](NCc1cc(Br)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668278 822821050 /nfs/dbraw/zinc/82/10/50/822821050.db2.gz FJAZVDWHHKBUKC-JTQLQIEISA-N 0 0 392.228 4.195 20 10 GICDRN CCC(CC)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000174726693 822829078 /nfs/dbraw/zinc/82/90/78/822829078.db2.gz YNUGQHNRUBKMNO-UHFFFAOYSA-N 0 0 394.559 4.270 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000174870055 822848959 /nfs/dbraw/zinc/84/89/59/822848959.db2.gz DPOPMGIARRNXDQ-GFCCVEGCSA-N 0 0 393.281 4.153 20 10 GICDRN Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1-c1cccc(C(F)(F)F)c1 ZINC000053915900 822852968 /nfs/dbraw/zinc/85/29/68/822852968.db2.gz OYLIWWUPSQZCKT-UHFFFAOYSA-N 0 0 389.377 4.177 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1Cl ZINC000054035535 822860192 /nfs/dbraw/zinc/86/01/92/822860192.db2.gz QUVSCQXRZGYXPP-UHFFFAOYSA-N 0 0 381.328 4.477 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1C(F)(F)F ZINC000054035252 822860196 /nfs/dbraw/zinc/86/01/96/822860196.db2.gz XOVWAYWTGCXEIH-UHFFFAOYSA-N 0 0 380.435 4.189 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Br)nc1 ZINC000175014203 822867512 /nfs/dbraw/zinc/86/75/12/822867512.db2.gz KALVKDUZDVMLBG-UHFFFAOYSA-N 0 0 388.309 4.107 20 10 GICDRN CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cc(Br)ccc2O)c1 ZINC000186291244 822871898 /nfs/dbraw/zinc/87/18/98/822871898.db2.gz WRPQWUGOCCGGQV-RYUDHWBXSA-N 0 0 393.281 4.301 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000186375006 822883866 /nfs/dbraw/zinc/88/38/66/822883866.db2.gz DQKPREWMBSXTRN-KRWDZBQOSA-N 0 0 391.467 4.281 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCc1nc2ccccc2s1 ZINC000186438278 822895476 /nfs/dbraw/zinc/89/54/76/822895476.db2.gz RJSQLGWCUFFXGF-AWEZNQCLSA-N 0 0 384.501 4.168 20 10 GICDRN COc1cccc(CNC(=O)CCc2cc(Cl)ccc2Br)c1O ZINC000175216290 822906552 /nfs/dbraw/zinc/90/65/52/822906552.db2.gz RZYPRMUNHOTEFV-UHFFFAOYSA-N 0 0 398.684 4.066 20 10 GICDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1cccc(OC)c1O ZINC000186565591 822913975 /nfs/dbraw/zinc/91/39/75/822913975.db2.gz BDHSIBQQVIXPAS-UHFFFAOYSA-N 0 0 386.492 4.027 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(NC(C)=O)ccc1Cl ZINC000175390309 822956370 /nfs/dbraw/zinc/95/63/70/822956370.db2.gz IDJRZDZKIRFVQC-UHFFFAOYSA-N 0 0 375.856 4.448 20 10 GICDRN COc1ccc(N2CCN([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000055527129 822974918 /nfs/dbraw/zinc/97/49/18/822974918.db2.gz SWLWQLTZZYODLO-INIZCTEOSA-N 0 0 396.466 4.076 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)s1 ZINC000055530731 822975385 /nfs/dbraw/zinc/97/53/85/822975385.db2.gz HHCLLDMBMPFXNC-STQMWFEESA-N 0 0 376.497 4.048 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175570077 822999590 /nfs/dbraw/zinc/99/95/90/822999590.db2.gz AJSZVSRFWWNBKC-RYUDHWBXSA-N 0 0 398.381 4.421 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000175639680 823011134 /nfs/dbraw/zinc/01/11/34/823011134.db2.gz VNMSVVIROAILKE-SFHVURJKSA-N 0 0 389.503 4.033 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NCc2coc(-c3ccccc3)n2)cc1 ZINC000175642187 823011501 /nfs/dbraw/zinc/01/15/01/823011501.db2.gz WVHVQFJDGUHDHJ-UHFFFAOYSA-N 0 0 378.476 4.187 20 10 GICDRN COc1ccc(N2CCCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175714807 823025974 /nfs/dbraw/zinc/02/59/74/823025974.db2.gz YRPVDASAGCVQOL-CQSZACIVSA-N 0 0 378.925 4.253 20 10 GICDRN CC(C)c1ncc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)s1 ZINC000123936202 823553139 /nfs/dbraw/zinc/55/31/39/823553139.db2.gz QCAPUACAUZOWLQ-NTEUORMPSA-N 0 0 375.544 4.105 20 10 GICDRN O=C1/C(=C\c2ccc(OCC3CC3)cc2)SC(=S)N1CCc1cccnc1 ZINC000190403434 823569707 /nfs/dbraw/zinc/56/97/07/823569707.db2.gz IFABJMNUXDIQSI-XDHOZWIPSA-N 0 0 396.537 4.314 20 10 GICDRN CC(C)CCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000124646218 823613802 /nfs/dbraw/zinc/61/38/02/823613802.db2.gz QHUKOUMRPLQSKB-QINSGFPZSA-N 0 0 396.603 4.234 20 10 GICDRN Cc1ccc(CCCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000124651292 823614304 /nfs/dbraw/zinc/61/43/04/823614304.db2.gz MUNMREYBQIQSHB-UHFFFAOYSA-N 0 0 398.522 4.124 20 10 GICDRN Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000124657647 823614823 /nfs/dbraw/zinc/61/48/23/823614823.db2.gz OREAQZDLCVROHU-WOJBJXKFSA-N 0 0 395.547 4.165 20 10 GICDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(O)cc(Br)c1O ZINC000124761118 823624128 /nfs/dbraw/zinc/62/41/28/823624128.db2.gz LRJVAYCGGTWUFN-HNNXBMFYSA-N 0 0 397.656 4.100 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1CCCCCC1 ZINC000190930109 823626138 /nfs/dbraw/zinc/62/61/38/823626138.db2.gz OVCMSKNMOLZRLG-MRXNPFEDSA-N 0 0 383.492 4.231 20 10 GICDRN Cc1nc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc2o1 ZINC000124863901 823632216 /nfs/dbraw/zinc/63/22/16/823632216.db2.gz ARMUGKHOHWNQHO-QGZVFWFLSA-N 0 0 381.432 4.055 20 10 GICDRN CC(=O)N(C)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000062454127 823635870 /nfs/dbraw/zinc/63/58/70/823635870.db2.gz ZGQDOASFGJKZFP-UHFFFAOYSA-N 0 0 393.443 4.202 20 10 GICDRN O=C(Nc1cccc(OC(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000125016819 823645370 /nfs/dbraw/zinc/64/53/70/823645370.db2.gz INWPMZPGQNUISD-QGZVFWFLSA-N 0 0 392.402 4.207 20 10 GICDRN COC(=O)c1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125031248 823646715 /nfs/dbraw/zinc/64/67/15/823646715.db2.gz LQBLVVRSTNIPMN-UHFFFAOYSA-N 0 0 380.400 4.006 20 10 GICDRN Cc1ccc(-c2n[nH]cc2C=C2SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000125190400 823658040 /nfs/dbraw/zinc/65/80/40/823658040.db2.gz QGTFGWFDBGXVBU-CXUHLZMHSA-N 0 0 378.482 4.186 20 10 GICDRN COc1cccc(CO[C@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125300461 823666262 /nfs/dbraw/zinc/66/62/62/823666262.db2.gz IDDCJZMRJZTJIP-QGZVFWFLSA-N 0 0 395.455 4.128 20 10 GICDRN O=C(c1cnn(Cc2ccccc2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000125310550 823666839 /nfs/dbraw/zinc/66/68/39/823666839.db2.gz ZVSGFDGHVMRWOQ-UHFFFAOYSA-N 0 0 387.439 4.073 20 10 GICDRN Cc1cc(Br)oc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125346666 823669665 /nfs/dbraw/zinc/66/96/65/823669665.db2.gz NUDYOABXYQBUTR-UHFFFAOYSA-N 0 0 390.233 4.492 20 10 GICDRN c1nc(SCc2nnc(C3CC3)o2)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000063536040 823678130 /nfs/dbraw/zinc/67/81/30/823678130.db2.gz SIBXJQIKNYSMNE-INIZCTEOSA-N 0 0 382.489 4.282 20 10 GICDRN Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c(C)n1-c1ccccc1Br ZINC000063837723 823700656 /nfs/dbraw/zinc/70/06/56/823700656.db2.gz LJBRDTXPCQTZCS-UHFFFAOYSA-N 0 0 387.281 4.449 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000125726924 823700761 /nfs/dbraw/zinc/70/07/61/823700761.db2.gz CXRVUFQGRMGZAC-UHFFFAOYSA-N 0 0 394.393 4.097 20 10 GICDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H]1COc2ccccc21 ZINC000163481739 823714507 /nfs/dbraw/zinc/71/45/07/823714507.db2.gz HFZYJNNVZGNEKG-UZLBHIALSA-N 0 0 392.455 4.262 20 10 GICDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164250554 823789947 /nfs/dbraw/zinc/78/99/47/823789947.db2.gz CFUIEQDUTCSUPN-UHFFFAOYSA-N 0 0 381.479 4.088 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000126503692 823885667 /nfs/dbraw/zinc/88/56/67/823885667.db2.gz ITZPNESSLRYYMP-UHFFFAOYSA-N 0 0 378.476 4.137 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC000170731866 823957119 /nfs/dbraw/zinc/95/71/19/823957119.db2.gz WAHSSRIZZCHEDJ-UHFFFAOYSA-N 0 0 383.517 4.238 20 10 GICDRN O=C(Nc1cc(C(F)(F)F)ccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000192422466 823985004 /nfs/dbraw/zinc/98/50/04/823985004.db2.gz VQSQPNACFYRDMB-OAHLLOKOSA-N 0 0 395.381 4.019 20 10 GICDRN CCN(c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1)C(C)C ZINC000192589007 824039294 /nfs/dbraw/zinc/03/92/94/824039294.db2.gz PFLCCNUFJWKWKL-UHFFFAOYSA-N 0 0 396.535 4.284 20 10 GICDRN Cc1oc(-c2ccsc2)nc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171020707 824039727 /nfs/dbraw/zinc/03/97/27/824039727.db2.gz DTIKQEKWPDVLDQ-UHFFFAOYSA-N 0 0 381.501 4.171 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccccc1OC ZINC000175846872 823054076 /nfs/dbraw/zinc/05/40/76/823054076.db2.gz BPARJJCRXIZXOZ-UHFFFAOYSA-N 0 0 392.293 4.145 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)c1cccc(OC)c1 ZINC000175847556 823054369 /nfs/dbraw/zinc/05/43/69/823054369.db2.gz KRLCDNYGVHCCOX-CYBMUJFWSA-N 0 0 392.293 4.316 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3cc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000055878384 823059202 /nfs/dbraw/zinc/05/92/02/823059202.db2.gz JOMORHQOQKGANH-UHFFFAOYSA-N 0 0 391.471 4.011 20 10 GICDRN CSCCCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S ZINC000121000693 823100615 /nfs/dbraw/zinc/10/06/15/823100615.db2.gz CMKXLBYWZHFQCC-VQHVLOKHSA-N 0 0 394.406 4.465 20 10 GICDRN CCCn1ncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C1CC1 ZINC000121145722 823126822 /nfs/dbraw/zinc/12/68/22/823126822.db2.gz OXQIMVIWBUGCFL-UHFFFAOYSA-N 0 0 380.536 4.433 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cc(-c4ccccc4)on3)CC2)cc1 ZINC000176202096 823151444 /nfs/dbraw/zinc/15/14/44/823151444.db2.gz MGDAFVACZGBWGR-UHFFFAOYSA-N 0 0 392.459 4.094 20 10 GICDRN C[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121311706 823160654 /nfs/dbraw/zinc/16/06/54/823160654.db2.gz VVCVKAJBHKMQEO-FRRXJZEGSA-N 0 0 394.587 4.131 20 10 GICDRN CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000121350941 823168468 /nfs/dbraw/zinc/16/84/68/823168468.db2.gz VPHHOCATKYUQDK-UHFFFAOYSA-N 0 0 387.650 4.450 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000121352615 823168779 /nfs/dbraw/zinc/16/87/79/823168779.db2.gz CIWQICNAQNTNQB-NFBKMPQASA-N 0 0 391.515 4.030 20 10 GICDRN Cc1cc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c(C)n1-c1cccc(C)c1 ZINC000176408702 823201998 /nfs/dbraw/zinc/20/19/98/823201998.db2.gz SAMKFANVJHQCPH-QFIPXVFZSA-N 0 0 396.531 4.203 20 10 GICDRN CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000121577217 823209600 /nfs/dbraw/zinc/20/96/00/823209600.db2.gz QHENZPGXGJKXMP-DLBZAZTESA-N 0 0 396.535 4.059 20 10 GICDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000056794084 823214999 /nfs/dbraw/zinc/21/49/99/823214999.db2.gz MHMSKGPYUZMFPJ-HXUWFJFHSA-N 0 0 397.544 4.154 20 10 GICDRN COCCn1nc(C)c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1C ZINC000176552224 823235361 /nfs/dbraw/zinc/23/53/61/823235361.db2.gz SZLWXCNHISFPJV-UHFFFAOYSA-N 0 0 380.492 4.115 20 10 GICDRN O=C1/C(=C\c2ccc(Br)c(F)c2)SC(=S)N1c1cccnc1 ZINC000121783824 823250528 /nfs/dbraw/zinc/25/05/28/823250528.db2.gz SDLIDCLJMKOLHU-NTUHNPAUSA-N 0 0 395.278 4.389 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C(F)(F)F)cc2C)c1 ZINC000188593245 823268620 /nfs/dbraw/zinc/26/86/20/823268620.db2.gz RPZKMDRPOMCLGI-GFCCVEGCSA-N 0 0 382.382 4.288 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000121888632 823270679 /nfs/dbraw/zinc/27/06/79/823270679.db2.gz CPACZPSBWZXHDL-UGKGYDQZSA-N 0 0 399.510 4.391 20 10 GICDRN Cc1ccc(SCCNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000005165982 817556315 /nfs/dbraw/zinc/55/63/15/817556315.db2.gz GWLOXOGGYGJXOB-UHFFFAOYSA-N 0 0 397.569 4.396 20 10 GICDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005175030 817557371 /nfs/dbraw/zinc/55/73/71/817557371.db2.gz WOPYMZXBOSEOHY-UHFFFAOYSA-N 0 0 382.445 4.035 20 10 GICDRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 ZINC000005710450 817611961 /nfs/dbraw/zinc/61/19/61/817611961.db2.gz JDPJZTLEGDJLKO-SFQUDFHCSA-N 0 0 399.493 4.278 20 10 GICDRN COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000006388464 817686871 /nfs/dbraw/zinc/68/68/71/817686871.db2.gz REHOBGJKXVTKED-NRFANRHFSA-N 0 0 399.560 4.139 20 10 GICDRN COc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000006714175 817716989 /nfs/dbraw/zinc/71/69/89/817716989.db2.gz NPJSLILCRBTWNT-NRFANRHFSA-N 0 0 399.560 4.139 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccc[nH]2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000007104529 817760617 /nfs/dbraw/zinc/76/06/17/817760617.db2.gz FHYUXXRHNAHUNO-UHFFFAOYSA-N 0 0 388.370 4.063 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC#N ZINC000007165971 817777835 /nfs/dbraw/zinc/77/78/35/817777835.db2.gz VASPVMLKOVLKNQ-PDGQHHTCSA-N 0 0 396.493 4.312 20 10 GICDRN COc1ccc(N2CCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000122003879 823291576 /nfs/dbraw/zinc/29/15/76/823291576.db2.gz SOHXKGPFSSVZLK-INIZCTEOSA-N 0 0 396.466 4.076 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 ZINC000188711414 823290527 /nfs/dbraw/zinc/29/05/27/823290527.db2.gz FLKWKTZHWLCZLA-KRWDZBQOSA-N 0 0 377.492 4.026 20 10 GICDRN CCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C ZINC000007371853 817826475 /nfs/dbraw/zinc/82/64/75/817826475.db2.gz BRRLAGUQIHYKQO-UHFFFAOYSA-N 0 0 392.887 4.473 20 10 GICDRN COc1ccc(N2CCC(NC(=O)C[C@H](C)c3ccc(F)cc3F)CC2)cc1 ZINC000122021448 823294438 /nfs/dbraw/zinc/29/44/38/823294438.db2.gz RPJKOMBRNUZQIT-HNNXBMFYSA-N 0 0 388.458 4.252 20 10 GICDRN COc1ccc(N2CCC(NC(=O)CCOc3ccccc3C(C)C)CC2)cc1 ZINC000122023899 823294840 /nfs/dbraw/zinc/29/48/40/823294840.db2.gz NBTVLNNEVGDMTG-UHFFFAOYSA-N 0 0 396.531 4.373 20 10 GICDRN OCC1CCN(c2ccc(CNc3ncnc4cc(Cl)ccc43)cc2)CC1 ZINC000122086096 823304145 /nfs/dbraw/zinc/30/41/45/823304145.db2.gz FFTYMMPTJCQONC-UHFFFAOYSA-N 0 0 382.895 4.104 20 10 GICDRN CCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000012646358 818174165 /nfs/dbraw/zinc/17/41/65/818174165.db2.gz YVYYDHFLQRIIAB-UHFFFAOYSA-N 0 0 397.500 4.072 20 10 GICDRN O=C(c1ccccc1)c1cc(Cl)ccc1NCc1cc(=O)n2ccsc2n1 ZINC000015291697 818307346 /nfs/dbraw/zinc/30/73/46/818307346.db2.gz PDECFPGLJKYIQU-UHFFFAOYSA-N 0 0 395.871 4.253 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000015388582 818320106 /nfs/dbraw/zinc/32/01/06/818320106.db2.gz PVQBUGSGOHFUHY-UHFFFAOYSA-N 0 0 395.890 4.458 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000016498507 818449890 /nfs/dbraw/zinc/44/98/90/818449890.db2.gz FSTNVDWUVWLRID-UHFFFAOYSA-N 0 0 376.504 4.144 20 10 GICDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1NC(=O)c1ccco1 ZINC000018150494 818551144 /nfs/dbraw/zinc/55/11/44/818551144.db2.gz JMOUMFNHYGSDEV-UHFFFAOYSA-N 0 0 391.471 4.179 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1F ZINC000122456911 823357281 /nfs/dbraw/zinc/35/72/81/823357281.db2.gz SPNJITITEWIALB-UHFFFAOYSA-N 0 0 385.483 4.486 20 10 GICDRN COc1ccc(N2CCCN(C(=O)C3(Cc4ccccc4)CCC3)CC2)cc1 ZINC000177207633 823399428 /nfs/dbraw/zinc/39/94/28/823399428.db2.gz VBRHAPWNEWWCHR-UHFFFAOYSA-N 0 0 378.516 4.147 20 10 GICDRN COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc([N+](=O)[O-])c1C ZINC000189362108 823401088 /nfs/dbraw/zinc/40/10/88/823401088.db2.gz HVUVMVOVPOTZAS-UHFFFAOYSA-N 0 0 396.399 4.053 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1cc2ccccc2s1 ZINC000177261974 823412995 /nfs/dbraw/zinc/41/29/95/823412995.db2.gz GBPCMIHRQDEOAZ-IBGZPJMESA-N 0 0 395.528 4.034 20 10 GICDRN CO[C@@H](C)c1noc(CSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1 ZINC000177262874 823413434 /nfs/dbraw/zinc/41/34/34/823413434.db2.gz LCNJARUWKZJIGP-NSHDSACASA-N 0 0 398.410 4.495 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1F ZINC000189447657 823419030 /nfs/dbraw/zinc/41/90/30/823419030.db2.gz JUJYZPHGKICKAD-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(CSc2ccccc2)cc1 ZINC000122813560 823416703 /nfs/dbraw/zinc/41/67/03/823416703.db2.gz ACTLBNYYZIVXLF-UHFFFAOYSA-N 0 0 379.481 4.363 20 10 GICDRN Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)ccc1F ZINC000189448924 823419446 /nfs/dbraw/zinc/41/94/46/823419446.db2.gz JDIQIOMEPPWRQT-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN CC(=O)Nc1nc(COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 ZINC000024906803 819892585 /nfs/dbraw/zinc/89/25/85/819892585.db2.gz RGIAXMCBAOEIEC-UHFFFAOYSA-N 0 0 387.436 4.005 20 10 GICDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2)s1 ZINC000027122579 820196547 /nfs/dbraw/zinc/19/65/47/820196547.db2.gz LUSUXIDTDFQSMT-WJDWOHSUSA-N 0 0 390.917 4.371 20 10 GICDRN Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1 ZINC000027157699 820202472 /nfs/dbraw/zinc/20/24/72/820202472.db2.gz UUSAKPBQWBFLBR-UHFFFAOYSA-N 0 0 388.515 4.443 20 10 GICDRN CCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000028172788 820315385 /nfs/dbraw/zinc/31/53/85/820315385.db2.gz VTKYEMITLNGPRH-UHFFFAOYSA-N 0 0 386.546 4.402 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nnc(CC)o2)cc1 ZINC000177481049 823472469 /nfs/dbraw/zinc/47/24/69/823472469.db2.gz JZGDXOGNYKRPHD-UHFFFAOYSA-N 0 0 380.448 4.449 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1O ZINC000028975094 820378659 /nfs/dbraw/zinc/37/86/59/820378659.db2.gz MZZANEBURKNSRL-DHDCSXOGSA-N 0 0 377.874 4.460 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c(C)n1-c1ccccn1 ZINC000123238534 823483767 /nfs/dbraw/zinc/48/37/67/823483767.db2.gz XDNAJTAGLANDJK-MJGOQNOKSA-N 0 0 395.528 4.279 20 10 GICDRN Cc1ccc(-c2nnc([C@@H](C)N[C@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123300017 823492832 /nfs/dbraw/zinc/49/28/32/823492832.db2.gz URSYLPIQHRSBLA-QZTJIDSGSA-N 0 0 392.503 4.293 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(C(F)F)c3)CC2)cc1F ZINC000123335224 823497646 /nfs/dbraw/zinc/49/76/46/823497646.db2.gz XCEQBLNNPHYJLC-UHFFFAOYSA-N 0 0 379.382 4.126 20 10 GICDRN C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000060106016 823508667 /nfs/dbraw/zinc/50/86/67/823508667.db2.gz CJTMOKPHTHGQRI-CQSZACIVSA-N 0 0 378.394 4.033 20 10 GICDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000031729333 820853077 /nfs/dbraw/zinc/85/30/77/820853077.db2.gz IEQXDALCMCNPAT-SFHVURJKSA-N 0 0 380.517 4.409 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000060349109 823518019 /nfs/dbraw/zinc/51/80/19/823518019.db2.gz WUVDSWBBHAIYAG-UHFFFAOYSA-N 0 0 390.483 4.104 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cccc(-c4nc(C)cs4)c3)CC2)cc1 ZINC000041334784 821183913 /nfs/dbraw/zinc/18/39/13/821183913.db2.gz JTGFGXRCXGMNBY-UHFFFAOYSA-N 0 0 393.512 4.090 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000180670226 821389608 /nfs/dbraw/zinc/38/96/08/821389608.db2.gz VDBLEPBHGMHCGG-QHHAFSJGSA-N 0 0 398.846 4.312 20 10 GICDRN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180698229 821401284 /nfs/dbraw/zinc/40/12/84/821401284.db2.gz BBBVMAZZSULQDX-YGNAEDSMSA-N 0 0 380.469 4.420 20 10 GICDRN CN(C)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000043487181 821414768 /nfs/dbraw/zinc/41/47/68/821414768.db2.gz PSBSHSYPEGPYKG-UHFFFAOYSA-N 0 0 394.519 4.043 20 10 GICDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1CCc1cccs1 ZINC000180766248 821443379 /nfs/dbraw/zinc/44/33/79/821443379.db2.gz SDMLCRQMPMLETM-FLIBITNWSA-N 0 0 382.513 4.162 20 10 GICDRN OC1CCN(c2ccc(CNCc3ccc(Oc4ccccc4)o3)cc2F)CC1 ZINC000180817062 821477274 /nfs/dbraw/zinc/47/72/74/821477274.db2.gz QXXPBDDCMBDDLC-UHFFFAOYSA-N 0 0 396.462 4.462 20 10 GICDRN CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000043992037 821498554 /nfs/dbraw/zinc/49/85/54/821498554.db2.gz JHVOVHNZKDCGOL-UHFFFAOYSA-N 0 0 394.519 4.043 20 10 GICDRN CNC(=O)c1ccc(C)c(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000044181810 821541758 /nfs/dbraw/zinc/54/17/58/821541758.db2.gz CLVNDPVZOSDRAI-UHFFFAOYSA-N 0 0 394.519 4.009 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)CC(C)(C)C ZINC000181578637 821886654 /nfs/dbraw/zinc/88/66/54/821886654.db2.gz QQYTWSKOQXTPKW-QGZVFWFLSA-N 0 0 382.504 4.034 20 10 GICDRN Cc1noc(CCCC(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000181583415 821889437 /nfs/dbraw/zinc/88/94/37/821889437.db2.gz RDVJPKYOTXZRHS-INIZCTEOSA-N 0 0 379.460 4.196 20 10 GICDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181731063 821965763 /nfs/dbraw/zinc/96/57/63/821965763.db2.gz VAAMHNXLAIHVJN-UHFFFAOYSA-N 0 0 385.432 4.269 20 10 GICDRN c1ccc2c(c1)OC[C@H](c1nnc(NCc3ccc(N4CCCCC4)cc3)o1)O2 ZINC000182212302 822150003 /nfs/dbraw/zinc/15/00/03/822150003.db2.gz PGYQHFTXUIOVDP-HXUWFJFHSA-N 0 0 392.459 4.185 20 10 GICDRN CCOc1cccc(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388922 822225662 /nfs/dbraw/zinc/22/56/62/822225662.db2.gz ITPCOHMOHUEZFH-GOSISDBHSA-N 0 0 381.394 4.383 20 10 GICDRN Cc1c([C@H](C)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc(F)cc1 ZINC000177974821 822265508 /nfs/dbraw/zinc/26/55/08/822265508.db2.gz QTTUBAURPLJHFY-INIZCTEOSA-N 0 0 379.483 4.166 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000178056312 822303444 /nfs/dbraw/zinc/30/34/44/822303444.db2.gz WEIGAMPYBHWLJP-UHFFFAOYSA-N 0 0 389.883 4.106 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000178107349 822322354 /nfs/dbraw/zinc/32/23/54/822322354.db2.gz ODEUTKANAKVPQC-INIZCTEOSA-N 0 0 393.491 4.143 20 10 GICDRN Brc1ccc(-c2nnc(COc3ccc(N4CCCC4)cc3)o2)o1 ZINC000178194643 822348753 /nfs/dbraw/zinc/34/87/53/822348753.db2.gz FYKBEYMXFNBLGM-UHFFFAOYSA-N 0 0 390.237 4.271 20 10 GICDRN CCC(=O)c1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000178413828 822376955 /nfs/dbraw/zinc/37/69/55/822376955.db2.gz AIEVEDXGRNTTPV-UHFFFAOYSA-N 0 0 381.476 4.032 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1OC(F)F ZINC000045412416 822386187 /nfs/dbraw/zinc/38/61/87/822386187.db2.gz AMHHVZUZMPDKID-UHFFFAOYSA-N 0 0 377.435 4.086 20 10 GICDRN CO[C@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000045578517 822396859 /nfs/dbraw/zinc/39/68/59/822396859.db2.gz WXMGJLJFEDRXSC-JOCHJYFZSA-N 0 0 381.520 4.206 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C)nc1C(C)C ZINC000178720823 822405506 /nfs/dbraw/zinc/40/55/06/822405506.db2.gz DEWPLYPRRZWKAB-UHFFFAOYSA-N 0 0 392.297 4.039 20 10 GICDRN CCNC(=O)COc1ccc(N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000183027349 822413984 /nfs/dbraw/zinc/41/39/84/822413984.db2.gz VATSCZVNSWQVDD-GOSISDBHSA-N 0 0 381.520 4.365 20 10 GICDRN COc1ccc(N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1-n1nnnc1C ZINC000183062104 822419160 /nfs/dbraw/zinc/41/91/60/822419160.db2.gz GHCSJBIKBJUBGC-MRXNPFEDSA-N 0 0 392.507 4.143 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000183176290 822436069 /nfs/dbraw/zinc/43/60/69/822436069.db2.gz HWDOBPUBSLMBDQ-UHFFFAOYSA-N 0 0 390.443 4.371 20 10 GICDRN Cc1ccc(OCc2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)o2)c(C)c1 ZINC000183433724 822474164 /nfs/dbraw/zinc/47/41/64/822474164.db2.gz IGTRKFWHPBVEGQ-MRXNPFEDSA-N 0 0 395.455 4.248 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000183450810 822476821 /nfs/dbraw/zinc/47/68/21/822476821.db2.gz VCFIHSIACUDOOQ-OAHLLOKOSA-N 0 0 395.430 4.177 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000183449543 822476839 /nfs/dbraw/zinc/47/68/39/822476839.db2.gz IMLCATKGCNXLHV-LBPRGKRZSA-N 0 0 381.394 4.142 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000046606210 822491155 /nfs/dbraw/zinc/49/11/55/822491155.db2.gz ICHWPVUWYISCIE-UHFFFAOYSA-N 0 0 390.443 4.031 20 10 GICDRN CCCc1c(C(=O)N[C@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1 ZINC000183651954 822506290 /nfs/dbraw/zinc/50/62/90/822506290.db2.gz IWTXNMAWNRNALF-OAHLLOKOSA-N 0 0 379.460 4.030 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000046984177 822535305 /nfs/dbraw/zinc/53/53/05/822535305.db2.gz KGZYMTJZSGPBLV-UHFFFAOYSA-N 0 0 379.460 4.385 20 10 GICDRN C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036681 822538626 /nfs/dbraw/zinc/53/86/26/822538626.db2.gz JHPRXPRDAWIMSE-OAHLLOKOSA-N 0 0 375.563 4.204 20 10 GICDRN CCN1C(=O)CCc2cc(N[C@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000183920608 822546662 /nfs/dbraw/zinc/54/66/62/822546662.db2.gz QDNHHJILXIESBB-MRXNPFEDSA-N 0 0 397.494 4.135 20 10 GICDRN CN(Cc1ccccc1O)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000047136704 822547386 /nfs/dbraw/zinc/54/73/86/822547386.db2.gz SXABGLQYVZCBTQ-HXUWFJFHSA-N 0 0 394.446 4.493 20 10 GICDRN Cc1scc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1C ZINC000179772796 822549821 /nfs/dbraw/zinc/54/98/21/822549821.db2.gz IETJTKKRGGRLOO-UHFFFAOYSA-N 0 0 398.450 4.150 20 10 GICDRN COc1ccccc1C(=O)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000184109354 822579505 /nfs/dbraw/zinc/57/95/05/822579505.db2.gz AVQZLAAFRTUZKK-KRWDZBQOSA-N 0 0 389.451 4.374 20 10 GICDRN COCCOc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000047505983 822585119 /nfs/dbraw/zinc/58/51/19/822585119.db2.gz VJRWNOXFYAYPJC-UHFFFAOYSA-N 0 0 396.443 4.245 20 10 GICDRN CCNC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000047561911 822591050 /nfs/dbraw/zinc/59/10/50/822591050.db2.gz SGXOOGQLSQCUCF-UHFFFAOYSA-N 0 0 394.519 4.091 20 10 GICDRN Cc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)n1-c1cccc(C)c1 ZINC000184277598 822607570 /nfs/dbraw/zinc/60/75/70/822607570.db2.gz BTPDWPCOUQDVPD-UHFFFAOYSA-N 0 0 396.454 4.107 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)Cc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000184611278 822665548 /nfs/dbraw/zinc/66/55/48/822665548.db2.gz GOYKTDOJICAKNO-UHFFFAOYSA-N 0 0 383.492 4.216 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000184640803 822669799 /nfs/dbraw/zinc/66/97/99/822669799.db2.gz JHIGEWHECOHEPY-UHFFFAOYSA-N 0 0 394.479 4.071 20 10 GICDRN Cc1ccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000184790490 822691343 /nfs/dbraw/zinc/69/13/43/822691343.db2.gz XFAQWFCHGQCBSM-OAQYLSRUSA-N 0 0 395.499 4.261 20 10 GICDRN CCC(CC)n1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1C ZINC000180526750 822696474 /nfs/dbraw/zinc/69/64/74/822696474.db2.gz OEZNFESBDKPDOH-IBGZPJMESA-N 0 0 385.508 4.080 20 10 GICDRN O[C@@H](C[C@H]1COCCN1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542738 822699149 /nfs/dbraw/zinc/69/91/49/822699149.db2.gz KNTCXNVTZMQCJT-SFTDATJTSA-N 0 0 386.561 4.063 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573536 822704915 /nfs/dbraw/zinc/70/49/15/822704915.db2.gz NLOGNFGULIKKDX-GOSISDBHSA-N 0 0 381.394 4.302 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3c(C)cccc3SC)CC2)cc1F ZINC000185019923 822726152 /nfs/dbraw/zinc/72/61/52/822726152.db2.gz WWQWPOZDNKKQHF-UHFFFAOYSA-N 0 0 389.496 4.219 20 10 GICDRN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000185321935 822765525 /nfs/dbraw/zinc/76/55/25/822765525.db2.gz QXSPEHPKAGZRDV-GFCCVEGCSA-N 0 0 383.323 4.300 20 10 GICDRN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000185321916 822765535 /nfs/dbraw/zinc/76/55/35/822765535.db2.gz QXSPEHPKAGZRDV-LBPRGKRZSA-N 0 0 383.323 4.300 20 10 GICDRN CC1CCN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)CC1 ZINC000051971198 822784066 /nfs/dbraw/zinc/78/40/66/822784066.db2.gz GPXADDBPYNOOKO-UHFFFAOYSA-N 0 0 397.466 4.463 20 10 GICDRN C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185593582 822800237 /nfs/dbraw/zinc/80/02/37/822800237.db2.gz DBIIBMUDDOEQMH-QRQCRPRQSA-N 0 0 399.487 4.375 20 10 GICDRN O=C(Nc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1)c1ccco1 ZINC000174520660 822800251 /nfs/dbraw/zinc/80/02/51/822800251.db2.gz GTIUCJCTOZEKAY-UHFFFAOYSA-N 0 0 390.439 4.046 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(N3CCOC3=O)c2C)cc1 ZINC000174555512 822804543 /nfs/dbraw/zinc/80/45/43/822804543.db2.gz KLKJLQFRCKGERX-UHFFFAOYSA-N 0 0 396.491 4.120 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1F ZINC000185695772 822810841 /nfs/dbraw/zinc/81/08/41/822810841.db2.gz TWHSCXJJAVXOQL-HSZRJFAPSA-N 0 0 397.494 4.013 20 10 GICDRN CC(=O)Nc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F ZINC000053152169 822823777 /nfs/dbraw/zinc/82/37/77/822823777.db2.gz OZGGQUBEEFCGHZ-UHFFFAOYSA-N 0 0 383.467 4.047 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H](c1nccs1)c1ccccc1 ZINC000174724105 822828804 /nfs/dbraw/zinc/82/88/04/822828804.db2.gz SGDWCLCBYSZDEN-FQEVSTJZSA-N 0 0 393.512 4.316 20 10 GICDRN Cc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000185904482 822831846 /nfs/dbraw/zinc/83/18/46/822831846.db2.gz RZXYAZLHCYLSIT-UHFFFAOYSA-N 0 0 399.494 4.090 20 10 GICDRN CC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1nc(C(F)(F)F)cs1 ZINC000185957762 822837371 /nfs/dbraw/zinc/83/73/71/822837371.db2.gz SGCDPIPNVMZMFG-LBPRGKRZSA-N 0 0 376.375 4.450 20 10 GICDRN Cc1cc(C(=O)NCc2nc3ccccc3n2C2CC2)c(C)n1-c1ccccn1 ZINC000186038035 822846154 /nfs/dbraw/zinc/84/61/54/822846154.db2.gz KCAYHHMRXQNZMI-UHFFFAOYSA-N 0 0 385.471 4.104 20 10 GICDRN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1O ZINC000186051649 822847442 /nfs/dbraw/zinc/84/74/42/822847442.db2.gz HORWMRJUHNFQPV-ZDUSSCGKSA-N 0 0 384.277 4.463 20 10 GICDRN Cc1cn(-c2ccccc2)nc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000186101429 822851850 /nfs/dbraw/zinc/85/18/50/822851850.db2.gz BNSIYTURFRYNOE-UHFFFAOYSA-N 0 0 387.439 4.322 20 10 GICDRN O=C(CCNC(=O)N(Cc1ccccc1O)C1CCCCC1)Nc1ccccc1 ZINC000174894104 822851934 /nfs/dbraw/zinc/85/19/34/822851934.db2.gz MBYDFYHUUWQJOI-UHFFFAOYSA-N 0 0 395.503 4.265 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1Cl ZINC000174913353 822854943 /nfs/dbraw/zinc/85/49/43/822854943.db2.gz GMDYJDKWPPRQIY-MHWRWJLKSA-N 0 0 390.917 4.188 20 10 GICDRN C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2c(cc1O)CCCC2 ZINC000186332580 822877379 /nfs/dbraw/zinc/87/73/79/822877379.db2.gz QHQLUDRVJPGDMS-MRXNPFEDSA-N 0 0 391.515 4.277 20 10 GICDRN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000054499776 822891166 /nfs/dbraw/zinc/89/11/66/822891166.db2.gz MRLVNFMGWHIIPT-UKTHLTGXSA-N 0 0 382.388 4.386 20 10 GICDRN CN(Cc1ccccc1O)C(=O)CCc1cc(Cl)ccc1Br ZINC000175199075 822902546 /nfs/dbraw/zinc/90/25/46/822902546.db2.gz SRZUEOGFLHHNPT-UHFFFAOYSA-N 0 0 382.685 4.399 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000186492695 822904403 /nfs/dbraw/zinc/90/44/03/822904403.db2.gz HGGBGUYEBQZKCM-HOTGVXAUSA-N 0 0 376.522 4.092 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175323332 822935173 /nfs/dbraw/zinc/93/51/73/822935173.db2.gz DRPSSFPDWYGBHJ-CYBMUJFWSA-N 0 0 399.882 4.016 20 10 GICDRN CCSc1cccc(F)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000569533915 822936098 /nfs/dbraw/zinc/93/60/98/822936098.db2.gz FNHIEFIZFTUTIJ-UHFFFAOYSA-N 0 0 375.469 4.435 20 10 GICDRN O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000175349440 822941693 /nfs/dbraw/zinc/94/16/93/822941693.db2.gz AXDDCLXCFBWYDE-QFIPXVFZSA-N 0 0 394.515 4.204 20 10 GICDRN O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000175349456 822941717 /nfs/dbraw/zinc/94/17/17/822941717.db2.gz AXDDCLXCFBWYDE-JOCHJYFZSA-N 0 0 394.515 4.204 20 10 GICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000055356546 822954361 /nfs/dbraw/zinc/95/43/61/822954361.db2.gz LVMXHFKJMOXISO-JOCHJYFZSA-N 0 0 380.488 4.487 20 10 GICDRN Cc1csc([C@@H](C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000186808034 822958893 /nfs/dbraw/zinc/95/88/93/822958893.db2.gz XULQMBAPGXLANR-INIZCTEOSA-N 0 0 386.565 4.387 20 10 GICDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCCc2cc(Br)ccc21 ZINC000569844489 822975151 /nfs/dbraw/zinc/97/51/51/822975151.db2.gz BNUBTWOIYGBOPR-UHFFFAOYSA-N 0 0 398.260 4.401 20 10 GICDRN COC[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ccc(C)o1 ZINC000175486232 822980797 /nfs/dbraw/zinc/98/07/97/822980797.db2.gz JROUXGCALHDKFX-FQEVSTJZSA-N 0 0 385.508 4.011 20 10 GICDRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N(C)Cc1ccccc1O ZINC000175506089 822985585 /nfs/dbraw/zinc/98/55/85/822985585.db2.gz PDUIOHLMDBHORS-CYBMUJFWSA-N 0 0 390.277 4.022 20 10 GICDRN Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000175782093 823039106 /nfs/dbraw/zinc/03/91/06/823039106.db2.gz WYVFTLLWPOSFIR-UHFFFAOYSA-N 0 0 399.438 4.234 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCCc1ccccc1OC(F)F ZINC000190250789 823555999 /nfs/dbraw/zinc/55/59/99/823555999.db2.gz BTCIIJHZPUYBSY-UHFFFAOYSA-N 0 0 378.419 4.158 20 10 GICDRN Cc1ccc(-c2ncco2)cc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000123973386 823557109 /nfs/dbraw/zinc/55/71/09/823557109.db2.gz OQRKSKYAFAPXGS-WEVVVXLNSA-N 0 0 389.455 4.139 20 10 GICDRN O=C(Nc1ccc(F)cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124052550 823563249 /nfs/dbraw/zinc/56/32/49/823563249.db2.gz SEXFTZYLQNQRRF-OAHLLOKOSA-N 0 0 378.831 4.398 20 10 GICDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000124110465 823568403 /nfs/dbraw/zinc/56/84/03/823568403.db2.gz ORKNLURSBQXABJ-MRXNPFEDSA-N 0 0 390.867 4.267 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2OCc2cscn2)cc1 ZINC000061443429 823598086 /nfs/dbraw/zinc/59/80/86/823598086.db2.gz AQUVVVBJQXZOIE-UHFFFAOYSA-N 0 0 381.501 4.060 20 10 GICDRN CCc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)s1 ZINC000190806381 823611429 /nfs/dbraw/zinc/61/14/29/823611429.db2.gz JJAGLQXPVMTYDH-CQSZACIVSA-N 0 0 394.500 4.021 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000190978689 823633709 /nfs/dbraw/zinc/63/37/09/823633709.db2.gz SFJMTFYVGZQUFM-HNNXBMFYSA-N 0 0 383.492 4.229 20 10 GICDRN C[C@@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000124981501 823642492 /nfs/dbraw/zinc/64/24/92/823642492.db2.gz ZIGNFYRLLAZVIJ-MRXNPFEDSA-N 0 0 388.458 4.002 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3Cc4ccc(C(C)=O)cc4C3)ccc21 ZINC000412532267 823659698 /nfs/dbraw/zinc/65/96/98/823659698.db2.gz IFPQRAHXFREKAF-UHFFFAOYSA-N 0 0 390.483 4.263 20 10 GICDRN CCCOc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000125319591 823667512 /nfs/dbraw/zinc/66/75/12/823667512.db2.gz OCHKSQVJVQNDCE-QGZVFWFLSA-N 0 0 383.492 4.195 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCOCC4)[C@@H]3C(C)C)ccc21 ZINC000412749236 823680378 /nfs/dbraw/zinc/68/03/78/823680378.db2.gz JCWXEUGXLJORQS-QFIPXVFZSA-N 0 0 398.547 4.182 20 10 GICDRN COc1cc(N(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc(OC)c1OC ZINC000125757151 823704953 /nfs/dbraw/zinc/70/49/53/823704953.db2.gz DMDNIGVFJXBXOW-UHFFFAOYSA-N 0 0 383.444 4.072 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2cccnc2)cc1 ZINC000125775413 823707430 /nfs/dbraw/zinc/70/74/30/823707430.db2.gz SAPRLOBFVNEQIG-UHFFFAOYSA-N 0 0 389.499 4.322 20 10 GICDRN O=C1C(=Cc2c[nH]nc2-c2ccccc2F)SC(=S)N1c1cccnc1 ZINC000126157184 823802039 /nfs/dbraw/zinc/80/20/39/823802039.db2.gz XRICOTRWWJXDNM-OVCLIPMQSA-N 0 0 382.445 4.017 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1O ZINC000164446408 823803329 /nfs/dbraw/zinc/80/33/29/823803329.db2.gz WJXMANZMCZTQFJ-GOSISDBHSA-N 0 0 381.394 4.302 20 10 GICDRN CC(C)Oc1cccc(CN(C)C(=O)NCCCSc2nccs2)c1 ZINC000126253398 823821704 /nfs/dbraw/zinc/82/17/04/823821704.db2.gz ZFWHMSZXPOZGQQ-UHFFFAOYSA-N 0 0 379.551 4.254 20 10 GICDRN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)cn1 ZINC000064458324 823822925 /nfs/dbraw/zinc/82/29/25/823822925.db2.gz AMSXXKQLNVCBFQ-IMSXRSKXSA-N 0 0 397.478 4.288 20 10 GICDRN CC(C)c1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cs1 ZINC000170685071 823938549 /nfs/dbraw/zinc/93/85/49/823938549.db2.gz VCRSETUWEIUOGB-GOSISDBHSA-N 0 0 387.549 4.154 20 10 GICDRN COCCCOc1ccccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000065124312 823948606 /nfs/dbraw/zinc/94/86/06/823948606.db2.gz BJIJJEVHYRKETC-UHFFFAOYSA-N 0 0 379.460 4.157 20 10 GICDRN O=C1/C(=C/c2ccc(-n3ccnc3)cc2)SC(=S)N1c1ccc(Cl)nc1 ZINC000170738376 823958086 /nfs/dbraw/zinc/95/80/86/823958086.db2.gz FETJHLNTXGYMNM-DHDCSXOGSA-N 0 0 398.900 4.327 20 10 GICDRN CC(C)c1cnc(NC(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000192395176 823970021 /nfs/dbraw/zinc/97/00/21/823970021.db2.gz SHJNXTOCUCJKEN-UHFFFAOYSA-N 0 0 376.551 4.141 20 10 GICDRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1 ZINC000170811089 823977657 /nfs/dbraw/zinc/97/76/57/823977657.db2.gz KUZNEABUPTZJRO-LFIBNONCSA-N 0 0 388.539 4.150 20 10 GICDRN COc1cccc(CNC(=O)Nc2ccc(OCc3ccccc3)cc2)c1O ZINC000170931489 824007629 /nfs/dbraw/zinc/00/76/29/824007629.db2.gz JFSOCOXCTFLUIP-UHFFFAOYSA-N 0 0 378.428 4.302 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3ccc(OC)c4ccccc34)CC2)cc1 ZINC000171018137 824038769 /nfs/dbraw/zinc/03/87/69/824038769.db2.gz ZLUSCVWADFZDSD-UHFFFAOYSA-N 0 0 390.483 4.256 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000175847536 823054266 /nfs/dbraw/zinc/05/42/66/823054266.db2.gz KRLCDNYGVHCCOX-ZDUSSCGKSA-N 0 0 392.293 4.316 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000187512697 823078456 /nfs/dbraw/zinc/07/84/56/823078456.db2.gz RYZLBRBNBWMZPS-QFIPXVFZSA-N 0 0 385.552 4.024 20 10 GICDRN O=C(Nc1ccc(-n2ccnn2)cc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000175951355 823080722 /nfs/dbraw/zinc/08/07/22/823080722.db2.gz JGTGWLSWFIJNHC-UHFFFAOYSA-N 0 0 391.475 4.340 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C(C)(C)C)c1C ZINC000120987194 823097927 /nfs/dbraw/zinc/09/79/27/823097927.db2.gz YLTZXYWZTJRNLQ-UHFFFAOYSA-N 0 0 394.313 4.077 20 10 GICDRN Cc1coc(-c2ccc(C)c(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2)n1 ZINC000120989636 823098428 /nfs/dbraw/zinc/09/84/28/823098428.db2.gz MOLPCNKWVKXAGC-UHFFFAOYSA-N 0 0 382.439 4.485 20 10 GICDRN COCC(=O)N1CCc2cc(N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc21 ZINC000187663334 823108444 /nfs/dbraw/zinc/10/84/44/823108444.db2.gz ZDAKAPIBBWBLDZ-GOSISDBHSA-N 0 0 393.531 4.386 20 10 GICDRN CCCCN(CC)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121317888 823162229 /nfs/dbraw/zinc/16/22/29/823162229.db2.gz KSWARGVYJBHNMM-SQFISAMPSA-N 0 0 396.603 4.378 20 10 GICDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000176364009 823191724 /nfs/dbraw/zinc/19/17/24/823191724.db2.gz DWGSCWDVGGOTQM-HNNXBMFYSA-N 0 0 377.444 4.023 20 10 GICDRN COc1ccc(-c2csc(CNC(=O)NCc3cc(OC)ccc3O)c2)cc1 ZINC000176363984 823191731 /nfs/dbraw/zinc/19/17/31/823191731.db2.gz GBXNBMOURJLXPV-UHFFFAOYSA-N 0 0 398.484 4.137 20 10 GICDRN COc1ccc(F)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1OC ZINC000188208527 823203423 /nfs/dbraw/zinc/20/34/23/823203423.db2.gz FMVLJVHCFOCGPZ-UHFFFAOYSA-N 0 0 386.467 4.105 20 10 GICDRN Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c(C)n1-c1ccccc1C ZINC000176419740 823204202 /nfs/dbraw/zinc/20/42/02/823204202.db2.gz AILUPSFRGKHSLG-OAQYLSRUSA-N 0 0 396.531 4.203 20 10 GICDRN COc1cc(NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000121719242 823236779 /nfs/dbraw/zinc/23/67/79/823236779.db2.gz IUXFITBHSUGHPY-UHFFFAOYSA-N 0 0 379.504 4.424 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000176682225 823266758 /nfs/dbraw/zinc/26/67/58/823266758.db2.gz SZLPZFXVBHGODG-UHFFFAOYSA-N 0 0 377.448 4.002 20 10 GICDRN COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000004270437 817515147 /nfs/dbraw/zinc/51/51/47/817515147.db2.gz LXOAFACBMXXKMB-UHFFFAOYSA-N 0 0 392.455 4.207 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccccc2F)cc1 ZINC000006287168 817673044 /nfs/dbraw/zinc/67/30/44/817673044.db2.gz STMZYUHWXCRQBJ-SFHVURJKSA-N 0 0 387.524 4.270 20 10 GICDRN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)c([N+](=O)[O-])cc1OC ZINC000007165879 817777870 /nfs/dbraw/zinc/77/78/70/817777870.db2.gz UTTJEAGJLCHKHL-MFOYZWKCSA-N 0 0 399.428 4.003 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=S)N1c1cccnc1 ZINC000007166188 817778384 /nfs/dbraw/zinc/77/83/84/817778384.db2.gz MJYJPKXYJKTDGR-AQTBWJFISA-N 0 0 381.526 4.478 20 10 GICDRN COc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)cc1F ZINC000121976275 823287663 /nfs/dbraw/zinc/28/76/63/823287663.db2.gz HHKRGNWXDXYDCB-UHFFFAOYSA-N 0 0 399.510 4.027 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCCCSc1ccccc1 ZINC000007211003 817794484 /nfs/dbraw/zinc/79/44/84/817794484.db2.gz JXUJWPOBLGJTHR-UHFFFAOYSA-N 0 0 397.569 4.478 20 10 GICDRN C#CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000007209162 817794517 /nfs/dbraw/zinc/79/45/17/817794517.db2.gz FYAVBNFRYFSSKK-XMHGGMMESA-N 0 0 394.521 4.170 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC000188711436 823290690 /nfs/dbraw/zinc/29/06/90/823290690.db2.gz FLKWKTZHWLCZLA-QGZVFWFLSA-N 0 0 377.492 4.026 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000007536109 817863752 /nfs/dbraw/zinc/86/37/52/817863752.db2.gz PGRYZDQVRZRRSH-UHFFFAOYSA-N 0 0 396.900 4.295 20 10 GICDRN Cc1cc(C(=O)OCc2nnc(-c3ccco3)o2)c(C)n1-c1ccc(F)cc1 ZINC000007706435 817899038 /nfs/dbraw/zinc/89/90/38/817899038.db2.gz GOJUNGVUPJGECY-UHFFFAOYSA-N 0 0 381.363 4.233 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)cc1F ZINC000057647452 823318282 /nfs/dbraw/zinc/31/82/82/823318282.db2.gz BWZUKPYUVRJJFQ-JOCHJYFZSA-N 0 0 392.478 4.218 20 10 GICDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647768 823318370 /nfs/dbraw/zinc/31/83/70/823318370.db2.gz KSFFAMDTVFXUGC-ZDUSSCGKSA-N 0 0 386.496 4.404 20 10 GICDRN O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc(Br)c1 ZINC000013005347 818199971 /nfs/dbraw/zinc/19/99/71/818199971.db2.gz GKVSVBGPHWRTIN-UKTHLTGXSA-N 0 0 377.288 4.250 20 10 GICDRN CN(C)c1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000014527402 818249742 /nfs/dbraw/zinc/24/97/42/818249742.db2.gz TVZJTCBJLLSJTR-UHFFFAOYSA-N 0 0 376.456 4.240 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncoc1-c1ccccc1Cl ZINC000188910967 823327085 /nfs/dbraw/zinc/32/70/85/823327085.db2.gz VQEHTPHICZRSLW-UHFFFAOYSA-N 0 0 383.835 4.100 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000122277998 823331447 /nfs/dbraw/zinc/33/14/47/823331447.db2.gz WBSHNXXMMOQFAK-NRFANRHFSA-N 0 0 397.471 4.429 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)n1-c1ccc(F)cc1 ZINC000016172858 818401586 /nfs/dbraw/zinc/40/15/86/818401586.db2.gz QTAIQYCNGJGJQI-UHFFFAOYSA-N 0 0 391.446 4.378 20 10 GICDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc(F)cc1F ZINC000016183695 818402752 /nfs/dbraw/zinc/40/27/52/818402752.db2.gz RRRZQAXCUXQYJA-UHFFFAOYSA-N 0 0 392.309 4.205 20 10 GICDRN O=C1/C(=C\c2ccc(N3CCCC3)nc2)SC(=S)N1CCc1ccccc1 ZINC000176963484 823335945 /nfs/dbraw/zinc/33/59/45/823335945.db2.gz GLSMRCKJIYGOCE-NBVRZTHBSA-N 0 0 395.553 4.126 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)ccc21 ZINC000460299222 823344821 /nfs/dbraw/zinc/34/48/21/823344821.db2.gz RXSBSEAMSACJMZ-CQSZACIVSA-N 0 0 396.462 4.471 20 10 GICDRN CCN1CCc2nc(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)sc2C1 ZINC000021296673 818672358 /nfs/dbraw/zinc/67/23/58/818672358.db2.gz PPAKQPGPTWZKGS-UHFFFAOYSA-N 0 0 380.517 4.181 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-n3nccc3C)cc2)cc1 ZINC000024187606 819030966 /nfs/dbraw/zinc/03/09/66/819030966.db2.gz RQZFGDNJGNCTEJ-UHFFFAOYSA-N 0 0 376.504 4.299 20 10 GICDRN Cc1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c(C)n1-c1ccccc1 ZINC000024326440 819046256 /nfs/dbraw/zinc/04/62/56/819046256.db2.gz FJVNQRFBYOZQBW-UHFFFAOYSA-N 0 0 399.498 4.157 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1-n1cccn1 ZINC000177154796 823385416 /nfs/dbraw/zinc/38/54/16/823385416.db2.gz JOHVGESJQDVOSS-GOSISDBHSA-N 0 0 389.503 4.033 20 10 GICDRN CCc1noc(-c2ccc(C)c(NC(=O)N[C@H](C)c3cc(OC)ccc3O)c2)n1 ZINC000177154758 823385531 /nfs/dbraw/zinc/38/55/31/823385531.db2.gz XLYHXGFLSMXVBO-CYBMUJFWSA-N 0 0 396.447 4.204 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)Oc3cccc(F)c3)ccc21 ZINC000460485320 823404860 /nfs/dbraw/zinc/40/48/60/823404860.db2.gz DMHZNMMXDSNTBG-OAHLLOKOSA-N 0 0 398.478 4.241 20 10 GICDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189448484 823419397 /nfs/dbraw/zinc/41/93/97/823419397.db2.gz UPZAWZBYJLVQFQ-KRWDZBQOSA-N 0 0 398.466 4.182 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccc(N)cc1 ZINC000189446413 823418391 /nfs/dbraw/zinc/41/83/91/823418391.db2.gz ISEVCLBBZQVJKR-CQSZACIVSA-N 0 0 395.409 4.280 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189458058 823421342 /nfs/dbraw/zinc/42/13/42/823421342.db2.gz FICCTGIUEFJMBQ-ZDUSSCGKSA-N 0 0 395.421 4.433 20 10 GICDRN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCc2ccc(F)cc21 ZINC000058742499 823442407 /nfs/dbraw/zinc/44/24/07/823442407.db2.gz OKILBWMIAPSMKK-UHFFFAOYSA-N 0 0 384.414 4.276 20 10 GICDRN COc1ccc(N2C(=O)/C(=C/c3ccc(C)cn3)SC2=S)cc1Cl ZINC000122990008 823444517 /nfs/dbraw/zinc/44/45/17/823444517.db2.gz VPQNKBADLRSEBE-CHHVJCJISA-N 0 0 376.890 4.458 20 10 GICDRN COC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 ZINC000027074954 820190124 /nfs/dbraw/zinc/19/01/24/820190124.db2.gz ACPWDKSLSVRBRL-UHFFFAOYSA-N 0 0 392.455 4.450 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000027156773 820202077 /nfs/dbraw/zinc/20/20/77/820202077.db2.gz SSFQVCQFSIUKOZ-UHFFFAOYSA-N 0 0 399.516 4.336 20 10 GICDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1C ZINC000027156875 820202175 /nfs/dbraw/zinc/20/21/75/820202175.db2.gz MKHJNRMAKBCJOL-UHFFFAOYSA-N 0 0 382.504 4.275 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccccn1 ZINC000123239259 823483684 /nfs/dbraw/zinc/48/36/84/823483684.db2.gz XDNAJTAGLANDJK-PKOBYXMFSA-N 0 0 395.528 4.279 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1Br ZINC000059367840 823494043 /nfs/dbraw/zinc/49/40/43/823494043.db2.gz YOPZRVDZPGJSAT-UHFFFAOYSA-N 0 0 389.337 4.496 20 10 GICDRN CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000123355474 823500818 /nfs/dbraw/zinc/50/08/18/823500818.db2.gz TVHXGGPWOZBSHL-XMMPIXPASA-N 0 0 394.559 4.026 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1occc1Br ZINC000177677083 823512464 /nfs/dbraw/zinc/51/24/64/823512464.db2.gz ABXDOHKJSPNJFC-UHFFFAOYSA-N 0 0 377.282 4.305 20 10 GICDRN Oc1ccccc1CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000177675514 823511977 /nfs/dbraw/zinc/51/19/77/823511977.db2.gz QOYGRMRHYXETMW-IBGZPJMESA-N 0 0 382.435 4.368 20 10 GICDRN O=C1/C(=C/c2cc(Br)cs2)SC(=S)N1c1cccnc1 ZINC000032789471 821008335 /nfs/dbraw/zinc/00/83/35/821008335.db2.gz ZAUWKLFQHPWCGF-WZUFQYTHSA-N 0 0 383.317 4.311 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000177801121 823527716 /nfs/dbraw/zinc/52/77/16/823527716.db2.gz DTCQJDMAJGYBOG-UHFFFAOYSA-N 0 0 391.519 4.265 20 10 GICDRN COc1ccc(CCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 ZINC000035038914 821063890 /nfs/dbraw/zinc/06/38/90/821063890.db2.gz BHJMCELMGQJXTQ-QGOAFFKASA-N 0 0 385.510 4.148 20 10 GICDRN CN1CCCc2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc21 ZINC000040113190 821141247 /nfs/dbraw/zinc/14/12/47/821141247.db2.gz MGFBEHFUHWXQSA-UYRXBGFRSA-N 0 0 380.538 4.470 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3nc(C)sc3-c3ccccc3)CC2)cc1 ZINC000040326389 821158413 /nfs/dbraw/zinc/15/84/13/821158413.db2.gz NKWYTBYRXBMAIL-UHFFFAOYSA-N 0 0 393.512 4.090 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000177849113 823536000 /nfs/dbraw/zinc/53/60/00/823536000.db2.gz YOLKOURQNQSJIV-NRFANRHFSA-N 0 0 378.520 4.073 20 10 GICDRN COc1cccc(C2CCN(C(=O)NCCCSc3nccs3)CC2)c1 ZINC000177854623 823536766 /nfs/dbraw/zinc/53/67/66/823536766.db2.gz PAASWFWINJTYNZ-UHFFFAOYSA-N 0 0 391.562 4.223 20 10 GICDRN CNC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000042621079 821314473 /nfs/dbraw/zinc/31/44/73/821314473.db2.gz VJSSUEPQSZQWFP-UHFFFAOYSA-N 0 0 380.423 4.237 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1C ZINC000042635835 821317120 /nfs/dbraw/zinc/31/71/20/821317120.db2.gz NEYSCKNUCMUVHV-UHFFFAOYSA-N 0 0 389.499 4.034 20 10 GICDRN COc1ccc(N2C(=O)/C(=C\c3ccc(NC(C)=O)cc3)SC2=S)cc1 ZINC000043079752 821358929 /nfs/dbraw/zinc/35/89/29/821358929.db2.gz WPGOVATZWRLZNR-GZTJUZNOSA-N 0 0 384.482 4.059 20 10 GICDRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000043288605 821387413 /nfs/dbraw/zinc/38/74/13/821387413.db2.gz KAUNRIWFZXVTMX-UHFFFAOYSA-N 0 0 381.354 4.062 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C(F)F)n2C)c(C)n1-c1cccc(C)c1 ZINC000181283524 821734511 /nfs/dbraw/zinc/73/45/11/821734511.db2.gz BMZNPLBVMYPUTI-UHFFFAOYSA-N 0 0 390.459 4.444 20 10 GICDRN CCC(CC)n1nc(C)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181491566 821850759 /nfs/dbraw/zinc/85/07/59/821850759.db2.gz DVYOXRWBVANHNR-IBGZPJMESA-N 0 0 385.508 4.080 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSc1nncs1 ZINC000181582986 821889134 /nfs/dbraw/zinc/88/91/34/821889134.db2.gz MPQVGLBVFNAPSV-CQSZACIVSA-N 0 0 385.514 4.126 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)OC(C)(C)C ZINC000181585873 821890619 /nfs/dbraw/zinc/89/06/19/821890619.db2.gz LHSGIVPLRUEQEF-INIZCTEOSA-N 0 0 384.476 4.007 20 10 GICDRN C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182208465 822147979 /nfs/dbraw/zinc/14/79/79/822147979.db2.gz VAHUYNUEQMYRJO-JXFKEZNVSA-N 0 0 386.467 4.003 20 10 GICDRN CC[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(N(C)C)cc1 ZINC000182397447 822228957 /nfs/dbraw/zinc/22/89/57/822228957.db2.gz HLMHXGYNMMUCLK-QFIPXVFZSA-N 0 0 378.520 4.149 20 10 GICDRN Cc1cc(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)ccc1O ZINC000182477553 822258128 /nfs/dbraw/zinc/25/81/28/822258128.db2.gz BGEBGVDWIKRVMJ-UHFFFAOYSA-N 0 0 381.400 4.031 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(COCC2CC2)c1 ZINC000183041806 822416291 /nfs/dbraw/zinc/41/62/91/822416291.db2.gz YMMXUMZCXOGKLX-UHFFFAOYSA-N 0 0 381.476 4.110 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2cnn(CC(C)C)c2C(F)F)cc1 ZINC000178995234 822427479 /nfs/dbraw/zinc/42/74/79/822427479.db2.gz KBYIWJDTQJDJTA-UHFFFAOYSA-N 0 0 378.467 4.253 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000183417187 822471344 /nfs/dbraw/zinc/47/13/44/822471344.db2.gz YFTNZDYRMKPYKA-STQMWFEESA-N 0 0 381.394 4.358 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3cccc(-c4ccoc4)c3)CC2)cc1 ZINC000179385262 822474828 /nfs/dbraw/zinc/47/48/28/822474828.db2.gz PRRLEOIMMFQGEU-UHFFFAOYSA-N 0 0 376.456 4.308 20 10 GICDRN COc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183458463 822478089 /nfs/dbraw/zinc/47/80/89/822478089.db2.gz XHRYLHKOKXDEJD-CYBMUJFWSA-N 0 0 383.469 4.196 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179418335 822479668 /nfs/dbraw/zinc/47/96/68/822479668.db2.gz CKLQJUPJIQVBFT-UHFFFAOYSA-N 0 0 394.475 4.069 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1COc1ccccc1 ZINC000183473837 822480863 /nfs/dbraw/zinc/48/08/63/822480863.db2.gz AQJRJVPVQHGDMA-INIZCTEOSA-N 0 0 377.440 4.038 20 10 GICDRN COc1cccc(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1O ZINC000183488982 822484353 /nfs/dbraw/zinc/48/43/53/822484353.db2.gz ONGGOQHKZGYXEH-UHFFFAOYSA-N 0 0 380.391 4.178 20 10 GICDRN COc1ccc(C2(C(=O)N(C)Cc3ccc(N(C)C)cc3)CCCC2)cc1OC ZINC000183504002 822487215 /nfs/dbraw/zinc/48/72/15/822487215.db2.gz DIYKULFGAMGPPI-UHFFFAOYSA-N 0 0 396.531 4.240 20 10 GICDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000047141387 822548082 /nfs/dbraw/zinc/54/80/82/822548082.db2.gz TYPLUZAWXAZECW-QGZVFWFLSA-N 0 0 396.535 4.079 20 10 GICDRN [O-]c1c(Br)cccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000179800703 822555388 /nfs/dbraw/zinc/55/53/88/822555388.db2.gz RYXUFROOSYMRFU-UHFFFAOYSA-N 0 0 376.294 4.336 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(Cl)c1Cl ZINC000047335267 822567912 /nfs/dbraw/zinc/56/79/12/822567912.db2.gz XBSVPTNGQIDHHL-UHFFFAOYSA-N 0 0 398.265 4.291 20 10 GICDRN Cc1ccc(Cl)cc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047346921 822569315 /nfs/dbraw/zinc/56/93/15/822569315.db2.gz KPDOSUUWIGBTMG-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cc(F)ccc2O)cc1 ZINC000179936333 822580600 /nfs/dbraw/zinc/58/06/00/822580600.db2.gz YPSHTCSUYJGYNO-UHFFFAOYSA-N 0 0 394.446 4.219 20 10 GICDRN COc1ccc(N2CCCN(C(=O)CCCC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000184416121 822630909 /nfs/dbraw/zinc/63/09/09/822630909.db2.gz SCOBFBWXVGWFSV-UHFFFAOYSA-N 0 0 394.515 4.096 20 10 GICDRN CCCOc1ccc(CN[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c(O)c1 ZINC000180194619 822636698 /nfs/dbraw/zinc/63/66/98/822636698.db2.gz PMNOHJWHANGSEM-LJQANCHMSA-N 0 0 387.867 4.405 20 10 GICDRN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1O ZINC000184682906 822676086 /nfs/dbraw/zinc/67/60/86/822676086.db2.gz AKLAOEIFVJJVLE-QGZVFWFLSA-N 0 0 385.851 4.045 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC ZINC000184695309 822677838 /nfs/dbraw/zinc/67/78/38/822677838.db2.gz YHJAVWTWRFHGLQ-UHFFFAOYSA-N 0 0 381.476 4.135 20 10 GICDRN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000180506441 822692978 /nfs/dbraw/zinc/69/29/78/822692978.db2.gz LPAXBLHHNIHZAS-ZFWWWQNUSA-N 0 0 382.323 4.304 20 10 GICDRN C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185033554 822727483 /nfs/dbraw/zinc/72/74/83/822727483.db2.gz QPEKLAYUWUHUBJ-STQMWFEESA-N 0 0 396.318 4.170 20 10 GICDRN COC(=O)c1ccc(-c2nc(CN(C)c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000050961721 822743418 /nfs/dbraw/zinc/74/34/18/822743418.db2.gz VLTNATZSHHIBFD-UHFFFAOYSA-N 0 0 398.484 4.250 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c1O ZINC000174276691 822761580 /nfs/dbraw/zinc/76/15/80/822761580.db2.gz WDEMMNGPPAPIKN-AWEZNQCLSA-N 0 0 397.500 4.393 20 10 GICDRN Cc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c(C)n1-c1ccc(C#N)cc1 ZINC000185345560 822768982 /nfs/dbraw/zinc/76/89/82/822768982.db2.gz DBGCSNCPAPLZAY-NRFANRHFSA-N 0 0 387.439 4.034 20 10 GICDRN Cc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c(C)n1-c1ccc(F)cc1 ZINC000185353427 822769954 /nfs/dbraw/zinc/76/99/54/822769954.db2.gz LDPDQPUOZVKQNJ-FQEVSTJZSA-N 0 0 380.419 4.301 20 10 GICDRN Cc1nccn1C[C@@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174498979 822797224 /nfs/dbraw/zinc/79/72/24/822797224.db2.gz KJBDVOGPSWMNAL-KRWDZBQOSA-N 0 0 384.524 4.078 20 10 GICDRN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174513861 822799436 /nfs/dbraw/zinc/79/94/36/822799436.db2.gz YYDKOHADTLZPPL-UHFFFAOYSA-N 0 0 376.456 4.093 20 10 GICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000052446530 822800013 /nfs/dbraw/zinc/80/00/13/822800013.db2.gz BHXHMXYIFQGBTI-UHFFFAOYSA-N 0 0 375.856 4.069 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1F ZINC000185695794 822810923 /nfs/dbraw/zinc/81/09/23/822810923.db2.gz TWHSCXJJAVXOQL-QHCPKHFHSA-N 0 0 397.494 4.013 20 10 GICDRN C[C@@H](Sc1nccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000052913884 822815479 /nfs/dbraw/zinc/81/54/79/822815479.db2.gz OQFUFHUUMCNRGU-SECBINFHSA-N 0 0 392.487 4.294 20 10 GICDRN Cc1cc2occ(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)c2cc1C ZINC000185782574 822820634 /nfs/dbraw/zinc/82/06/34/822820634.db2.gz XYHXIEGVFYGLEE-UHFFFAOYSA-N 0 0 392.499 4.188 20 10 GICDRN COCCN(Cc1ncc(-c2ccc(OC)cc2)o1)c1ccc(OC)c(OC)c1 ZINC000174799197 822838669 /nfs/dbraw/zinc/83/86/69/822838669.db2.gz HAQKKIYSRAQRSU-UHFFFAOYSA-N 0 0 398.459 4.020 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000185993975 822841987 /nfs/dbraw/zinc/84/19/87/822841987.db2.gz RHLRBCIUCHDRIS-KRWDZBQOSA-N 0 0 398.503 4.148 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000174917143 822855784 /nfs/dbraw/zinc/85/57/84/822855784.db2.gz QIVMIDXLTQGOPM-LLVKDONJSA-N 0 0 398.326 4.212 20 10 GICDRN C[C@@H](NCc1ccc2c(c1)CCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176345 822866219 /nfs/dbraw/zinc/86/62/19/822866219.db2.gz CZUUKCVZYKMLQA-GFCCVEGCSA-N 0 0 390.277 4.006 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000175041028 822872420 /nfs/dbraw/zinc/87/24/20/822872420.db2.gz COABZUWRNMDIEJ-MRXNPFEDSA-N 0 0 394.475 4.049 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000054386635 822880439 /nfs/dbraw/zinc/88/04/39/822880439.db2.gz VRZODZCRUJGFLM-UHFFFAOYSA-N 0 0 387.483 4.097 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000186375020 822883881 /nfs/dbraw/zinc/88/38/81/822883881.db2.gz DQKPREWMBSXTRN-QGZVFWFLSA-N 0 0 391.467 4.281 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1Sc1ccccc1 ZINC000186375132 822884158 /nfs/dbraw/zinc/88/41/58/822884158.db2.gz ISNNAUYEWYUNRL-AWEZNQCLSA-N 0 0 380.469 4.005 20 10 GICDRN COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000054499269 822890804 /nfs/dbraw/zinc/89/08/04/822890804.db2.gz CVMXUXLMDYWAGG-LDADJPATSA-N 0 0 384.526 4.163 20 10 GICDRN COc1ccc(O)c([C@H](C)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000186416368 822890896 /nfs/dbraw/zinc/89/08/96/822890896.db2.gz GFWCPLVUSDSWDN-LBPRGKRZSA-N 0 0 382.382 4.174 20 10 GICDRN C[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000054549214 822894842 /nfs/dbraw/zinc/89/48/42/822894842.db2.gz XZTMZGFOLMCGJQ-MJGOQNOKSA-N 0 0 399.560 4.222 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175607340 823005818 /nfs/dbraw/zinc/00/58/18/823005818.db2.gz YKCISNBLYOBSED-UHFFFAOYSA-N 0 0 388.471 4.144 20 10 GICDRN COc1ccc([C@@H](C)CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000175616436 823007213 /nfs/dbraw/zinc/00/72/13/823007213.db2.gz UIRQHVYPSPIGRB-KRWDZBQOSA-N 0 0 384.545 4.058 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000175640917 823011298 /nfs/dbraw/zinc/01/12/98/823011298.db2.gz LEKKZGKPCWZDNO-JOCHJYFZSA-N 0 0 393.531 4.035 20 10 GICDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SC(C)C)c2)CC1 ZINC000187126202 823014549 /nfs/dbraw/zinc/01/45/49/823014549.db2.gz LWCXJLBUJZPTKP-UHFFFAOYSA-N 0 0 397.544 4.108 20 10 GICDRN Cc1cccc2nc(C3CCN(C(=O)NCc4ccc(N(C)C)cc4)CC3)oc21 ZINC000187203536 823024362 /nfs/dbraw/zinc/02/43/62/823024362.db2.gz BTRDXKPWKMUMQR-UHFFFAOYSA-N 0 0 392.503 4.291 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000187247274 823030046 /nfs/dbraw/zinc/03/00/46/823030046.db2.gz BXJNQRJHDVCMHJ-SFHVURJKSA-N 0 0 379.426 4.240 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1Cc1ccccc1 ZINC000123902209 823550225 /nfs/dbraw/zinc/55/02/25/823550225.db2.gz FTBKECDDXNGWIM-ATVHPVEESA-N 0 0 381.526 4.083 20 10 GICDRN O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124063612 823564420 /nfs/dbraw/zinc/56/44/20/823564420.db2.gz GOQLIRYUZFCBHJ-HNNXBMFYSA-N 0 0 378.831 4.398 20 10 GICDRN CC(C)N(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3C#N)C2=O)cn1 ZINC000190400071 823569336 /nfs/dbraw/zinc/56/93/36/823569336.db2.gz NAYMPAVWTSFBFA-LICLKQGHSA-N 0 0 394.525 4.204 20 10 GICDRN O=C(Nc1ccc(OC(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124135984 823570729 /nfs/dbraw/zinc/57/07/29/823570729.db2.gz LLGWFVLLVNKOFE-KRWDZBQOSA-N 0 0 392.402 4.207 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(Cl)c1F ZINC000124455773 823598138 /nfs/dbraw/zinc/59/81/38/823598138.db2.gz HCPKREINVJZBPT-UHFFFAOYSA-N 0 0 387.636 4.005 20 10 GICDRN C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000124526239 823603703 /nfs/dbraw/zinc/60/37/03/823603703.db2.gz FUOBJEPMAYNWEM-SFHVURJKSA-N 0 0 387.483 4.076 20 10 GICDRN Cc1ccc(CCCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000124650724 823614263 /nfs/dbraw/zinc/61/42/63/823614263.db2.gz ATLHXJXSRWVLHH-UHFFFAOYSA-N 0 0 394.559 4.233 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(CCCOC(C)=O)c1 ZINC000190880060 823619093 /nfs/dbraw/zinc/61/90/93/823619093.db2.gz FNACXEVOPQGHSV-UHFFFAOYSA-N 0 0 384.476 4.332 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000190971018 823632606 /nfs/dbraw/zinc/63/26/06/823632606.db2.gz DAEUALNBYVDTAY-CYBMUJFWSA-N 0 0 388.439 4.311 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000190985417 823634623 /nfs/dbraw/zinc/63/46/23/823634623.db2.gz JOHPXLJFFDFPAN-INIZCTEOSA-N 0 0 392.455 4.430 20 10 GICDRN CC(C)Oc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000125054137 823648454 /nfs/dbraw/zinc/64/84/54/823648454.db2.gz HUCFVRCJRBZNDM-GOSISDBHSA-N 0 0 384.476 4.393 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCSC4(CCC4)CC3)ccc21 ZINC000412454454 823656199 /nfs/dbraw/zinc/65/61/99/823656199.db2.gz QTRVBPGAENIFBZ-UHFFFAOYSA-N 0 0 386.561 4.406 20 10 GICDRN COCCNc1ccccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000191241241 823662376 /nfs/dbraw/zinc/66/23/76/823662376.db2.gz OEWSDZXZAOYFKP-UHFFFAOYSA-N 0 0 388.471 4.276 20 10 GICDRN CC(=O)c1cccc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125287193 823665087 /nfs/dbraw/zinc/66/50/87/823665087.db2.gz BNPJPLRDIVEYNV-QGZVFWFLSA-N 0 0 393.439 4.184 20 10 GICDRN O=C(c1cc2c(c(Cl)c1)OCO2)N(Cc1ccco1)Cc1ccccc1O ZINC000125328173 823668382 /nfs/dbraw/zinc/66/83/82/823668382.db2.gz QACJTBKVBMABQD-UHFFFAOYSA-N 0 0 385.803 4.210 20 10 GICDRN Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c(C)n1-c1cccc(Br)c1 ZINC000063837722 823700619 /nfs/dbraw/zinc/70/06/19/823700619.db2.gz UTYONYIDBUJQTQ-UHFFFAOYSA-N 0 0 387.281 4.449 20 10 GICDRN Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000163342805 823702775 /nfs/dbraw/zinc/70/27/75/823702775.db2.gz MASKGEVKCZSKDZ-UHFFFAOYSA-N 0 0 390.487 4.060 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1OC ZINC000125786147 823710339 /nfs/dbraw/zinc/71/03/39/823710339.db2.gz DLFHWZSAZIEGSR-UHFFFAOYSA-N 0 0 386.492 4.219 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000125787976 823710595 /nfs/dbraw/zinc/71/05/95/823710595.db2.gz DBBCZPAGUBLZPL-UHFFFAOYSA-N 0 0 381.259 4.076 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000125787526 823710627 /nfs/dbraw/zinc/71/06/27/823710627.db2.gz GSAZNSKTDWFXJC-UHFFFAOYSA-N 0 0 394.443 4.084 20 10 GICDRN C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125805430 823715508 /nfs/dbraw/zinc/71/55/08/823715508.db2.gz BTTDQMPUVSPGME-KRWDZBQOSA-N 0 0 386.923 4.014 20 10 GICDRN CCc1c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1C ZINC000191633126 823720163 /nfs/dbraw/zinc/72/01/63/823720163.db2.gz CSJRUSRLBMPNBK-OAHLLOKOSA-N 0 0 394.475 4.340 20 10 GICDRN O=[N+]([O-])c1ccc(/C(=C/c2ccc(N3CCOCC3)cc2)c2ccncc2)cc1 ZINC000125857926 823730720 /nfs/dbraw/zinc/73/07/20/823730720.db2.gz KQVFQUXWNBNHGA-QJOMJCCJSA-N 0 0 387.439 4.415 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191798967 823772405 /nfs/dbraw/zinc/77/24/05/823772405.db2.gz CKMWTEGEJACGGA-UHFFFAOYSA-N 0 0 380.429 4.321 20 10 GICDRN COc1ccc(NC(=O)CSc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000164192431 823785053 /nfs/dbraw/zinc/78/50/53/823785053.db2.gz OPNNAPVYEJYADU-UHFFFAOYSA-N 0 0 381.479 4.088 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000126155339 823801266 /nfs/dbraw/zinc/80/12/66/823801266.db2.gz ZGXOAZLFWAJVSE-UHFFFAOYSA-N 0 0 393.468 4.019 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000126166765 823803844 /nfs/dbraw/zinc/80/38/44/823803844.db2.gz ORMIHKWGEZGERB-FYYLOGMGSA-N 0 0 391.515 4.030 20 10 GICDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc(C(C)C)o1 ZINC000170697496 823944715 /nfs/dbraw/zinc/94/47/15/823944715.db2.gz NILBNHPTTULNNP-UHFFFAOYSA-N 0 0 386.477 4.140 20 10 GICDRN O=C1/C(=C\c2cnn(-c3ccccc3)c2)SC(=S)N1c1ccc(Cl)nc1 ZINC000170738367 823957893 /nfs/dbraw/zinc/95/78/93/823957893.db2.gz VYPHQXKORDPCBI-OVCLIPMQSA-N 0 0 398.900 4.327 20 10 GICDRN O=C(Nc1cc(C(F)(F)F)ccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000192422465 823984900 /nfs/dbraw/zinc/98/49/00/823984900.db2.gz VQSQPNACFYRDMB-HNNXBMFYSA-N 0 0 395.381 4.019 20 10 GICDRN O=C(NCCCSc1nccs1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000187362271 823049942 /nfs/dbraw/zinc/04/99/42/823049942.db2.gz MHRPADOPFCHGKL-LBPRGKRZSA-N 0 0 383.489 4.103 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nccc2ccccc21 ZINC000175850017 823055445 /nfs/dbraw/zinc/05/54/45/823055445.db2.gz JYPJFAJYZONKBN-UHFFFAOYSA-N 0 0 385.261 4.365 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000175867824 823059530 /nfs/dbraw/zinc/05/95/30/823059530.db2.gz DIHIEQNGPMUNEL-UHFFFAOYSA-N 0 0 377.444 4.372 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000120776260 823061572 /nfs/dbraw/zinc/06/15/72/823061572.db2.gz XKZRGTNWUGMFQJ-SFHVURJKSA-N 0 0 394.494 4.062 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)c(C)n1-c1ccccn1 ZINC000175908925 823070136 /nfs/dbraw/zinc/07/01/36/823070136.db2.gz FSCYWPLJVPJWPC-UHFFFAOYSA-N 0 0 385.427 4.324 20 10 GICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000175952113 823080953 /nfs/dbraw/zinc/08/09/53/823080953.db2.gz PFOUEEKPBMRUFJ-QGZVFWFLSA-N 0 0 378.472 4.032 20 10 GICDRN Cc1noc(C2CCN(C(=O)c3cc(C)n(-c4cc(C)cc(C)c4)c3C)CC2)n1 ZINC000176096191 823118971 /nfs/dbraw/zinc/11/89/71/823118971.db2.gz CBLGWRNSQIOAQR-UHFFFAOYSA-N 0 0 392.503 4.422 20 10 GICDRN C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Oc1cccc(F)c1 ZINC000176100357 823119900 /nfs/dbraw/zinc/11/99/00/823119900.db2.gz DKNGDNKYXINIQQ-INIZCTEOSA-N 0 0 398.434 4.304 20 10 GICDRN CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])ccc2NC1=O ZINC000187743132 823123716 /nfs/dbraw/zinc/12/37/16/823123716.db2.gz SKURJXGBQYZSMM-OHUAYANFSA-N 0 0 376.403 4.192 20 10 GICDRN CCN(Cc1ccccc1)c1ccc(CNc2c(C)c(C)nn2CCO)cc1 ZINC000121397501 823177331 /nfs/dbraw/zinc/17/73/31/823177331.db2.gz MWGUORMEISUZHB-UHFFFAOYSA-N 0 0 378.520 4.131 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000056619568 823182580 /nfs/dbraw/zinc/18/25/80/823182580.db2.gz FMLGOYAITSNDCJ-UHFFFAOYSA-N 0 0 383.492 4.227 20 10 GICDRN COc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000056711498 823196922 /nfs/dbraw/zinc/19/69/22/823196922.db2.gz MMPZYOBNTSPRMH-UHFFFAOYSA-N 0 0 391.924 4.224 20 10 GICDRN CO[C@H](C)c1nc(C)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000176559213 823236927 /nfs/dbraw/zinc/23/69/27/823236927.db2.gz ZLSLQPYFBSLTMN-MRXNPFEDSA-N 0 0 387.549 4.325 20 10 GICDRN CCOc1cccc(CNc2cc(Br)c(OC)cc2OC)c1O ZINC000121786313 823251159 /nfs/dbraw/zinc/25/11/59/823251159.db2.gz GMQRUXJSMYHEOT-UHFFFAOYSA-N 0 0 382.254 4.183 20 10 GICDRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000001254081 817375810 /nfs/dbraw/zinc/37/58/10/817375810.db2.gz WCKDAASSQMXJGK-MHWRWJLKSA-N 0 0 375.446 4.336 20 10 GICDRN CC(=O)N1CCN(c2cccc(N[C@H](C)c3cc4c(cc3O)CCCC4)c2)CC1 ZINC000188536731 823259215 /nfs/dbraw/zinc/25/92/15/823259215.db2.gz WITGYOCCYQHUOF-QGZVFWFLSA-N 0 0 393.531 4.113 20 10 GICDRN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3cc4c(cc3O)CCCC4)c2)CC1 ZINC000188536706 823259349 /nfs/dbraw/zinc/25/93/49/823259349.db2.gz WITGYOCCYQHUOF-KRWDZBQOSA-N 0 0 393.531 4.113 20 10 GICDRN COc1ccc([C@H]2C[C@H](NC(=O)NCc3c(C)c4ccccc4n3C)C2)cc1F ZINC000409608022 823260585 /nfs/dbraw/zinc/26/05/85/823260585.db2.gz MBMPAMQDLJLYOC-QAQDUYKDSA-N 0 0 395.478 4.380 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000005643736 817603294 /nfs/dbraw/zinc/60/32/94/817603294.db2.gz VQHLYZFYESSPBT-INIZCTEOSA-N 0 0 382.485 4.190 20 10 GICDRN Cc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)c(C)n1-c1cccc(C)c1 ZINC000005925010 817630604 /nfs/dbraw/zinc/63/06/04/817630604.db2.gz HSHQQLSLFODCDR-UHFFFAOYSA-N 0 0 398.409 4.476 20 10 GICDRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)SC1=S ZINC000006147094 817661740 /nfs/dbraw/zinc/66/17/40/817661740.db2.gz KMNVRCWPZINLKV-CAOOACKPSA-N 0 0 386.498 4.044 20 10 GICDRN Cc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000007103400 817759962 /nfs/dbraw/zinc/75/99/62/817759962.db2.gz KIGQFJJVOLEINV-NRFANRHFSA-N 0 0 383.561 4.439 20 10 GICDRN Cc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000007103415 817759984 /nfs/dbraw/zinc/75/99/84/817759984.db2.gz KIGQFJJVOLEINV-OAQYLSRUSA-N 0 0 383.561 4.439 20 10 GICDRN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000007103335 817760073 /nfs/dbraw/zinc/76/00/73/817760073.db2.gz XZHCWGTVYYXJTR-NRFANRHFSA-N 0 0 383.561 4.439 20 10 GICDRN COc1ccc(N(C)Cc2cc(=O)oc3cc(NC(C)=O)ccc23)cc1Cl ZINC000121971655 823286790 /nfs/dbraw/zinc/28/67/90/823286790.db2.gz NCKPWLHQURHICX-UHFFFAOYSA-N 0 0 386.835 4.050 20 10 GICDRN Cc1cccc(-c2nn(Cc3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000007155240 817773848 /nfs/dbraw/zinc/77/38/48/817773848.db2.gz HJWRRDYFDZBAMR-WQRHYEAKSA-N 0 0 391.521 4.396 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC#N ZINC000007166026 817777803 /nfs/dbraw/zinc/77/78/03/817777803.db2.gz MXJVGZUUBASFIA-ATVHPVEESA-N 0 0 382.466 4.003 20 10 GICDRN CCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)CCC3)c1C ZINC000007371868 817826444 /nfs/dbraw/zinc/82/64/44/817826444.db2.gz VHVHFNWFBASJHP-UHFFFAOYSA-N 0 0 380.517 4.169 20 10 GICDRN Cc1c(Cl)cccc1NC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000007435504 817841121 /nfs/dbraw/zinc/84/11/21/817841121.db2.gz DTJFSGOUIXJFNA-UHFFFAOYSA-N 0 0 389.952 4.314 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000188779504 823303661 /nfs/dbraw/zinc/30/36/61/823303661.db2.gz FOBUVKTYBXCXOB-LBPRGKRZSA-N 0 0 379.378 4.329 20 10 GICDRN Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(c4cccnc4)C3=O)c2C)no1 ZINC000008056798 817990460 /nfs/dbraw/zinc/99/04/60/817990460.db2.gz PFYSOMHCIXVYHS-SXGWCWSVSA-N 0 0 396.497 4.191 20 10 GICDRN CCNC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000011214313 818062399 /nfs/dbraw/zinc/06/23/99/818062399.db2.gz PTFYOONDQWUDBF-UHFFFAOYSA-N 0 0 385.920 4.480 20 10 GICDRN COc1ccc(CNC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000011619278 818100642 /nfs/dbraw/zinc/10/06/42/818100642.db2.gz XHENYYAQQFEMHO-UHFFFAOYSA-N 0 0 390.439 4.332 20 10 GICDRN CC(C)[C@@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000011647378 818104645 /nfs/dbraw/zinc/10/46/45/818104645.db2.gz SIROGQMJILIGJQ-MRXNPFEDSA-N 0 0 383.517 4.444 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000014099541 818222729 /nfs/dbraw/zinc/22/27/29/818222729.db2.gz NOXJHANVKLJGNU-UHFFFAOYSA-N 0 0 387.332 4.270 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2c2cccnc12 ZINC000188904272 823325834 /nfs/dbraw/zinc/32/58/34/823325834.db2.gz LJOYMIQPFNXONN-UHFFFAOYSA-N 0 0 383.451 4.493 20 10 GICDRN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)cc2)N1C[C@@H]1CCCO1 ZINC000015503790 818331518 /nfs/dbraw/zinc/33/15/18/818331518.db2.gz LQJLEXJHUWFUEM-NZQKXSOJSA-N 0 0 391.515 4.422 20 10 GICDRN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1O ZINC000016440727 818442088 /nfs/dbraw/zinc/44/20/88/818442088.db2.gz GQZSPZYZMVCLJC-YVLHZVERSA-N 0 0 384.457 4.109 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)c1O ZINC000177037625 823356455 /nfs/dbraw/zinc/35/64/55/823356455.db2.gz ZUPZNOKKJYMZAM-LJQANCHMSA-N 0 0 397.862 4.239 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncc(-c2ccccc2)o1 ZINC000122591423 823377877 /nfs/dbraw/zinc/37/78/77/823377877.db2.gz PHTBOQGNBVYZFU-UHFFFAOYSA-N 0 0 378.476 4.139 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000024187421 819030936 /nfs/dbraw/zinc/03/09/36/819030936.db2.gz IGCSGKOBYWPJKS-UHFFFAOYSA-N 0 0 397.544 4.239 20 10 GICDRN Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c(C)n1-c1ccccc1C ZINC000024392496 819054420 /nfs/dbraw/zinc/05/44/20/819054420.db2.gz PUZPMQYYGMMQBO-LJQANCHMSA-N 0 0 387.483 4.258 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)cc1F ZINC000177278790 823419209 /nfs/dbraw/zinc/41/92/09/823419209.db2.gz YRIZSRPTEKRTAU-UHFFFAOYSA-N 0 0 396.434 4.111 20 10 GICDRN COc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446144 823418490 /nfs/dbraw/zinc/41/84/90/823418490.db2.gz CFPNQYAWIRYPOL-MRXNPFEDSA-N 0 0 389.455 4.010 20 10 GICDRN Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122985651 823443819 /nfs/dbraw/zinc/44/38/19/823443819.db2.gz HLBOIUUCLAIKNV-OAQYLSRUSA-N 0 0 397.494 4.017 20 10 GICDRN COc1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(C)cn3)SC2=S)c1 ZINC000122993126 823445152 /nfs/dbraw/zinc/44/51/52/823445152.db2.gz HMHNLXVYPOICCR-CHHVJCJISA-N 0 0 376.890 4.458 20 10 GICDRN CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000028775999 820356582 /nfs/dbraw/zinc/35/65/82/820356582.db2.gz WLIQFMNOGQUBCI-ZDUSSCGKSA-N 0 0 397.500 4.242 20 10 GICDRN Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3cccc(C)c3C)sc2n1 ZINC000028775732 820356943 /nfs/dbraw/zinc/35/69/43/820356943.db2.gz LHPRFUGKVAFYNJ-AWEZNQCLSA-N 0 0 397.500 4.296 20 10 GICDRN C[C@@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1ccc(N2CCOCC2)cc1 ZINC000123238212 823483276 /nfs/dbraw/zinc/48/32/76/823483276.db2.gz YYFVWEXJLSEKLP-CABCVRRESA-N 0 0 384.505 4.047 20 10 GICDRN Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000059271023 823488740 /nfs/dbraw/zinc/48/87/40/823488740.db2.gz ASCYPCLXTSMBEH-UHFFFAOYSA-N 0 0 397.496 4.068 20 10 GICDRN C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000060106018 823508644 /nfs/dbraw/zinc/50/86/44/823508644.db2.gz OAPNRUMPOQEFQE-SFHVURJKSA-N 0 0 396.506 4.352 20 10 GICDRN Cc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000032332229 820918340 /nfs/dbraw/zinc/91/83/40/820918340.db2.gz IZSSUEMNMINDAQ-UHFFFAOYSA-N 0 0 397.500 4.026 20 10 GICDRN O=C(NCCCSc1nccs1)N[C@H](c1ccccc1)c1cccnc1 ZINC000177817583 823529953 /nfs/dbraw/zinc/52/99/53/823529953.db2.gz OZJONEBHFMIUHE-QGZVFWFLSA-N 0 0 384.530 4.109 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000033219976 821049907 /nfs/dbraw/zinc/04/99/07/821049907.db2.gz SZNRXJOUAVKVGI-UHFFFAOYSA-N 0 0 377.488 4.389 20 10 GICDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S ZINC000040884998 821165666 /nfs/dbraw/zinc/16/56/66/821165666.db2.gz NNCVHWPXKOOHPJ-WQLSENKSSA-N 0 0 390.313 4.148 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1F ZINC000180916090 821536054 /nfs/dbraw/zinc/53/60/54/821536054.db2.gz WIZLZKUNTAJDNS-LJQANCHMSA-N 0 0 387.503 4.059 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F ZINC000180916107 821536137 /nfs/dbraw/zinc/53/61/37/821536137.db2.gz WIZLZKUNTAJDNS-IBGZPJMESA-N 0 0 387.503 4.059 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)cc1 ZINC000044203589 821545143 /nfs/dbraw/zinc/54/51/43/821545143.db2.gz MDAUQSSAKGEYSI-UHFFFAOYSA-N 0 0 395.503 4.371 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(-n2cccn2)ccn1 ZINC000181580315 821887848 /nfs/dbraw/zinc/88/78/48/821887848.db2.gz SYFPXQCJHNUMBP-GOSISDBHSA-N 0 0 398.466 4.377 20 10 GICDRN CC(C)CCC(=O)NCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181583568 821889583 /nfs/dbraw/zinc/88/95/83/821889583.db2.gz CXQCSXLIRYZJDP-SFHVURJKSA-N 0 0 382.504 4.034 20 10 GICDRN C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(N2CCCCC2)c(F)c1 ZINC000182295101 822191454 /nfs/dbraw/zinc/19/14/54/822191454.db2.gz ALWZZBUYQUSVIN-HNNXBMFYSA-N 0 0 383.467 4.344 20 10 GICDRN C[C@H](Nc1ccccc1OCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000182491858 822265541 /nfs/dbraw/zinc/26/55/41/822265541.db2.gz OZAPPGSKIXRZSP-AWEZNQCLSA-N 0 0 380.410 4.479 20 10 GICDRN COc1cccc([C@@H](NCc2cc(OC)ccc2O)c2cc(F)ccc2OC)c1 ZINC000182547920 822296170 /nfs/dbraw/zinc/29/61/70/822296170.db2.gz VJWIWZSSYODENM-HSZRJFAPSA-N 0 0 397.446 4.436 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@H](C)c2nccs2)cc1F ZINC000182570219 822307305 /nfs/dbraw/zinc/30/73/05/822307305.db2.gz BALGMJUXZMKDHT-AWEZNQCLSA-N 0 0 378.517 4.074 20 10 GICDRN COCCOc1cc(C)ccc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182602033 822318996 /nfs/dbraw/zinc/31/89/96/822318996.db2.gz SFRGWAONJBMMCF-KRWDZBQOSA-N 0 0 388.483 4.169 20 10 GICDRN COCc1ccsc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000182862309 822381204 /nfs/dbraw/zinc/38/12/04/822381204.db2.gz GYTSWXXZUNLENC-UHFFFAOYSA-N 0 0 386.439 4.165 20 10 GICDRN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182939833 822396580 /nfs/dbraw/zinc/39/65/80/822396580.db2.gz FOLJJYKBAMDZMB-UHFFFAOYSA-N 0 0 380.492 4.092 20 10 GICDRN CC(C)Oc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000045641279 822402183 /nfs/dbraw/zinc/40/21/83/822402183.db2.gz ADZOTONMEBYDKX-OAQYLSRUSA-N 0 0 398.503 4.070 20 10 GICDRN COc1ccc2oc(/C=C3\SC(=S)N(CCc4cccnc4)C3=O)cc2c1 ZINC000179145493 822443391 /nfs/dbraw/zinc/44/33/91/822443391.db2.gz ICLJXYFDPGOPBW-WQRHYEAKSA-N 0 0 396.493 4.280 20 10 GICDRN Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000183385675 822466878 /nfs/dbraw/zinc/46/68/78/822466878.db2.gz FDJAVESURPMERJ-INIZCTEOSA-N 0 0 386.565 4.291 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179348859 822469174 /nfs/dbraw/zinc/46/91/74/822469174.db2.gz GVNUDZAOJIBSNB-IBGZPJMESA-N 0 0 389.503 4.109 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000183418767 822471571 /nfs/dbraw/zinc/47/15/71/822471571.db2.gz WIIQZZQKBDTENB-AWEZNQCLSA-N 0 0 375.424 4.287 20 10 GICDRN CN1C(=O)/C(=C\c2cc(Br)cc(C(F)(F)F)c2)SC1=S ZINC000179374560 822473238 /nfs/dbraw/zinc/47/32/38/822473238.db2.gz VDNOBLZNOOCWPF-RUDMXATFSA-N 0 0 382.226 4.299 20 10 GICDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183473939 822480907 /nfs/dbraw/zinc/48/09/07/822480907.db2.gz WJBDYSBXHJOJBG-NSHDSACASA-N 0 0 386.448 4.030 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000179446248 822484296 /nfs/dbraw/zinc/48/42/96/822484296.db2.gz KVDKKWXKZBBLFG-UHFFFAOYSA-N 0 0 381.476 4.437 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643418 822518619 /nfs/dbraw/zinc/51/86/19/822518619.db2.gz RZVPRGCFGCVJLU-GOSISDBHSA-N 0 0 399.494 4.403 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000183893841 822541807 /nfs/dbraw/zinc/54/18/07/822541807.db2.gz RRYXKXYIRJBKHQ-UHFFFAOYSA-N 0 0 384.524 4.057 20 10 GICDRN CC(=O)OCCCc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000183959068 822554048 /nfs/dbraw/zinc/55/40/48/822554048.db2.gz PZZBJBUOPFUIGB-UHFFFAOYSA-N 0 0 391.471 4.237 20 10 GICDRN COc1cc(O)c(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575682 822705136 /nfs/dbraw/zinc/70/51/36/822705136.db2.gz OEYVYKYBODOORM-LJQANCHMSA-N 0 0 397.393 4.002 20 10 GICDRN C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185069292 822732448 /nfs/dbraw/zinc/73/24/48/822732448.db2.gz HFTLTYUIIWHSNU-CYBMUJFWSA-N 0 0 380.319 4.409 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000185230361 822752244 /nfs/dbraw/zinc/75/22/44/822752244.db2.gz PAVPUGWMKPBLTQ-UHFFFAOYSA-N 0 0 378.476 4.199 20 10 GICDRN O=C(Nc1c(F)cccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174371280 822779735 /nfs/dbraw/zinc/77/97/35/822779735.db2.gz HVSDVPSPESNUFA-LBPRGKRZSA-N 0 0 397.372 4.357 20 10 GICDRN C[C@H](O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 ZINC000174508548 822798682 /nfs/dbraw/zinc/79/86/82/822798682.db2.gz FAKWPDSEMPFRKG-KRWDZBQOSA-N 0 0 382.504 4.490 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(Oc3ccccn3)c2)cc1F ZINC000174513064 822799298 /nfs/dbraw/zinc/79/92/98/822799298.db2.gz OHZPNTJRFGPKON-UHFFFAOYSA-N 0 0 380.423 4.401 20 10 GICDRN Cc1nc(CCC(=O)NCc2c(O)ccc3c2CCCC3)oc1-c1ccccc1 ZINC000174523143 822800663 /nfs/dbraw/zinc/80/06/63/822800663.db2.gz MJAMPXDSCGLLFC-UHFFFAOYSA-N 0 0 390.483 4.483 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC000174606859 822811655 /nfs/dbraw/zinc/81/16/55/822811655.db2.gz MMLSHVFIKSIKEO-JTSKRJEESA-N 0 0 379.504 4.067 20 10 GICDRN CCOCc1cc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC ZINC000174665274 822820823 /nfs/dbraw/zinc/82/08/23/822820823.db2.gz QULIBUCEELTVGC-CQSZACIVSA-N 0 0 385.439 4.272 20 10 GICDRN c1ccc2c(c1)nc(-c1ccncc1)nc2NCc1ccc(N2CCOCC2)cc1 ZINC000053583207 822841629 /nfs/dbraw/zinc/84/16/29/822841629.db2.gz DJARNKLFUYTNRU-UHFFFAOYSA-N 0 0 397.482 4.141 20 10 GICDRN CC(C)C(=O)Nc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000174828558 822842842 /nfs/dbraw/zinc/84/28/42/822842842.db2.gz WISSEJKFKBMHGP-UHFFFAOYSA-N 0 0 381.476 4.187 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186101244 822851659 /nfs/dbraw/zinc/85/16/59/822851659.db2.gz RFLRTPKIZLTZIR-HOTGVXAUSA-N 0 0 388.483 4.238 20 10 GICDRN CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(Br)cc2O)c1 ZINC000186292030 822872058 /nfs/dbraw/zinc/87/20/58/822872058.db2.gz PBDDRRABKDSMOJ-NWDGAFQWSA-N 0 0 393.281 4.301 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000175048755 822873585 /nfs/dbraw/zinc/87/35/85/822873585.db2.gz QQTBFJCVUBNRAL-HSZRJFAPSA-N 0 0 396.531 4.284 20 10 GICDRN CC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 ZINC000175069627 822877290 /nfs/dbraw/zinc/87/72/90/822877290.db2.gz MHYUKIQKOKVIBK-KAMYIIQDSA-N 0 0 394.587 4.036 20 10 GICDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(-c2nc(C3CC3)no2)c1 ZINC000175072946 822877711 /nfs/dbraw/zinc/87/77/11/822877711.db2.gz ITFQVPYZVPCICI-UHFFFAOYSA-N 0 0 378.432 4.292 20 10 GICDRN Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Sc2ccccc2)n1 ZINC000186406581 822889539 /nfs/dbraw/zinc/88/95/39/822889539.db2.gz SGKOAGBVOLJYON-HNNXBMFYSA-N 0 0 394.496 4.313 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000054509092 822891612 /nfs/dbraw/zinc/89/16/12/822891612.db2.gz MLIOEFVNZDQQFA-UHFFFAOYSA-N 0 0 390.365 4.261 20 10 GICDRN Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186435267 822894938 /nfs/dbraw/zinc/89/49/38/822894938.db2.gz HZUTVHYHIYVZQT-MRXNPFEDSA-N 0 0 383.488 4.143 20 10 GICDRN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N(C)Cc1ccccc1O ZINC000054648453 822901441 /nfs/dbraw/zinc/90/14/41/822901441.db2.gz NBVDYLKRFDBTON-AWEZNQCLSA-N 0 0 391.309 4.317 20 10 GICDRN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc(Br)ccc1O ZINC000186548111 822911505 /nfs/dbraw/zinc/91/15/05/822911505.db2.gz MAPGPXDCUXFSDS-JTQLQIEISA-N 0 0 376.254 4.305 20 10 GICDRN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000055368275 822955062 /nfs/dbraw/zinc/95/50/62/822955062.db2.gz BQGBHVSIGMATIZ-UHFFFAOYSA-N 0 0 386.517 4.111 20 10 GICDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2F)C[C@@H](C)O1 ZINC000055529692 822975165 /nfs/dbraw/zinc/97/51/65/822975165.db2.gz DXTZEKFZLLIFKO-CHWSQXEVSA-N 0 0 394.849 4.162 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]1c1ccccc1 ZINC000175675868 823017994 /nfs/dbraw/zinc/01/79/94/823017994.db2.gz SLZATENHTXTDFB-UTKZUKDTSA-N 0 0 381.545 4.142 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3F)CC2)cc1 ZINC000175746457 823031092 /nfs/dbraw/zinc/03/10/92/823031092.db2.gz SHOJODURISGGIK-UHFFFAOYSA-N 0 0 396.384 4.252 20 10 GICDRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S ZINC000123927633 823552408 /nfs/dbraw/zinc/55/24/08/823552408.db2.gz YQNROXBOCSDBDS-LDHAAXQRSA-N 0 0 387.574 4.462 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Oc3ccc(NC(C)=O)cc3)c2C)cc1 ZINC000061048795 823575440 /nfs/dbraw/zinc/57/54/40/823575440.db2.gz AJSROALFOONUAA-UHFFFAOYSA-N 0 0 378.428 4.280 20 10 GICDRN O=C(Nc1ccccc1N1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124419279 823595219 /nfs/dbraw/zinc/59/52/19/823595219.db2.gz PHTNWUGXNUXAFI-LJQANCHMSA-N 0 0 395.503 4.206 20 10 GICDRN Cc1ccc(C[C@H](C)N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000124657854 823614791 /nfs/dbraw/zinc/61/47/91/823614791.db2.gz OREAQZDLCVROHU-VQTJNVASSA-N 0 0 395.547 4.165 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000190863225 823617592 /nfs/dbraw/zinc/61/75/92/823617592.db2.gz NZNQCBJSSXYBQJ-UHFFFAOYSA-N 0 0 396.384 4.423 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1SC(F)(F)F ZINC000190947273 823628936 /nfs/dbraw/zinc/62/89/36/823628936.db2.gz HJGPTLIJCYKMKT-JTQLQIEISA-N 0 0 386.395 4.462 20 10 GICDRN CC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)n(C)c1 ZINC000124908100 823635934 /nfs/dbraw/zinc/63/59/34/823635934.db2.gz YLVQUHLAEJZAIW-MRXNPFEDSA-N 0 0 376.456 4.337 20 10 GICDRN Cc1cc(C(=O)N2CCC(n3cccn3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000125087592 823651091 /nfs/dbraw/zinc/65/10/91/823651091.db2.gz USFXZOWDNGHNHF-UHFFFAOYSA-N 0 0 382.895 4.421 20 10 GICDRN COc1ccc2ccccc2c1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000125092661 823651426 /nfs/dbraw/zinc/65/14/26/823651426.db2.gz ZQWUBEKAJQTUCV-UHFFFAOYSA-N 0 0 387.483 4.224 20 10 GICDRN Cc1ccc(NC2=NC(=O)C(=Cc3cn(C)nc3-c3ccncc3)S2)c(C)c1 ZINC000063276461 823659130 /nfs/dbraw/zinc/65/91/30/823659130.db2.gz CCZOODLVRYBUET-WQRHYEAKSA-N 0 0 389.484 4.181 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(N(C)C(C)C)nc1 ZINC000191233489 823661618 /nfs/dbraw/zinc/66/16/18/823661618.db2.gz PFAKWDPNFFNRFV-MHWRWJLKSA-N 0 0 380.517 4.259 20 10 GICDRN CCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000125242268 823661716 /nfs/dbraw/zinc/66/17/16/823661716.db2.gz QNYAJNWUVZQRTM-FQEVSTJZSA-N 0 0 384.476 4.394 20 10 GICDRN Cc1cnn(-c2ccc(C(=O)N(Cc3ccco3)Cc3ccccc3O)cc2)c1 ZINC000125285682 823665022 /nfs/dbraw/zinc/66/50/22/823665022.db2.gz WKDQFQZKMFPHFN-UHFFFAOYSA-N 0 0 387.439 4.322 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000125801645 823714420 /nfs/dbraw/zinc/71/44/20/823714420.db2.gz ARGCNDOYGJCZAL-UHFFFAOYSA-N 0 0 394.443 4.084 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000125820266 823719223 /nfs/dbraw/zinc/71/92/23/823719223.db2.gz SOWJLAVLWAFNCL-UHFFFAOYSA-N 0 0 381.259 4.076 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000125821482 823719989 /nfs/dbraw/zinc/71/99/89/823719989.db2.gz IPVQOVXGVLULPX-UHFFFAOYSA-N 0 0 381.259 4.076 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(CSCC)c1 ZINC000125859535 823731402 /nfs/dbraw/zinc/73/14/02/823731402.db2.gz ZZVLYEDCHMWQOG-UHFFFAOYSA-N 0 0 386.517 4.023 20 10 GICDRN CCN(CC)c1ccc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125905071 823741051 /nfs/dbraw/zinc/74/10/51/823741051.db2.gz SFALAKUPNLLAAZ-MRXNPFEDSA-N 0 0 392.540 4.268 20 10 GICDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc(Cl)cc(OC)c2O)n1 ZINC000191829631 823788315 /nfs/dbraw/zinc/78/83/15/823788315.db2.gz MRPMLICTQDROTD-AWEZNQCLSA-N 0 0 396.896 4.025 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000126166578 823803550 /nfs/dbraw/zinc/80/35/50/823803550.db2.gz ORMIHKWGEZGERB-GMAHTHKFSA-N 0 0 391.515 4.030 20 10 GICDRN Cc1cscc1NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000126241860 823819111 /nfs/dbraw/zinc/81/91/11/823819111.db2.gz LBUAXMNLHLPADX-UHFFFAOYSA-N 0 0 385.533 4.080 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC000126582367 823905106 /nfs/dbraw/zinc/90/51/06/823905106.db2.gz GFSVVWBUEKRMTH-UHFFFAOYSA-N 0 0 376.460 4.287 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000170875697 823997207 /nfs/dbraw/zinc/99/72/07/823997207.db2.gz PAWQCUVKCXIFFA-HXUWFJFHSA-N 0 0 393.487 4.062 20 10 GICDRN c1csc(CN(Cc2nc(-c3ccoc3)no2)c2ccc3c(c2)OCCO3)c1 ZINC000170939182 824009291 /nfs/dbraw/zinc/00/92/91/824009291.db2.gz DTJHEJVZHLDASS-UHFFFAOYSA-N 0 0 395.440 4.369 20 10 GICDRN CSCCCN1C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC1=S ZINC000127062499 824009294 /nfs/dbraw/zinc/00/92/94/824009294.db2.gz HNHBQUSPOFETAT-ALCCZGGFSA-N 0 0 399.431 4.336 20 10 GICDRN O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)n2Cc2ccco2)s1 ZINC000192495305 824010846 /nfs/dbraw/zinc/01/08/46/824010846.db2.gz LFRIGBMQOMFHPS-UHFFFAOYSA-N 0 0 391.459 4.164 20 10 GICDRN COC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171067554 824054716 /nfs/dbraw/zinc/05/47/16/824054716.db2.gz TUVGHKCIUARYNW-HXUWFJFHSA-N 0 0 380.444 4.085 20 10 GICDRN O=C(NCCc1cc2ccccc2o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120752917 823057271 /nfs/dbraw/zinc/05/72/71/823057271.db2.gz MXFQBJPWJADMCT-HXUWFJFHSA-N 0 0 394.471 4.072 20 10 GICDRN COc1cc(Br)cc(CN(C)Cc2nc3ccccc3s2)c1O ZINC000120783974 823063162 /nfs/dbraw/zinc/06/31/62/823063162.db2.gz ZAAPWLVEENEKNA-UHFFFAOYSA-N 0 0 393.306 4.405 20 10 GICDRN Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1cccc(C(C)C)c1 ZINC000120792976 823065254 /nfs/dbraw/zinc/06/52/54/823065254.db2.gz WWKFVBGCGBLLQU-JOCHJYFZSA-N 0 0 377.488 4.076 20 10 GICDRN CSC1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCOCC1 ZINC000175996452 823091413 /nfs/dbraw/zinc/09/14/13/823091413.db2.gz PPZZBPRXKWASLV-UHFFFAOYSA-N 0 0 392.565 4.149 20 10 GICDRN COc1cccc(-c2ccc(CNC(=O)NCc3cccc(OC)c3O)cc2)c1 ZINC000176025271 823098824 /nfs/dbraw/zinc/09/88/24/823098824.db2.gz NNWJCJGZMIQZPL-UHFFFAOYSA-N 0 0 392.455 4.076 20 10 GICDRN CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 ZINC000056227010 823108046 /nfs/dbraw/zinc/10/80/46/823108046.db2.gz MJUWDLJESWWACD-UHFFFAOYSA-N 0 0 390.393 4.489 20 10 GICDRN Cc1noc([C@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2)n1 ZINC000176088163 823116504 /nfs/dbraw/zinc/11/65/04/823116504.db2.gz WMRJGRLRBPXQCI-HXUWFJFHSA-N 0 0 388.427 4.127 20 10 GICDRN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(Cl)c1 ZINC000121164608 823130820 /nfs/dbraw/zinc/13/08/20/823130820.db2.gz XAWMABYEAWEAGH-UHFFFAOYSA-N 0 0 386.883 4.286 20 10 GICDRN COc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(OC2CCCC2)c1 ZINC000176184472 823147505 /nfs/dbraw/zinc/14/75/05/823147505.db2.gz NJPLJXNJKHGCGT-UHFFFAOYSA-N 0 0 384.476 4.064 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000121352777 823168750 /nfs/dbraw/zinc/16/87/50/823168750.db2.gz CIWQICNAQNTNQB-OFNKIYASSA-N 0 0 391.515 4.030 20 10 GICDRN CCOc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c(C)c1 ZINC000056638612 823187184 /nfs/dbraw/zinc/18/71/84/823187184.db2.gz QKNYRLKSJAROOS-UHFFFAOYSA-N 0 0 383.492 4.147 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000056756025 823207669 /nfs/dbraw/zinc/20/76/69/823207669.db2.gz WAHIWBQPJOJKFF-INIZCTEOSA-N 0 0 390.867 4.267 20 10 GICDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121670309 823226791 /nfs/dbraw/zinc/22/67/91/823226791.db2.gz LERDRZRMQQZBPM-FQEVSTJZSA-N 0 0 381.863 4.372 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000121778207 823248618 /nfs/dbraw/zinc/24/86/18/823248618.db2.gz AZRNNISOPIUSTD-KRWDZBQOSA-N 0 0 399.560 4.199 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000003502387 817471897 /nfs/dbraw/zinc/47/18/97/817471897.db2.gz MLGCJQIYTCGPRN-UHFFFAOYSA-N 0 0 378.384 4.042 20 10 GICDRN O=C1NC(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000003659137 817494370 /nfs/dbraw/zinc/49/43/70/817494370.db2.gz CSJJDSOPIGTYDO-UYRXBGFRSA-N 0 0 381.863 4.428 20 10 GICDRN CC[C@H](C)[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000057304233 823277490 /nfs/dbraw/zinc/27/74/90/823277490.db2.gz AKJBYOYDNDYRTE-UCASCVRBSA-N 0 0 396.603 4.280 20 10 GICDRN COc1ccc(O)c([C@@H](C)NCc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121937154 823280835 /nfs/dbraw/zinc/28/08/35/823280835.db2.gz XMMXZWFRFJAYDY-GFCCVEGCSA-N 0 0 385.489 4.242 20 10 GICDRN CCN(CCCNC(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000007027740 817740427 /nfs/dbraw/zinc/74/04/27/817740427.db2.gz MDUPHLQZFDIDBW-UHFFFAOYSA-N 0 0 379.476 4.491 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)COc2ccccc2)cc1 ZINC000007105455 817760770 /nfs/dbraw/zinc/76/07/70/817760770.db2.gz MCNOCRDQAKHWCW-UHFFFAOYSA-N 0 0 390.483 4.373 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000007176664 817782713 /nfs/dbraw/zinc/78/27/13/817782713.db2.gz VVJNTRCBNQKNLE-MRXNPFEDSA-N 0 0 382.485 4.017 20 10 GICDRN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007245676 817802693 /nfs/dbraw/zinc/80/26/93/817802693.db2.gz UPFQHZWBLPAMFO-MRXNPFEDSA-N 0 0 396.560 4.014 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000188779311 823303677 /nfs/dbraw/zinc/30/36/77/823303677.db2.gz MLDZCNZQVJWLNJ-LLVKDONJSA-N 0 0 397.368 4.468 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000188787740 823305818 /nfs/dbraw/zinc/30/58/18/823305818.db2.gz NLBDHLKXOJFCGH-INIZCTEOSA-N 0 0 393.487 4.471 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000010963084 818035562 /nfs/dbraw/zinc/03/55/62/818035562.db2.gz FOJTYSZEXUGNQP-UHFFFAOYSA-N 0 0 388.515 4.194 20 10 GICDRN Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176879293 823315892 /nfs/dbraw/zinc/31/58/92/823315892.db2.gz SIOJYLMLFYXGRP-UHFFFAOYSA-N 0 0 384.520 4.026 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000015134459 818293977 /nfs/dbraw/zinc/29/39/77/818293977.db2.gz RLFYGLATXUEFFE-UHFFFAOYSA-N 0 0 382.467 4.293 20 10 GICDRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000015134461 818294021 /nfs/dbraw/zinc/29/40/21/818294021.db2.gz WIBWNIPMGHNRJU-UHFFFAOYSA-N 0 0 387.842 4.439 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc(Cl)c1OC ZINC000016441256 818442233 /nfs/dbraw/zinc/44/22/33/818442233.db2.gz OBZNCVNIZHCEBM-ZSOIEALJSA-N 0 0 392.889 4.158 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000018150696 818551117 /nfs/dbraw/zinc/55/11/17/818551117.db2.gz SLRKFBAHDKXOCL-UHFFFAOYSA-N 0 0 397.519 4.050 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=S)NCCc2ccc(OC)cc2)cc1 ZINC000018944445 818581632 /nfs/dbraw/zinc/58/16/32/818581632.db2.gz QQEHMDGLCKISGL-UHFFFAOYSA-N 0 0 385.577 4.090 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccc(-c4cccs4)nc3C)CC2)cc1 ZINC000057916534 823347809 /nfs/dbraw/zinc/34/78/09/823347809.db2.gz DRAOYYIXWYLHIJ-UHFFFAOYSA-N 0 0 393.512 4.090 20 10 GICDRN COc1ccc(N2CCN([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000058031698 823356410 /nfs/dbraw/zinc/35/64/10/823356410.db2.gz RNCVQAWUTCPOJJ-OAHLLOKOSA-N 0 0 398.894 4.282 20 10 GICDRN Cn1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000021728594 818731111 /nfs/dbraw/zinc/73/11/11/818731111.db2.gz DRLCYEZDWUMWBJ-GOSISDBHSA-N 0 0 381.501 4.043 20 10 GICDRN Cn1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000021728589 818731191 /nfs/dbraw/zinc/73/11/91/818731191.db2.gz DRLCYEZDWUMWBJ-SFHVURJKSA-N 0 0 381.501 4.043 20 10 GICDRN COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000023237631 818916098 /nfs/dbraw/zinc/91/60/98/818916098.db2.gz MKVVAEBWKHZFPX-KRWDZBQOSA-N 0 0 398.484 4.401 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)c1 ZINC000023551591 818957771 /nfs/dbraw/zinc/95/77/71/818957771.db2.gz NISZOMVPDZSXKS-UHFFFAOYSA-N 0 0 398.484 4.461 20 10 GICDRN CCN(C(C)=O)c1nc(COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cs1 ZINC000023581595 818960583 /nfs/dbraw/zinc/96/05/83/818960583.db2.gz KVVBWKCLFZTVDN-UHFFFAOYSA-N 0 0 397.500 4.280 20 10 GICDRN COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000024207893 819034090 /nfs/dbraw/zinc/03/40/90/819034090.db2.gz WRIPNOTWSCBIOA-UHFFFAOYSA-N 0 0 394.515 4.089 20 10 GICDRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCCCSc1nccs1 ZINC000177161578 823387151 /nfs/dbraw/zinc/38/71/51/823387151.db2.gz JMOKYHBUXVZVOW-CYBMUJFWSA-N 0 0 391.345 4.172 20 10 GICDRN Cc1ccc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 ZINC000189448612 823419376 /nfs/dbraw/zinc/41/93/76/823419376.db2.gz WWJJBOSAUAVETL-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN COc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 ZINC000189446091 823418404 /nfs/dbraw/zinc/41/84/04/823418404.db2.gz YQEMLEXHCLAOEV-MRXNPFEDSA-N 0 0 389.455 4.010 20 10 GICDRN Cc1cccc(F)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446867 823418766 /nfs/dbraw/zinc/41/87/66/823418766.db2.gz YYOPHAHGOZXWBW-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1cccc(F)c1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446835 823418780 /nfs/dbraw/zinc/41/87/80/823418780.db2.gz YYOPHAHGOZXWBW-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccccc1C ZINC000024949501 819898925 /nfs/dbraw/zinc/89/89/25/819898925.db2.gz SREFVCVVIUFSNN-UHFFFAOYSA-N 0 0 389.499 4.388 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3F)C2=O)cc1O ZINC000028975214 820378591 /nfs/dbraw/zinc/37/85/91/820378591.db2.gz APUVMHZKSCGBKC-CHHVJCJISA-N 0 0 379.409 4.085 20 10 GICDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238377 823483629 /nfs/dbraw/zinc/48/36/29/823483629.db2.gz YYFVWEXJLSEKLP-LSDHHAIUSA-N 0 0 384.505 4.047 20 10 GICDRN CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000123355660 823500865 /nfs/dbraw/zinc/50/08/65/823500865.db2.gz TVHXGGPWOZBSHL-DEOSSOPVSA-N 0 0 394.559 4.026 20 10 GICDRN COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1 ZINC000035039041 821063637 /nfs/dbraw/zinc/06/36/37/821063637.db2.gz PPSYSROMLBSNEP-WOJGMQOQSA-N 0 0 399.493 4.312 20 10 GICDRN COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 ZINC000035038887 821063743 /nfs/dbraw/zinc/06/37/43/821063743.db2.gz DDLDDCWPZUCKBN-QGOAFFKASA-N 0 0 385.510 4.148 20 10 GICDRN Cn1cc(/C=C2/CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c(C(F)F)n1 ZINC000460876513 823534569 /nfs/dbraw/zinc/53/45/69/823534569.db2.gz PQLATJCDERNKNL-YWEYNIOJSA-N 0 0 397.212 4.319 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 ZINC000042047220 821257076 /nfs/dbraw/zinc/25/70/76/821257076.db2.gz UQGABGKJGVJZKV-UHFFFAOYSA-N 0 0 378.497 4.386 20 10 GICDRN Cc1ccc(S(=O)(=O)CCCN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000180794012 821462223 /nfs/dbraw/zinc/46/22/23/821462223.db2.gz OYVZKNGQYZBNFU-UHFFFAOYSA-N 0 0 399.512 4.160 20 10 GICDRN CCCc1noc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000043896332 821485061 /nfs/dbraw/zinc/48/50/61/821485061.db2.gz KECHAXIKCOHPCS-INIZCTEOSA-N 0 0 384.505 4.357 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(OCc2ccccc2)cc1 ZINC000180912736 821533565 /nfs/dbraw/zinc/53/35/65/821533565.db2.gz YUBDPRIBSPYAJH-UKTHLTGXSA-N 0 0 375.424 4.006 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180923071 821539846 /nfs/dbraw/zinc/53/98/46/821539846.db2.gz ZOVACAHPZLXAAC-UHFFFAOYSA-N 0 0 395.301 4.160 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000045013205 821690792 /nfs/dbraw/zinc/69/07/92/821690792.db2.gz UCSISUKWAIUWJP-UHFFFAOYSA-N 0 0 389.499 4.389 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1[O-] ZINC000181313220 821751922 /nfs/dbraw/zinc/75/19/22/821751922.db2.gz YKZVIRFNTBNQJH-LBPRGKRZSA-N 0 0 388.851 4.056 20 10 GICDRN COc1ccc(O)c([C@H](C)NCc2csc(COc3ccc(F)cc3)n2)c1 ZINC000182361626 822215499 /nfs/dbraw/zinc/21/54/99/822215499.db2.gz PTBMNNYGDWCENG-ZDUSSCGKSA-N 0 0 388.464 4.426 20 10 GICDRN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(O)c(O)c1 ZINC000182544793 822294280 /nfs/dbraw/zinc/29/42/80/822294280.db2.gz JRPBCZHCZMMQCF-UHFFFAOYSA-N 0 0 375.424 4.044 20 10 GICDRN Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000182599728 822318103 /nfs/dbraw/zinc/31/81/03/822318103.db2.gz QUHGHGVCMLRDKV-UHFFFAOYSA-N 0 0 395.547 4.041 20 10 GICDRN CC(=O)c1cc(F)cc(CN[C@H](c2cccc(F)c2F)C(F)(F)F)c1O ZINC000182610007 822321533 /nfs/dbraw/zinc/32/15/33/822321533.db2.gz PSYFWLXUOLMEFW-MRXNPFEDSA-N 0 0 377.284 4.405 20 10 GICDRN O=[N+]([O-])c1ccn(CCSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000178490476 822384818 /nfs/dbraw/zinc/38/48/18/822384818.db2.gz NHKHTWDPWCDTSK-UHFFFAOYSA-N 0 0 395.444 4.088 20 10 GICDRN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000182929312 822394840 /nfs/dbraw/zinc/39/48/40/822394840.db2.gz GUSNDSVGGCSFDQ-MRXNPFEDSA-N 0 0 375.538 4.386 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000182940770 822396871 /nfs/dbraw/zinc/39/68/71/822396871.db2.gz DUVUAOVBJWIDNM-UHFFFAOYSA-N 0 0 380.473 4.307 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178851643 822416506 /nfs/dbraw/zinc/41/65/06/822416506.db2.gz JOEYTSAJVCSTTL-UHFFFAOYSA-N 0 0 394.475 4.069 20 10 GICDRN O=C(c1cc2ccccc2c(Cl)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179126588 822441092 /nfs/dbraw/zinc/44/10/92/822441092.db2.gz OZNQKTSPCMSKAC-KRWDZBQOSA-N 0 0 396.874 4.415 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000183439012 822475141 /nfs/dbraw/zinc/47/51/41/822475141.db2.gz XCZLEGKVSAMTEU-QWHCGFSZSA-N 0 0 381.394 4.358 20 10 GICDRN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183473960 822480903 /nfs/dbraw/zinc/48/09/03/822480903.db2.gz WJBDYSBXHJOJBG-LLVKDONJSA-N 0 0 386.448 4.030 20 10 GICDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@@H](C)c1ccccc1 ZINC000183475448 822481374 /nfs/dbraw/zinc/48/13/74/822481374.db2.gz BIEZDOVYFNHUQZ-RDJZCZTQSA-N 0 0 392.499 4.486 20 10 GICDRN COCCn1ccc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc21 ZINC000179432572 822481781 /nfs/dbraw/zinc/48/17/81/822481781.db2.gz LMTOHXVEWPWZAJ-UHFFFAOYSA-N 0 0 392.503 4.210 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000183482442 822483012 /nfs/dbraw/zinc/48/30/12/822483012.db2.gz QGUQSMHBSMTXML-MRXNPFEDSA-N 0 0 377.440 4.038 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000046611593 822491978 /nfs/dbraw/zinc/49/19/78/822491978.db2.gz ZFRLPLUYGKFAII-CQSZACIVSA-N 0 0 377.435 4.257 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000183599186 822499563 /nfs/dbraw/zinc/49/95/63/822499563.db2.gz GPGYJDIOURCHJO-NSHDSACASA-N 0 0 390.365 4.012 20 10 GICDRN COc1cc(C)c([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1OC ZINC000179626296 822515293 /nfs/dbraw/zinc/51/52/93/822515293.db2.gz FXQDBPBYNNFANA-LBPRGKRZSA-N 0 0 377.868 4.425 20 10 GICDRN CCCC(=O)Nc1cccc(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)c1 ZINC000046850766 822524492 /nfs/dbraw/zinc/52/44/92/822524492.db2.gz SWUIKZLVMKOLME-UHFFFAOYSA-N 0 0 396.535 4.223 20 10 GICDRN Cc1cc(O)c(CNc2ccccc2OCC(=O)Nc2cccnc2)cc1C ZINC000183771771 822525974 /nfs/dbraw/zinc/52/59/74/822525974.db2.gz PQFMRIUHEILFES-UHFFFAOYSA-N 0 0 377.444 4.034 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000047036734 822538634 /nfs/dbraw/zinc/53/86/34/822538634.db2.gz XXJZIIWAFRXKDT-IBGZPJMESA-N 0 0 387.574 4.348 20 10 GICDRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183870835 822538618 /nfs/dbraw/zinc/53/86/18/822538618.db2.gz MZDVJSRCZSETGZ-MRXNPFEDSA-N 0 0 383.540 4.107 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2nnn(C)c2c1 ZINC000184041635 822569489 /nfs/dbraw/zinc/56/94/89/822569489.db2.gz ODSAMXGJOCXZOF-MRXNPFEDSA-N 0 0 386.455 4.078 20 10 GICDRN CCCCc1nnc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000047350760 822569869 /nfs/dbraw/zinc/56/98/69/822569869.db2.gz YONSIBZDRKUUFN-UHFFFAOYSA-N 0 0 386.477 4.414 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000047399588 822575342 /nfs/dbraw/zinc/57/53/42/822575342.db2.gz LAPOIOHGTFXPNL-UHFFFAOYSA-N 0 0 381.457 4.370 20 10 GICDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939023 822581035 /nfs/dbraw/zinc/58/10/35/822581035.db2.gz HSLHMGDJLXYCMX-GOSISDBHSA-N 0 0 386.561 4.273 20 10 GICDRN COc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC(C)C ZINC000184186186 822592784 /nfs/dbraw/zinc/59/27/84/822592784.db2.gz LXWMRLCRJOUUQV-UHFFFAOYSA-N 0 0 381.476 4.180 20 10 GICDRN Cc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(C)n1-c1ccccc1C ZINC000184276029 822607349 /nfs/dbraw/zinc/60/73/49/822607349.db2.gz WPZCZQCZJWFTDI-UHFFFAOYSA-N 0 0 396.454 4.107 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000048125266 822636306 /nfs/dbraw/zinc/63/63/06/822636306.db2.gz FZZXFCRKLKGUSZ-UHFFFAOYSA-N 0 0 393.418 4.448 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000048797558 822683758 /nfs/dbraw/zinc/68/37/58/822683758.db2.gz PVTDMMCTOMRGNO-UHFFFAOYSA-N 0 0 389.062 4.346 20 10 GICDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180505224 822692555 /nfs/dbraw/zinc/69/25/55/822692555.db2.gz MLOWYTAIRBPHBO-ZFWWWQNUSA-N 0 0 382.869 4.103 20 10 GICDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000180505204 822692589 /nfs/dbraw/zinc/69/25/89/822692589.db2.gz MLOWYTAIRBPHBO-DZGCQCFKSA-N 0 0 382.869 4.103 20 10 GICDRN CSc1cccc(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000184938546 822715847 /nfs/dbraw/zinc/71/58/47/822715847.db2.gz VFXBAHBFELBQCE-UHFFFAOYSA-N 0 0 389.496 4.014 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(COc2ccccc2F)on1 ZINC000185063449 822731337 /nfs/dbraw/zinc/73/13/37/822731337.db2.gz VSXUPIWADNWXFX-UHFFFAOYSA-N 0 0 397.450 4.121 20 10 GICDRN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1ccc(F)cc1[O-] ZINC000185306438 822762844 /nfs/dbraw/zinc/76/28/44/822762844.db2.gz OZAOHJMFQBPMSR-JKSUJKDBSA-N 0 0 385.483 4.199 20 10 GICDRN Cc1cc(CSc2ccccc2C(=O)N2CCS[C@H](C(C)C)C2)on1 ZINC000174286628 822763363 /nfs/dbraw/zinc/76/33/63/822763363.db2.gz WWASKTBUPCUCSN-SFHVURJKSA-N 0 0 376.547 4.489 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(CC(F)(F)F)c1 ZINC000174314858 822769692 /nfs/dbraw/zinc/76/96/92/822769692.db2.gz ZQVWCRVBQAXUAN-UHFFFAOYSA-N 0 0 375.394 4.489 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000051714438 822776031 /nfs/dbraw/zinc/77/60/31/822776031.db2.gz DIDMLUQUJNYSPU-DENIHFKCSA-N 0 0 399.510 4.201 20 10 GICDRN COc1c(C)cnc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000051755287 822777645 /nfs/dbraw/zinc/77/76/45/822777645.db2.gz KOZVYSXJYPKBSJ-UHFFFAOYSA-N 0 0 396.535 4.039 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1c(F)cccc1F ZINC000174371356 822779699 /nfs/dbraw/zinc/77/96/99/822779699.db2.gz DLEFGIMRYYKQMR-UHFFFAOYSA-N 0 0 385.208 4.487 20 10 GICDRN COc1cccc(CNC(=O)NCc2c(OC(C)C)ccc3ccccc32)c1O ZINC000185435888 822783476 /nfs/dbraw/zinc/78/34/76/822783476.db2.gz UEACLXDXDIYYOQ-UHFFFAOYSA-N 0 0 394.471 4.341 20 10 GICDRN CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc(F)cc2c1OCOC2 ZINC000174425769 822788425 /nfs/dbraw/zinc/78/84/25/822788425.db2.gz KFLNFZOCOSAAKI-UHFFFAOYSA-N 0 0 396.256 4.182 20 10 GICDRN CN1CCCc2cc([C@H]3Nc4ccccc4C(=O)N3Cc3cccnc3)ccc21 ZINC000052118437 822790953 /nfs/dbraw/zinc/79/09/53/822790953.db2.gz QQFZQGDMGVTQHW-QHCPKHFHSA-N 0 0 384.483 4.231 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000185524991 822793454 /nfs/dbraw/zinc/79/34/54/822793454.db2.gz FRZNIGMVYFUROO-UHFFFAOYSA-N 0 0 396.506 4.034 20 10 GICDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncnc2ccccc21 ZINC000052426877 822798805 /nfs/dbraw/zinc/79/88/05/822798805.db2.gz YVNROACARDYHTH-UHFFFAOYSA-N 0 0 388.393 4.097 20 10 GICDRN CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185684355 822809971 /nfs/dbraw/zinc/80/99/71/822809971.db2.gz SHTHCIWJTWPIAV-YGRLFVJLSA-N 0 0 397.292 4.194 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(OCc2cccnc2)c1 ZINC000052807233 822811598 /nfs/dbraw/zinc/81/15/98/822811598.db2.gz PYAHTSIYDDWCOM-UHFFFAOYSA-N 0 0 387.483 4.191 20 10 GICDRN CCN(CC)c1ccc(CN[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174657179 822819251 /nfs/dbraw/zinc/81/92/51/822819251.db2.gz RIEQFXYQOZUOLB-INIZCTEOSA-N 0 0 380.492 4.442 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000174663219 822820352 /nfs/dbraw/zinc/82/03/52/822820352.db2.gz NHTXPEWBULZYKP-LLVKDONJSA-N 0 0 398.326 4.212 20 10 GICDRN CC(C)Sc1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000174749525 822832030 /nfs/dbraw/zinc/83/20/30/822832030.db2.gz CRQYGJSAGQLAGV-UHFFFAOYSA-N 0 0 392.908 4.143 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000185924224 822834100 /nfs/dbraw/zinc/83/41/00/822834100.db2.gz QJBLOYFYQNXKRB-UHFFFAOYSA-N 0 0 380.513 4.279 20 10 GICDRN CC[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1nc(C(F)(F)F)cs1 ZINC000185957780 822837277 /nfs/dbraw/zinc/83/72/77/822837277.db2.gz SGCDPIPNVMZMFG-GFCCVEGCSA-N 0 0 376.375 4.450 20 10 GICDRN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C)n(C(C)(C)C)n1 ZINC000053571162 822841120 /nfs/dbraw/zinc/84/11/20/822841120.db2.gz ABRMQWVOMBVSDO-UHFFFAOYSA-N 0 0 383.521 4.078 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000053661951 822843963 /nfs/dbraw/zinc/84/39/63/822843963.db2.gz BWJCVIBICYSMOD-HSZRJFAPSA-N 0 0 391.515 4.065 20 10 GICDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1[C@H]1CCOc2ccccc21 ZINC000174914257 822855210 /nfs/dbraw/zinc/85/52/10/822855210.db2.gz KHPLRXADCWOJKE-GYXHFJGISA-N 0 0 393.493 4.059 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000174929478 822857300 /nfs/dbraw/zinc/85/73/00/822857300.db2.gz BWATXNJHAZOREQ-UHFFFAOYSA-N 0 0 383.492 4.205 20 10 GICDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186191194 822859632 /nfs/dbraw/zinc/85/96/32/822859632.db2.gz XBAOQWBFHIYBGK-HIFRSBDPSA-N 0 0 393.314 4.398 20 10 GICDRN O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCSCC2)cc1 ZINC000054035255 822860201 /nfs/dbraw/zinc/86/02/01/822860201.db2.gz WUUVWFXHIYQWFF-UHFFFAOYSA-N 0 0 392.524 4.088 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCc1nc2ccccc2s1 ZINC000186438296 822895826 /nfs/dbraw/zinc/89/58/26/822895826.db2.gz RJSQLGWCUFFXGF-CQSZACIVSA-N 0 0 384.501 4.168 20 10 GICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2cc(F)ccc2F)cc1 ZINC000175192406 822901268 /nfs/dbraw/zinc/90/12/68/822901268.db2.gz BBKUUCBMFXDJTK-UHFFFAOYSA-N 0 0 386.364 4.164 20 10 GICDRN CCN(Cc1csc([C@@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285513 822924312 /nfs/dbraw/zinc/92/43/12/822924312.db2.gz DWIWPCZSWIQZQA-LLVKDONJSA-N 0 0 385.327 4.341 20 10 GICDRN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nccs1 ZINC000054999310 822929288 /nfs/dbraw/zinc/92/92/88/822929288.db2.gz BECAOENGUGQGTP-UHFFFAOYSA-N 0 0 394.499 4.372 20 10 GICDRN CC[C@@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccncc1 ZINC000175327294 822936102 /nfs/dbraw/zinc/93/61/02/822936102.db2.gz FFOFJWPHFVYYEI-MRXNPFEDSA-N 0 0 392.297 4.233 20 10 GICDRN CCOc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)c([N+](=O)[O-])cc1OC ZINC000055356944 822954403 /nfs/dbraw/zinc/95/44/03/822954403.db2.gz NWBKEEYVGGLXMI-UHFFFAOYSA-N 0 0 399.447 4.245 20 10 GICDRN COc1cc(C)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F ZINC000186792905 822956183 /nfs/dbraw/zinc/95/61/83/822956183.db2.gz VJIOGCRDLXHXBM-UHFFFAOYSA-N 0 0 389.496 4.018 20 10 GICDRN Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)CCC(=O)N4C)SC2=S)c1 ZINC000186838864 822965003 /nfs/dbraw/zinc/96/50/03/822965003.db2.gz NQFYAIZMPYUKTI-LDADJPATSA-N 0 0 394.521 4.310 20 10 GICDRN C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000175505581 822985566 /nfs/dbraw/zinc/98/55/66/822985566.db2.gz WGOKKCXHKFWWPF-UZLBHIALSA-N 0 0 398.503 4.253 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175570115 822999717 /nfs/dbraw/zinc/99/97/17/822999717.db2.gz AJSZVSRFWWNBKC-NWDGAFQWSA-N 0 0 398.381 4.421 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000175637887 823010879 /nfs/dbraw/zinc/01/08/79/823010879.db2.gz CNIBQINTQHPHQI-VGSWGCGISA-N 0 0 397.494 4.098 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000175782734 823039087 /nfs/dbraw/zinc/03/90/87/823039087.db2.gz STGJSEFAVZZAFZ-UHFFFAOYSA-N 0 0 395.503 4.381 20 10 GICDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1Cl ZINC000123880765 823548831 /nfs/dbraw/zinc/54/88/31/823548831.db2.gz REWULXHUXUONPS-UHFFFAOYSA-N 0 0 396.896 4.237 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1c1ccccc1F ZINC000123908698 823550806 /nfs/dbraw/zinc/55/08/06/823550806.db2.gz QTOSALYRZPLBJX-WJDWOHSUSA-N 0 0 385.489 4.227 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCC[C@H](C)C(C)=O ZINC000124435298 823596495 /nfs/dbraw/zinc/59/64/95/823596495.db2.gz LBAYMTWQQQUCFN-ZDUSSCGKSA-N 0 0 384.314 4.289 20 10 GICDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000124504736 823602199 /nfs/dbraw/zinc/60/21/99/823602199.db2.gz BZIGRRPAOJQGAN-HZPDHXFCSA-N 0 0 396.466 4.124 20 10 GICDRN Cc1csc(-c2cccc(C(=O)Nc3cccc(N4CCOCC4)c3)c2)n1 ZINC000062156360 823623646 /nfs/dbraw/zinc/62/36/46/823623646.db2.gz PSBWOMBXACKNAV-UHFFFAOYSA-N 0 0 379.485 4.207 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1COc1ccccc1 ZINC000190950270 823629298 /nfs/dbraw/zinc/62/92/98/823629298.db2.gz IKMOAZWHLMZDDJ-MRXNPFEDSA-N 0 0 392.455 4.430 20 10 GICDRN Cc1coc(-c2ccc(C)c(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2)n1 ZINC000190977696 823633517 /nfs/dbraw/zinc/63/35/17/823633517.db2.gz LDPQXIBQPJBDRT-CYBMUJFWSA-N 0 0 381.432 4.122 20 10 GICDRN O=C1O[C@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC12CCC2 ZINC000190989055 823635459 /nfs/dbraw/zinc/63/54/59/823635459.db2.gz PTBNWVYPJJTUFG-MSOLQXFVSA-N 0 0 398.528 4.307 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccncc1Br ZINC000124993403 823643226 /nfs/dbraw/zinc/64/32/26/823643226.db2.gz APCKZSHFYNWUER-UHFFFAOYSA-N 0 0 388.309 4.107 20 10 GICDRN COC(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125312558 823667084 /nfs/dbraw/zinc/66/70/84/823667084.db2.gz FSBQAHKZDHCGAM-UHFFFAOYSA-N 0 0 380.400 4.006 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C)cc2OCC2CC2)c1 ZINC000125470009 823678872 /nfs/dbraw/zinc/67/88/72/823678872.db2.gz JVFZDXQGPNNKHH-HNNXBMFYSA-N 0 0 384.476 4.058 20 10 GICDRN COc1cc(N(C)Cc2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC ZINC000125678514 823695857 /nfs/dbraw/zinc/69/58/57/823695857.db2.gz HSKJZDWLPWCICO-UHFFFAOYSA-N 0 0 389.839 4.052 20 10 GICDRN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000191579139 823703404 /nfs/dbraw/zinc/70/34/04/823703404.db2.gz SGTBIPVXOWGNEE-UHFFFAOYSA-N 0 0 397.519 4.031 20 10 GICDRN COc1ccc(-c2nc(CN(C)c3cc(OC)c(OC)c(OC)c3)co2)cc1 ZINC000125762222 823705615 /nfs/dbraw/zinc/70/56/15/823705615.db2.gz NRBFALLKSAUNRY-UHFFFAOYSA-N 0 0 384.432 4.012 20 10 GICDRN COc1cc(N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(OC)c1OC ZINC000125771036 823706948 /nfs/dbraw/zinc/70/69/48/823706948.db2.gz LKMYSVGGXDPULM-UHFFFAOYSA-N 0 0 389.839 4.052 20 10 GICDRN COc1ccc(-c2noc(CN(C)c3ccc(OC(C)C)cc3)n2)c(OC)c1 ZINC000191596282 823707026 /nfs/dbraw/zinc/70/70/26/823707026.db2.gz RAOGNNPSKRYSHF-UHFFFAOYSA-N 0 0 383.448 4.177 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC ZINC000125783732 823709418 /nfs/dbraw/zinc/70/94/18/823709418.db2.gz LMERZHMELRAQLZ-UHFFFAOYSA-N 0 0 392.883 4.058 20 10 GICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000574373431 823712201 /nfs/dbraw/zinc/71/22/01/823712201.db2.gz SDHGWAPTOHYLQI-UHFFFAOYSA-N 0 0 384.476 4.313 20 10 GICDRN O=C(NCCCSc1nccs1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000125883117 823736836 /nfs/dbraw/zinc/73/68/36/823736836.db2.gz FNEQAPNIZNCESQ-UHFFFAOYSA-N 0 0 397.525 4.052 20 10 GICDRN COc1ccc(CN(C)C(=O)CSc2ncc(C(C)(C)C)s2)cc1OC ZINC000164068634 823775114 /nfs/dbraw/zinc/77/51/14/823775114.db2.gz QCFBHTHAVLSMAP-UHFFFAOYSA-N 0 0 394.562 4.209 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@H](c3cccc(Br)c3)C2)c1O ZINC000164240997 823788851 /nfs/dbraw/zinc/78/88/51/823788851.db2.gz ZMEHHNWBIDCQRK-SFHVURJKSA-N 0 0 392.293 4.045 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc3c(c2)CCC(=O)N3COC)cc1F ZINC000191953289 823822762 /nfs/dbraw/zinc/82/27/62/823822762.db2.gz YAXSYIBZJFKVEK-UHFFFAOYSA-N 0 0 385.483 4.167 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(COC(C)C)c3)CC2)cc1 ZINC000064533888 823838914 /nfs/dbraw/zinc/83/89/14/823838914.db2.gz FRGJMNNKFLNPDG-UHFFFAOYSA-N 0 0 397.519 4.364 20 10 GICDRN C[C@@H]1CN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCS(=O)(=O)C1 ZINC000192071139 823850601 /nfs/dbraw/zinc/85/06/01/823850601.db2.gz PTXJLRCJGBBVCT-UCMDFWOYSA-N 0 0 386.477 4.000 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc(Cl)ncc1Cl ZINC000126620009 823913183 /nfs/dbraw/zinc/91/31/83/823913183.db2.gz FDJAJASUVVTSHD-UHFFFAOYSA-N 0 0 397.217 4.416 20 10 GICDRN COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccncc2)cc1 ZINC000126654588 823920315 /nfs/dbraw/zinc/92/03/15/823920315.db2.gz RVUHJLSVWRPOIE-WEVVVXLNSA-N 0 0 379.847 4.385 20 10 GICDRN COc1cccc(CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1O ZINC000192339342 823951819 /nfs/dbraw/zinc/95/18/19/823951819.db2.gz PMXQJBYMQPWEEK-UHFFFAOYSA-N 0 0 380.448 4.032 20 10 GICDRN COc1c(C)cc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cc1C ZINC000170811104 823977641 /nfs/dbraw/zinc/97/76/41/823977641.db2.gz YPNFYENVNMSNSY-GZTJUZNOSA-N 0 0 384.526 4.151 20 10 GICDRN COc1ccc(N2CCC(NC(=O)/C=C/c3ccc(Cl)s3)CC2)cc1 ZINC000171018086 824038665 /nfs/dbraw/zinc/03/86/65/824038665.db2.gz KBRVUOJIHXPMFG-VQHVLOKHSA-N 0 0 376.909 4.209 20 10 GICDRN COc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC ZINC000120762503 823059136 /nfs/dbraw/zinc/05/91/36/823059136.db2.gz DSHWLYISRZPWER-ZRDIBKRKSA-N 0 0 393.439 4.245 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(N2CCCC2)c1 ZINC000120808181 823068404 /nfs/dbraw/zinc/06/84/04/823068404.db2.gz RZDFDZGSIORYMW-IBGZPJMESA-N 0 0 390.531 4.223 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@]34CCCc3ccccc34)CC2)cc1 ZINC000175909062 823070082 /nfs/dbraw/zinc/07/00/82/823070082.db2.gz DGDIWYZCRKIBTR-ILBGXUMGSA-N 0 0 390.527 4.074 20 10 GICDRN CCC(=O)c1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000120817774 823070271 /nfs/dbraw/zinc/07/02/71/823070271.db2.gz VQRRMXBYKUICJR-UHFFFAOYSA-N 0 0 393.439 4.186 20 10 GICDRN Cc1nc2ccccc2n1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000120853479 823077046 /nfs/dbraw/zinc/07/70/46/823077046.db2.gz CPKDDINVUZQQOU-UHFFFAOYSA-N 0 0 390.531 4.384 20 10 GICDRN CCc1nnc(-c2ccc(NC(=O)NCc3ccc(N(CC)CC)cc3)cc2)o1 ZINC000175999554 823092301 /nfs/dbraw/zinc/09/23/01/823092301.db2.gz QXLRMEKFIKSYAL-UHFFFAOYSA-N 0 0 393.491 4.467 20 10 GICDRN CCOc1cccc2[nH]cc(CC(=O)N(CC)Cc3ccc(N(C)C)cc3)c21 ZINC000187570760 823090108 /nfs/dbraw/zinc/09/01/08/823090108.db2.gz QPDHVKPKSXXQHZ-UHFFFAOYSA-N 0 0 379.504 4.224 20 10 GICDRN COCC(=O)N1CCc2cc(N[C@@H](C)c3ccc4ccccc4c3O)ccc21 ZINC000187654060 823106080 /nfs/dbraw/zinc/10/60/80/823106080.db2.gz ULJYPXGPQWIYMS-HNNXBMFYSA-N 0 0 376.456 4.254 20 10 GICDRN CC(=O)N(c1nc(CN(C)Cc2ccccc2O)cs1)c1ccccc1F ZINC000121147405 823127097 /nfs/dbraw/zinc/12/70/97/823127097.db2.gz SVNRMYBAJALERM-UHFFFAOYSA-N 0 0 385.464 4.304 20 10 GICDRN CN1CCCc2cc(CNC(=O)c3ccccc3NCc3cccnc3)ccc21 ZINC000176124446 823128632 /nfs/dbraw/zinc/12/86/32/823128632.db2.gz YOWJFZRSAJFSQK-UHFFFAOYSA-N 0 0 386.499 4.006 20 10 GICDRN C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000187871388 823150337 /nfs/dbraw/zinc/15/03/37/823150337.db2.gz ZPOADXFQAVCVGC-AWEZNQCLSA-N 0 0 376.447 4.048 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000056532064 823163758 /nfs/dbraw/zinc/16/37/58/823163758.db2.gz XNWKXMHNKHJGJK-UHFFFAOYSA-N 0 0 393.409 4.458 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc1 ZINC000056560242 823169688 /nfs/dbraw/zinc/16/96/88/823169688.db2.gz SHWQSMSUKSMOES-UHFFFAOYSA-N 0 0 377.847 4.232 20 10 GICDRN O=C(c1ccc2ccc(Cl)cc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176292485 823174075 /nfs/dbraw/zinc/17/40/75/823174075.db2.gz YNASGXKZJSUYAD-GOSISDBHSA-N 0 0 396.874 4.415 20 10 GICDRN O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccc(Br)cc1 ZINC000176328111 823183084 /nfs/dbraw/zinc/18/30/84/823183084.db2.gz WRROQUPAIXOWHK-ZSOIEALJSA-N 0 0 391.315 4.246 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NOCc1ccc(C(F)(F)F)cc1 ZINC000121498023 823194786 /nfs/dbraw/zinc/19/47/86/823194786.db2.gz MBUJMIASSHGHFO-UHFFFAOYSA-N 0 0 391.393 4.013 20 10 GICDRN CC(C)(C)OC(=O)NCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000121760177 823244773 /nfs/dbraw/zinc/24/47/73/823244773.db2.gz VTPKAMGPOSPIAR-UHFFFAOYSA-N 0 0 397.519 4.160 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000176623195 823251175 /nfs/dbraw/zinc/25/11/75/823251175.db2.gz NBLJCTXLFLVEIS-OAQYLSRUSA-N 0 0 396.531 4.203 20 10 GICDRN CC(=O)Nc1ccc(C)c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000188501978 823251938 /nfs/dbraw/zinc/25/19/38/823251938.db2.gz ZWVJPOXPZZYVAO-UHFFFAOYSA-N 0 0 378.428 4.095 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1F ZINC000176682905 823266816 /nfs/dbraw/zinc/26/68/16/823266816.db2.gz SITVAQCEJAHJAU-UHFFFAOYSA-N 0 0 395.438 4.141 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695501 823269891 /nfs/dbraw/zinc/26/98/91/823269891.db2.gz SBKQJQAOZDALPN-GOSISDBHSA-N 0 0 385.471 4.131 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000121888478 823270591 /nfs/dbraw/zinc/27/05/91/823270591.db2.gz CPACZPSBWZXHDL-KNQAVFIVSA-N 0 0 399.510 4.391 20 10 GICDRN Cc1cc(C(=O)Nc2ccnc(C(=O)N(C)C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176704605 823272501 /nfs/dbraw/zinc/27/25/01/823272501.db2.gz HDGAZTAWAXPAAO-UHFFFAOYSA-N 0 0 390.487 4.060 20 10 GICDRN COc1ccc(O)c([C@H](C)NCc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000121936990 823280329 /nfs/dbraw/zinc/28/03/29/823280329.db2.gz XMMXZWFRFJAYDY-LBPRGKRZSA-N 0 0 385.489 4.242 20 10 GICDRN Cc1cc(C(=O)COc2ccc(Cl)cc2C(N)=O)c(C)n1-c1ccccc1 ZINC000007022656 817739219 /nfs/dbraw/zinc/73/92/19/817739219.db2.gz LXQJLRLDCQLWFQ-UHFFFAOYSA-N 0 0 382.847 4.108 20 10 GICDRN CNc1nnc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1 ZINC000007102909 817760065 /nfs/dbraw/zinc/76/00/65/817760065.db2.gz ZGOWMALONKXPIM-UHFFFAOYSA-N 0 0 376.482 4.101 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000007176651 817782698 /nfs/dbraw/zinc/78/26/98/817782698.db2.gz LUFPJCVTUJZHAE-HNNXBMFYSA-N 0 0 397.862 4.327 20 10 GICDRN CN(CCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000007368914 817825756 /nfs/dbraw/zinc/82/57/56/817825756.db2.gz SEDRVUKJYAPENB-UHFFFAOYSA-N 0 0 383.439 4.398 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000007435557 817840970 /nfs/dbraw/zinc/84/09/70/817840970.db2.gz TVNWTPYRUXEFNS-UHFFFAOYSA-N 0 0 393.915 4.145 20 10 GICDRN COc1cc(OC)c(OC)cc1C=C1SC(Nc2cc(C)ccc2C)=NC1=O ZINC000007587320 817875239 /nfs/dbraw/zinc/87/52/39/817875239.db2.gz AWVODZZTGUUVDN-GRSHGNNSSA-N 0 0 398.484 4.412 20 10 GICDRN CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000007614893 817879793 /nfs/dbraw/zinc/87/97/93/817879793.db2.gz VDLYKPADUYJLJK-UHFFFAOYSA-N 0 0 385.419 4.042 20 10 GICDRN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000007779386 817913997 /nfs/dbraw/zinc/91/39/97/817913997.db2.gz YKFCZIYJHKUNHZ-BUHFOSPRSA-N 0 0 394.906 4.230 20 10 GICDRN CN(C)c1ccc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000008209112 818018313 /nfs/dbraw/zinc/01/83/13/818018313.db2.gz FIAWSRVEFNAZHB-UHFFFAOYSA-N 0 0 387.694 4.408 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1C ZINC000011293783 818069508 /nfs/dbraw/zinc/06/95/08/818069508.db2.gz VUDBNAWNDDGWMK-PDGQHHTCSA-N 0 0 384.526 4.475 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011437405 818081230 /nfs/dbraw/zinc/08/12/30/818081230.db2.gz RUUZVJPLOKZJPR-INIZCTEOSA-N 0 0 387.439 4.249 20 10 GICDRN NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000011645829 818103932 /nfs/dbraw/zinc/10/39/32/818103932.db2.gz NRWIQUNFWOVVKA-LJQANCHMSA-N 0 0 393.512 4.120 20 10 GICDRN Cc1cc(CCNC(=O)CCc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1 ZINC000011719195 818113405 /nfs/dbraw/zinc/11/34/05/818113405.db2.gz OGMGBMGCMGVMIC-UHFFFAOYSA-N 0 0 386.499 4.262 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000188852950 823317281 /nfs/dbraw/zinc/31/72/81/823317281.db2.gz UOPKJDNNYYSPAO-OAHLLOKOSA-N 0 0 383.521 4.088 20 10 GICDRN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000015134935 818294017 /nfs/dbraw/zinc/29/40/17/818294017.db2.gz QVKVGTLKPQMFEK-UHFFFAOYSA-N 0 0 396.922 4.198 20 10 GICDRN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)cc2)N1C[C@H]1CCCO1 ZINC000015503792 818331672 /nfs/dbraw/zinc/33/16/72/818331672.db2.gz LQJLEXJHUWFUEM-NFBKMPQASA-N 0 0 391.515 4.422 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000015528440 818333741 /nfs/dbraw/zinc/33/37/41/818333741.db2.gz YGNOZAIXMLSPCA-UHFFFAOYSA-N 0 0 389.499 4.422 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(F)ccc2s1 ZINC000016134925 818396406 /nfs/dbraw/zinc/39/64/06/818396406.db2.gz WWGLQKBQEVPEMW-UHFFFAOYSA-N 0 0 384.476 4.149 20 10 GICDRN O=C1/C(=C\c2ccc(N3CCCC3)nc2)SC(=S)N1Cc1ccccc1 ZINC000176963455 823335840 /nfs/dbraw/zinc/33/58/40/823335840.db2.gz FTBKECDDXNGWIM-SFQUDFHCSA-N 0 0 381.526 4.083 20 10 GICDRN COc1cc2nc(C(Cl)=Cc3ccc(N(C)C)cc3)[nH]c(=O)c2cc1OC ZINC000057815286 823336279 /nfs/dbraw/zinc/33/62/79/823336279.db2.gz HMXZCWFBVWCISR-DHDCSXOGSA-N 0 0 385.851 4.156 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000122348506 823342031 /nfs/dbraw/zinc/34/20/31/823342031.db2.gz BAYYNPNGAYXGGQ-UHFFFAOYSA-N 0 0 398.507 4.099 20 10 GICDRN Cn1cccc1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000021728542 818731329 /nfs/dbraw/zinc/73/13/29/818731329.db2.gz JGZHGSFZGSWFQM-KRWDZBQOSA-N 0 0 381.501 4.043 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000023019098 818888246 /nfs/dbraw/zinc/88/82/46/818888246.db2.gz UGIPGJCNGRPZEG-UHFFFAOYSA-N 0 0 397.500 4.026 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N(C[C@@H]3CCCO3)C3CCCC3)ccc21 ZINC000460461453 823397525 /nfs/dbraw/zinc/39/75/25/823397525.db2.gz LZAYIMUUBPCHCN-NRFANRHFSA-N 0 0 398.547 4.468 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N(C[C@H]3CCCO3)C3CCCC3)ccc21 ZINC000460461454 823397584 /nfs/dbraw/zinc/39/75/84/823397584.db2.gz LZAYIMUUBPCHCN-OAQYLSRUSA-N 0 0 398.547 4.468 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1c(F)cccc1F)c1ccc(N)cc1 ZINC000189447633 823418968 /nfs/dbraw/zinc/41/89/68/823418968.db2.gz RQUFXWFEWVSMJN-CQSZACIVSA-N 0 0 395.409 4.280 20 10 GICDRN CC[C@H](C)n1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000122820015 823418057 /nfs/dbraw/zinc/41/80/57/823418057.db2.gz UDWDWMNISLBZSE-INIZCTEOSA-N 0 0 396.535 4.139 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(C)n1 ZINC000189448532 823419424 /nfs/dbraw/zinc/41/94/24/823419424.db2.gz HTQVXZOUMSNUPU-KRWDZBQOSA-N 0 0 388.471 4.014 20 10 GICDRN CN1CCCc2cc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)ccc21 ZINC000058770243 823448031 /nfs/dbraw/zinc/44/80/31/823448031.db2.gz DJPJFHWBDVDLNQ-UHFFFAOYSA-N 0 0 389.499 4.363 20 10 GICDRN COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000027072619 820189505 /nfs/dbraw/zinc/18/95/05/820189505.db2.gz ODXNRSWJNNLVPK-UHFFFAOYSA-N 0 0 383.807 4.234 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1cnc2ccccc2n1 ZINC000027156896 820202213 /nfs/dbraw/zinc/20/22/13/820202213.db2.gz IFEWRRHHGXNDFM-SDNWHVSQSA-N 0 0 386.499 4.292 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(Cc2ccccc2Cl)c1 ZINC000028625525 820346296 /nfs/dbraw/zinc/34/62/96/820346296.db2.gz ADXWJWHVDBCHAL-YVLHZVERSA-N 0 0 386.908 4.041 20 10 GICDRN Cc1cc(C(=O)NCc2ccccn2)c(C)n1-c1ccc(Br)cc1 ZINC000029516975 820467048 /nfs/dbraw/zinc/46/70/48/820467048.db2.gz WNPAVHZJZORSTQ-UHFFFAOYSA-N 0 0 384.277 4.182 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123253589 823485947 /nfs/dbraw/zinc/48/59/47/823485947.db2.gz KBCWUNWVAFYMER-LSDHHAIUSA-N 0 0 394.475 4.016 20 10 GICDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)no1 ZINC000123238593 823483753 /nfs/dbraw/zinc/48/37/53/823483753.db2.gz YYFVWEXJLSEKLP-HUUCEWRRSA-N 0 0 384.505 4.047 20 10 GICDRN Cc1cc(C(=O)NCc2coc(-c3cccs3)n2)c(C)n1-c1ccccn1 ZINC000030586959 820646623 /nfs/dbraw/zinc/64/66/23/820646623.db2.gz AKWIJXWKPWRVHP-UHFFFAOYSA-N 0 0 378.457 4.136 20 10 GICDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(O)c1O ZINC000177685522 823513316 /nfs/dbraw/zinc/51/33/16/823513316.db2.gz OVDRBLRRKMLMRA-MRXNPFEDSA-N 0 0 393.487 4.357 20 10 GICDRN COc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1OC ZINC000123519401 823516729 /nfs/dbraw/zinc/51/67/29/823516729.db2.gz HQQJRMKESJNAAD-UHFFFAOYSA-N 0 0 397.519 4.036 20 10 GICDRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000040867656 821165645 /nfs/dbraw/zinc/16/56/45/821165645.db2.gz MVNWIAYXDCKLOI-WJDWOHSUSA-N 0 0 387.457 4.408 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccc(Br)s1 ZINC000042412553 821307356 /nfs/dbraw/zinc/30/73/56/821307356.db2.gz UDYGTLRVCOAWPE-UHFFFAOYSA-N 0 0 377.101 4.269 20 10 GICDRN CCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000042745931 821330229 /nfs/dbraw/zinc/33/02/29/821330229.db2.gz QBMLRIVWTINIGL-UHFFFAOYSA-N 0 0 399.510 4.002 20 10 GICDRN CN(C)C(=O)C1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000043189146 821376460 /nfs/dbraw/zinc/37/64/60/821376460.db2.gz UPIWFUOMFMLXGE-WCWDXBQESA-N 0 0 379.464 4.434 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000180866018 821502301 /nfs/dbraw/zinc/50/23/01/821502301.db2.gz FAIQRLLPMRLGGF-ZQAUEJBPSA-N 0 0 380.831 4.065 20 10 GICDRN COc1ccc(O)c(CNc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 ZINC000181021411 821597020 /nfs/dbraw/zinc/59/70/20/821597020.db2.gz HRQXAQHRKTULJV-UHFFFAOYSA-N 0 0 388.467 4.145 20 10 GICDRN COc1ccc(O)c(CNc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000181070404 821617758 /nfs/dbraw/zinc/61/77/58/821617758.db2.gz ZATZEBJJRNHMTG-UHFFFAOYSA-N 0 0 377.366 4.277 20 10 GICDRN COCCn1ccc2ccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)cc21 ZINC000181355478 821783189 /nfs/dbraw/zinc/78/31/89/821783189.db2.gz CFMQLWBRSIOGLJ-UHFFFAOYSA-N 0 0 388.471 4.343 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC000181419332 821816910 /nfs/dbraw/zinc/81/69/10/821816910.db2.gz VZZPRSDWXMSEBZ-JTQLQIEISA-N 0 0 384.354 4.067 20 10 GICDRN C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(N2CCCCC2)c(F)c1 ZINC000182295121 822191575 /nfs/dbraw/zinc/19/15/75/822191575.db2.gz ALWZZBUYQUSVIN-OAHLLOKOSA-N 0 0 383.467 4.344 20 10 GICDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000182544636 822293654 /nfs/dbraw/zinc/29/36/54/822293654.db2.gz IJYJQALLBALYFF-UHFFFAOYSA-N 0 0 382.466 4.366 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000182794261 822368458 /nfs/dbraw/zinc/36/84/58/822368458.db2.gz OWQQYIQLMMDCMN-UHFFFAOYSA-N 0 0 395.837 4.119 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000045351286 822380589 /nfs/dbraw/zinc/38/05/89/822380589.db2.gz ZRFDALQSKIQYBR-DYESRHJHSA-N 0 0 398.503 4.243 20 10 GICDRN COc1cc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1 ZINC000045582154 822397004 /nfs/dbraw/zinc/39/70/04/822397004.db2.gz ZDGIJPAEYGWNDZ-UHFFFAOYSA-N 0 0 396.531 4.285 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045659184 822403304 /nfs/dbraw/zinc/40/33/04/822403304.db2.gz RWFLDCAWBDVWHD-MRXNPFEDSA-N 0 0 394.519 4.004 20 10 GICDRN O=S(=O)(c1cccc2cnccc21)N(Cc1ccccc1O)C1CCCC1 ZINC000178727822 822405972 /nfs/dbraw/zinc/40/59/72/822405972.db2.gz RCUUWFAWGSGMRD-UHFFFAOYSA-N 0 0 382.485 4.074 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)cc1 ZINC000178952501 822424223 /nfs/dbraw/zinc/42/42/23/822424223.db2.gz UAVMOEMFODHCBV-UHFFFAOYSA-N 0 0 396.535 4.122 20 10 GICDRN C[C@H](C(=O)Nc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1)n1cccn1 ZINC000183195769 822439627 /nfs/dbraw/zinc/43/96/27/822439627.db2.gz AKPXEKAHTUQWFJ-DLBZAZTESA-N 0 0 377.492 4.322 20 10 GICDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1-c1ccccn1 ZINC000179326096 822466546 /nfs/dbraw/zinc/46/65/46/822466546.db2.gz CDBWLXYVCRWBLS-UHFFFAOYSA-N 0 0 387.483 4.287 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000183438991 822475117 /nfs/dbraw/zinc/47/51/17/822475117.db2.gz XCZLEGKVSAMTEU-STQMWFEESA-N 0 0 381.394 4.358 20 10 GICDRN CC(=O)c1cc(F)cc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)c1O ZINC000183457049 822477659 /nfs/dbraw/zinc/47/76/59/822477659.db2.gz SRRWPSGPFWBENS-MRXNPFEDSA-N 0 0 377.284 4.405 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000046685885 822505167 /nfs/dbraw/zinc/50/51/67/822505167.db2.gz QAPHCLCUPAWSES-UHFFFAOYSA-N 0 0 381.457 4.340 20 10 GICDRN CCc1cccc(CC)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000047344950 822568832 /nfs/dbraw/zinc/56/88/32/822568832.db2.gz NLWLKYBRCAVRIK-UHFFFAOYSA-N 0 0 385.483 4.109 20 10 GICDRN Cc1c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cccc1N1CCOC1=O ZINC000180019231 822597944 /nfs/dbraw/zinc/59/79/44/822597944.db2.gz XFFPSHRBSOCEMN-INIZCTEOSA-N 0 0 399.466 4.100 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000180068308 822608486 /nfs/dbraw/zinc/60/84/86/822608486.db2.gz UJYAONOUAUCEKH-IRXDYDNUSA-N 0 0 389.565 4.144 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000180195762 822637243 /nfs/dbraw/zinc/63/72/43/822637243.db2.gz DAMXJFQEOHFNEQ-BTDLBPIBSA-N 0 0 384.259 4.009 20 10 GICDRN Cc1cc(Br)cc2c1NC(=O)/C2=C/c1nccn1CC(F)(F)F ZINC000180322962 822663167 /nfs/dbraw/zinc/66/31/67/822663167.db2.gz YTFGRDQNLYHTMD-IZZDOVSWSA-N 0 0 386.171 4.009 20 10 GICDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1[O-] ZINC000180505258 822692646 /nfs/dbraw/zinc/69/26/46/822692646.db2.gz MLOWYTAIRBPHBO-HIFRSBDPSA-N 0 0 382.869 4.103 20 10 GICDRN CCOc1ccc(O)c(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)c1 ZINC000180523084 822695783 /nfs/dbraw/zinc/69/57/83/822695783.db2.gz VCSLGPRLAWUIEU-UHFFFAOYSA-N 0 0 377.488 4.400 20 10 GICDRN COc1ccc([C@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961074 822718721 /nfs/dbraw/zinc/71/87/21/822718721.db2.gz XULIXIUMFNRPOG-HJPURHCSSA-N 0 0 391.515 4.453 20 10 GICDRN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185063916 822731472 /nfs/dbraw/zinc/73/14/72/822731472.db2.gz YIIJUJNOABMSJS-GFCCVEGCSA-N 0 0 397.302 4.017 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)c(C)n1-c1cccc(C)c1 ZINC000185205337 822749299 /nfs/dbraw/zinc/74/92/99/822749299.db2.gz FHMRFFKCNSOLJX-UHFFFAOYSA-N 0 0 398.466 4.201 20 10 GICDRN CN(C)c1ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1 ZINC000185390396 822777451 /nfs/dbraw/zinc/77/74/51/822777451.db2.gz YUJFXVHXVXVFBP-UHFFFAOYSA-N 0 0 375.520 4.273 20 10 GICDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000174606522 822811615 /nfs/dbraw/zinc/81/16/15/822811615.db2.gz FIJOIOQIFVKGJL-NRFANRHFSA-N 0 0 395.547 4.327 20 10 GICDRN c1cc(-c2nnc3ccc(NCc4ccc(N5CCCC5)cc4)nn32)cs1 ZINC000185752406 822817725 /nfs/dbraw/zinc/81/77/25/822817725.db2.gz ZMRUXJBYERUERV-UHFFFAOYSA-N 0 0 376.489 4.065 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000174663208 822820424 /nfs/dbraw/zinc/82/04/24/822820424.db2.gz NHTXPEWBULZYKP-NSHDSACASA-N 0 0 398.326 4.212 20 10 GICDRN CCOCc1cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC ZINC000174665265 822820617 /nfs/dbraw/zinc/82/06/17/822820617.db2.gz QULIBUCEELTVGC-AWEZNQCLSA-N 0 0 385.439 4.272 20 10 GICDRN COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC(C)C ZINC000186005886 822843211 /nfs/dbraw/zinc/84/32/11/822843211.db2.gz BMMWGRFIXFBTGS-QFIPXVFZSA-N 0 0 399.535 4.069 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000053661633 822843921 /nfs/dbraw/zinc/84/39/21/822843921.db2.gz JQTJSZZFDTXAJF-UHFFFAOYSA-N 0 0 379.529 4.467 20 10 GICDRN COc1ccc(N2CCCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000053772404 822847496 /nfs/dbraw/zinc/84/74/96/822847496.db2.gz JFRQHYCQKGHQHJ-UHFFFAOYSA-N 0 0 398.894 4.111 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOc2ccc(OCC)cc21 ZINC000186062424 822848482 /nfs/dbraw/zinc/84/84/82/822848482.db2.gz SGAQSXXUQGIHBT-IBGZPJMESA-N 0 0 384.476 4.236 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000174894279 822851957 /nfs/dbraw/zinc/85/19/57/822851957.db2.gz DDELQIGRZAVMHD-UHFFFAOYSA-N 0 0 391.265 4.144 20 10 GICDRN O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1CCc1cccnc1 ZINC000174913403 822854953 /nfs/dbraw/zinc/85/49/53/822854953.db2.gz JGNUYFRLLNRHRS-LDADJPATSA-N 0 0 377.494 4.074 20 10 GICDRN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035727 822860364 /nfs/dbraw/zinc/86/03/64/822860364.db2.gz MAODBTRRCMFEHY-UHFFFAOYSA-N 0 0 395.503 4.166 20 10 GICDRN C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1O ZINC000186249728 822864913 /nfs/dbraw/zinc/86/49/13/822864913.db2.gz NOKNRURUPPTCPP-HNNXBMFYSA-N 0 0 382.485 4.258 20 10 GICDRN Cc1cnc([C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1 ZINC000186368466 822883067 /nfs/dbraw/zinc/88/30/67/822883067.db2.gz LPPQAZVQFPBSFE-ZDUSSCGKSA-N 0 0 378.501 4.264 20 10 GICDRN COc1cc(Br)cc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1O ZINC000054430432 822884596 /nfs/dbraw/zinc/88/45/96/822884596.db2.gz JFHVTOBTAMULPM-OAHLLOKOSA-N 0 0 397.656 4.013 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000175133492 822889202 /nfs/dbraw/zinc/88/92/02/822889202.db2.gz CIPNENGKDNCDGM-UHFFFAOYSA-N 0 0 394.450 4.187 20 10 GICDRN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(Br)cc1O ZINC000186529018 822909096 /nfs/dbraw/zinc/90/90/96/822909096.db2.gz CYSBRBCDEMMOQH-SNVBAGLBSA-N 0 0 376.254 4.305 20 10 GICDRN COc1ccc(N2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000055396768 822957316 /nfs/dbraw/zinc/95/73/16/822957316.db2.gz GYZYCWZSOSGZEL-UHFFFAOYSA-N 0 0 397.482 4.027 20 10 GICDRN Cc1csc([C@H](C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000186808049 822958875 /nfs/dbraw/zinc/95/88/75/822958875.db2.gz XULQMBAPGXLANR-MRXNPFEDSA-N 0 0 386.565 4.387 20 10 GICDRN C[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1O ZINC000186828464 822962778 /nfs/dbraw/zinc/96/27/78/822962778.db2.gz QDOIFEMSVHEEPW-LLVKDONJSA-N 0 0 383.286 4.309 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000175449884 822971617 /nfs/dbraw/zinc/97/16/17/822971617.db2.gz RMRUETGYMDDUEN-UHFFFAOYSA-N 0 0 383.492 4.283 20 10 GICDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2F)C[C@H](C)O1 ZINC000055529522 822975166 /nfs/dbraw/zinc/97/51/66/822975166.db2.gz OMSBHBJTESGKIK-GASCZTMLSA-N 0 0 382.435 4.116 20 10 GICDRN Cc1ccc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)c(C)c3)n2)s1 ZINC000569855505 822976440 /nfs/dbraw/zinc/97/64/40/822976440.db2.gz BQZHCUGBRQUKKD-UHFFFAOYSA-N 0 0 395.509 4.222 20 10 GICDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000123894406 823549743 /nfs/dbraw/zinc/54/97/43/823549743.db2.gz FXEUXFYLVGYMDG-UHFFFAOYSA-N 0 0 396.468 4.344 20 10 GICDRN Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000124657236 823614849 /nfs/dbraw/zinc/61/48/49/823614849.db2.gz OREAQZDLCVROHU-UXHICEINSA-N 0 0 395.547 4.165 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000062005638 823621930 /nfs/dbraw/zinc/62/19/30/823621930.db2.gz TYUFELHAHCSANL-LJQANCHMSA-N 0 0 385.508 4.462 20 10 GICDRN Cc1coc(-c2cc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc2C)n1 ZINC000190979067 823633707 /nfs/dbraw/zinc/63/37/07/823633707.db2.gz YXBSAIUGQGORAF-CYBMUJFWSA-N 0 0 381.432 4.122 20 10 GICDRN C[C@H](NC(=O)CCCc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000124981324 823642461 /nfs/dbraw/zinc/64/24/61/823642461.db2.gz ZIGNFYRLLAZVIJ-INIZCTEOSA-N 0 0 388.458 4.002 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC([C@@H]4CCCO4)CC3)c2C)cc1 ZINC000191114249 823650607 /nfs/dbraw/zinc/65/06/07/823650607.db2.gz GRCIUDGXHVRPGM-QFIPXVFZSA-N 0 0 382.504 4.134 20 10 GICDRN C[C@@H](OCCCNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000125109943 823652372 /nfs/dbraw/zinc/65/23/72/823652372.db2.gz GEOPCPXNXPQIDJ-LJQANCHMSA-N 0 0 379.504 4.030 20 10 GICDRN CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 ZINC000125289318 823665194 /nfs/dbraw/zinc/66/51/94/823665194.db2.gz QIBNQOUWDHARQG-UHFFFAOYSA-N 0 0 381.863 4.359 20 10 GICDRN O=C(c1ccc(Cn2cccn2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000125325162 823668083 /nfs/dbraw/zinc/66/80/83/823668083.db2.gz JRJGHAFGOKVOSW-UHFFFAOYSA-N 0 0 387.439 4.073 20 10 GICDRN CC(C)Oc1ccc(N(C)Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000191579276 823703677 /nfs/dbraw/zinc/70/36/77/823703677.db2.gz CRJQKGCWIUFSRV-UHFFFAOYSA-N 0 0 395.528 4.497 20 10 GICDRN CC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000125855261 823729847 /nfs/dbraw/zinc/72/98/47/823729847.db2.gz COTMNOADRDHZCS-JOCHJYFZSA-N 0 0 397.519 4.077 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000125882558 823736746 /nfs/dbraw/zinc/73/67/46/823736746.db2.gz GHKYKTBPTKMSJL-UHFFFAOYSA-N 0 0 394.393 4.097 20 10 GICDRN CC(=O)N1CCN(c2ccc(CNc3ncc(-c4ccccc4)s3)cc2)CC1 ZINC000191856834 823797273 /nfs/dbraw/zinc/79/72/73/823797273.db2.gz KXLMFWRIMFTTSG-UHFFFAOYSA-N 0 0 392.528 4.091 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn2cc(Cl)ccc2n1 ZINC000064360108 823800341 /nfs/dbraw/zinc/80/03/41/823800341.db2.gz YPKQZEKOSKWKDO-KPKJPENVSA-N 0 0 382.876 4.320 20 10 GICDRN COCCCOC1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000126358627 823848034 /nfs/dbraw/zinc/84/80/34/823848034.db2.gz ORBCLTGALGYGAO-UHFFFAOYSA-N 0 0 384.520 4.060 20 10 GICDRN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCSc2nccs2)c1C#N ZINC000064661596 823859549 /nfs/dbraw/zinc/85/95/49/823859549.db2.gz BEHZDHQKDDUHJE-UHFFFAOYSA-N 0 0 386.502 4.195 20 10 GICDRN CCCc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cnn1-c1ccc(F)cc1 ZINC000192233025 823911170 /nfs/dbraw/zinc/91/11/70/823911170.db2.gz JKLLPKWRJVXFJX-VZUCSPMQSA-N 0 0 381.407 4.027 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000170630904 823922441 /nfs/dbraw/zinc/92/24/41/823922441.db2.gz JPGAGAZZHALMQH-GOSISDBHSA-N 0 0 397.519 4.081 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000170698522 823944793 /nfs/dbraw/zinc/94/47/93/823944793.db2.gz BZHZFOKYXJNHFF-QFIPXVFZSA-N 0 0 397.494 4.350 20 10 GICDRN COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1OC ZINC000170811106 823977544 /nfs/dbraw/zinc/97/75/44/823977544.db2.gz YIBJSCJRJRSJPE-UHFFFAOYSA-N 0 0 380.444 4.372 20 10 GICDRN CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000170818421 823979065 /nfs/dbraw/zinc/97/90/65/823979065.db2.gz UCLMHEJPLIWADB-LEWJYISDSA-N 0 0 382.504 4.104 20 10 GICDRN Cc1ncccc1/C=C1\SC(=S)N(c2ccc(OC(F)F)cc2)C1=O ZINC000170903593 824003488 /nfs/dbraw/zinc/00/34/88/824003488.db2.gz VUOXJIMEGKBALP-ZROIWOOFSA-N 0 0 378.425 4.397 20 10 GICDRN O=C1NC(=S)S/C1=C/c1csc(-c2cccc(Br)c2)n1 ZINC000192541137 824025764 /nfs/dbraw/zinc/02/57/64/824025764.db2.gz BEKSOLFYXLKCOT-BJMVGYQFSA-N 0 0 383.317 4.061 20 10 GICDRN CO[C@H](C)c1nc(C)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000175813180 823046142 /nfs/dbraw/zinc/04/61/42/823046142.db2.gz TZXGAQUQYCIMOB-MRXNPFEDSA-N 0 0 387.549 4.421 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2ncsc2c1 ZINC000175841704 823052843 /nfs/dbraw/zinc/05/28/43/823052843.db2.gz KLGDDACQDIZAAF-UHFFFAOYSA-N 0 0 391.290 4.427 20 10 GICDRN CCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1 ZINC000175869625 823059753 /nfs/dbraw/zinc/05/97/53/823059753.db2.gz BVVVAIZNGSQFOS-UHFFFAOYSA-N 0 0 395.547 4.089 20 10 GICDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(Cl)cc1F ZINC000120770958 823060741 /nfs/dbraw/zinc/06/07/41/823060741.db2.gz HXMDNVJNJBGCMP-AWEZNQCLSA-N 0 0 376.859 4.115 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nc(C(F)(F)F)n1 ZINC000187536928 823084543 /nfs/dbraw/zinc/08/45/43/823084543.db2.gz YURKPCSTWPMPSX-UHFFFAOYSA-N 0 0 392.425 4.066 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)cc1 ZINC000176132819 823131911 /nfs/dbraw/zinc/13/19/11/823131911.db2.gz HBSGVTYIKWBUDZ-UHFFFAOYSA-N 0 0 392.455 4.433 20 10 GICDRN COc1cccc(/C(C)=C/C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000176142167 823134001 /nfs/dbraw/zinc/13/40/01/823134001.db2.gz BQZXQOSOTSMDHT-ZDJZVTAXSA-N 0 0 381.472 4.012 20 10 GICDRN CC(C)c1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C(C)C)c1 ZINC000187892363 823153518 /nfs/dbraw/zinc/15/35/18/823153518.db2.gz SWQABEFTIOBAQK-OAHLLOKOSA-N 0 0 398.503 4.031 20 10 GICDRN COCCC1(CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCC1 ZINC000121289338 823156020 /nfs/dbraw/zinc/15/60/20/823156020.db2.gz GYFHZWWRUFIOMM-OCEACIFDSA-N 0 0 394.475 4.364 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)cc1 ZINC000176255533 823164392 /nfs/dbraw/zinc/16/43/92/823164392.db2.gz JOTXAHXIBVRANR-UHFFFAOYSA-N 0 0 392.455 4.479 20 10 GICDRN O=C(c1ccc2ccc(Cl)cc2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176292470 823174062 /nfs/dbraw/zinc/17/40/62/823174062.db2.gz YNASGXKZJSUYAD-SFHVURJKSA-N 0 0 396.874 4.415 20 10 GICDRN CCOc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1F ZINC000056702204 823195822 /nfs/dbraw/zinc/19/58/22/823195822.db2.gz ZMKSIQKLYKKXSZ-UHFFFAOYSA-N 0 0 389.496 4.099 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000056730036 823201560 /nfs/dbraw/zinc/20/15/60/823201560.db2.gz MQCHVDTZQJFREM-NRFANRHFSA-N 0 0 385.508 4.017 20 10 GICDRN Cc1cc(C(=O)NC[C@@H](O)c2ccncc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000121561969 823206107 /nfs/dbraw/zinc/20/61/07/823206107.db2.gz QOOITWUTYMVYFN-JOCHJYFZSA-N 0 0 377.488 4.076 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1F ZINC000121761444 823245269 /nfs/dbraw/zinc/24/52/69/823245269.db2.gz DTWDHRLLOIYCSX-UHFFFAOYSA-N 0 0 396.466 4.020 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c1O ZINC000176603095 823246212 /nfs/dbraw/zinc/24/62/12/823246212.db2.gz IQWWRMLEFOFSCI-OAHLLOKOSA-N 0 0 377.444 4.023 20 10 GICDRN CCCCCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001894821 817377241 /nfs/dbraw/zinc/37/72/41/817377241.db2.gz BHOADGRKZUWKFL-OWBHPGMISA-N 0 0 383.560 4.463 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000176683160 823266857 /nfs/dbraw/zinc/26/68/57/823266857.db2.gz CRZJSPNEBYNFGQ-LBPRGKRZSA-N 0 0 394.431 4.211 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1C(F)(F)F ZINC000188590533 823268104 /nfs/dbraw/zinc/26/81/04/823268104.db2.gz GMMLSTMVXPQXHF-UHFFFAOYSA-N 0 0 396.324 4.128 20 10 GICDRN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000005643791 817603587 /nfs/dbraw/zinc/60/35/87/817603587.db2.gz IGZCDUSNHHUNCE-QGZVFWFLSA-N 0 0 392.455 4.287 20 10 GICDRN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005860357 817623795 /nfs/dbraw/zinc/62/37/95/817623795.db2.gz XMXXPYCQWODZMU-CYBMUJFWSA-N 0 0 389.382 4.007 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176730765 823279862 /nfs/dbraw/zinc/27/98/62/823279862.db2.gz DEPDXNWFKRXMIN-MRXNPFEDSA-N 0 0 384.480 4.262 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000007176663 817782772 /nfs/dbraw/zinc/78/27/72/817782772.db2.gz VVJNTRCBNQKNLE-INIZCTEOSA-N 0 0 382.485 4.017 20 10 GICDRN CC(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)c1 ZINC000007191622 817787561 /nfs/dbraw/zinc/78/75/61/817787561.db2.gz WXJQUBXPOCODPC-UHFFFAOYSA-N 0 0 396.418 4.112 20 10 GICDRN COc1cc(OC)c(OC)cc1C=C1SC(Nc2ccc(C)cc2C)=NC1=O ZINC000007587336 817875402 /nfs/dbraw/zinc/87/54/02/817875402.db2.gz PBBGKZKHSWGEBN-GRSHGNNSSA-N 0 0 398.484 4.412 20 10 GICDRN CCC(C)(C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000011644481 818103574 /nfs/dbraw/zinc/10/35/74/818103574.db2.gz CAEDSHDTTHEMSB-QGZVFWFLSA-N 0 0 387.549 4.126 20 10 GICDRN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(CC)[nH]3)c2C)cc1 ZINC000011715563 818112653 /nfs/dbraw/zinc/11/26/53/818112653.db2.gz QUEIJLQVQLZHFW-UHFFFAOYSA-N 0 0 384.505 4.148 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CCC(c4ccsc4)CC3)CC2)cc1 ZINC000188836241 823315594 /nfs/dbraw/zinc/31/55/94/823315594.db2.gz NRPYYFVCWCWVIC-UHFFFAOYSA-N 0 0 399.560 4.315 20 10 GICDRN COc1ccc(N(CC(=O)Nc2cccc(C#N)c2)Cc2cccs2)cc1 ZINC000057644402 823317794 /nfs/dbraw/zinc/31/77/94/823317794.db2.gz OGMMWRLYBTYCEZ-UHFFFAOYSA-N 0 0 377.469 4.274 20 10 GICDRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000015134801 818294052 /nfs/dbraw/zinc/29/40/52/818294052.db2.gz NQMUHHCDRNCYCP-UHFFFAOYSA-N 0 0 379.529 4.352 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1Cl ZINC000015360379 818317301 /nfs/dbraw/zinc/31/73/01/818317301.db2.gz ZUSYINBUAZHJGP-UHFFFAOYSA-N 0 0 378.925 4.151 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)nc3C)CC2)cc1 ZINC000057782647 823331992 /nfs/dbraw/zinc/33/19/92/823331992.db2.gz FLYXBQDWKUUOLF-UHFFFAOYSA-N 0 0 387.483 4.028 20 10 GICDRN CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571608 818340452 /nfs/dbraw/zinc/34/04/52/818340452.db2.gz PAYPAWZXPOMAIN-UHFFFAOYSA-N 0 0 380.467 4.498 20 10 GICDRN Cc1nc(COc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000015832858 818374907 /nfs/dbraw/zinc/37/49/07/818374907.db2.gz ZDDHYESRTRYLCW-UHFFFAOYSA-N 0 0 381.501 4.027 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000176970200 823338434 /nfs/dbraw/zinc/33/84/34/823338434.db2.gz BBDCCYFGEKPHNG-SFHVURJKSA-N 0 0 381.303 4.142 20 10 GICDRN Cc1ccc(Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)cc1 ZINC000122350246 823342194 /nfs/dbraw/zinc/34/21/94/823342194.db2.gz DFFXRTUWICFPQS-UHFFFAOYSA-N 0 0 390.439 4.090 20 10 GICDRN CCC(CC)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000176984974 823342720 /nfs/dbraw/zinc/34/27/20/823342720.db2.gz BDUILPCZICXJFY-UHFFFAOYSA-N 0 0 398.522 4.161 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000018215141 818557189 /nfs/dbraw/zinc/55/71/89/818557189.db2.gz DHVMDTIULBZUKN-UHFFFAOYSA-N 0 0 382.467 4.293 20 10 GICDRN Cc1cc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)nc2ccccc12 ZINC000018488591 818570369 /nfs/dbraw/zinc/57/03/69/818570369.db2.gz NBKNLLCJZAEYJH-UHFFFAOYSA-N 0 0 379.529 4.360 20 10 GICDRN COc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1Br ZINC000020496819 818623969 /nfs/dbraw/zinc/62/39/69/818623969.db2.gz NEDMOEFDYVGMGL-UHFFFAOYSA-N 0 0 375.266 4.310 20 10 GICDRN Oc1ccc(Br)cc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000122533114 823368249 /nfs/dbraw/zinc/36/82/49/823368249.db2.gz NOZSLNFSKCGCMN-HNNXBMFYSA-N 0 0 394.656 4.070 20 10 GICDRN CCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(C)cc1 ZINC000023109468 818898380 /nfs/dbraw/zinc/89/83/80/818898380.db2.gz VZZNKXSIMBSMBP-UHFFFAOYSA-N 0 0 376.504 4.081 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000122557911 823372276 /nfs/dbraw/zinc/37/22/76/823372276.db2.gz AWKBXLAYNRBBOP-UHFFFAOYSA-N 0 0 392.386 4.018 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nc2ccccc2o1 ZINC000024207926 819033976 /nfs/dbraw/zinc/03/39/76/819033976.db2.gz RALNKTHVXHVHGE-UHFFFAOYSA-N 0 0 377.488 4.409 20 10 GICDRN CS(=O)(=O)Nc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000122737278 823403126 /nfs/dbraw/zinc/40/31/26/823403126.db2.gz GODUCRAOMXAGQV-UHFFFAOYSA-N 0 0 393.940 4.314 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)Oc3cccc(F)c3)ccc21 ZINC000460485319 823404843 /nfs/dbraw/zinc/40/48/43/823404843.db2.gz DMHZNMMXDSNTBG-HNNXBMFYSA-N 0 0 398.478 4.241 20 10 GICDRN Cc1cccc2c1N(C(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1)CC2 ZINC000189445812 823418496 /nfs/dbraw/zinc/41/84/96/823418496.db2.gz VGETVAMZTFJKNH-GOSISDBHSA-N 0 0 399.494 4.261 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)cc1 ZINC000177292251 823423543 /nfs/dbraw/zinc/42/35/43/823423543.db2.gz UDHRQXKFGHKYMA-UHFFFAOYSA-N 0 0 393.487 4.005 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177292842 823423603 /nfs/dbraw/zinc/42/36/03/823423603.db2.gz SEBINFFADLIXFQ-IBGZPJMESA-N 0 0 394.471 4.124 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000027442831 820244930 /nfs/dbraw/zinc/24/49/30/820244930.db2.gz QTJONWAOKCOWNW-UHFFFAOYSA-N 0 0 386.810 4.321 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cc(OC)cc(OC)c3C)ccc21 ZINC000410394507 823485303 /nfs/dbraw/zinc/48/53/03/823485303.db2.gz YTLPOPBNSKLBKA-UHFFFAOYSA-N 0 0 396.487 4.482 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000031726368 820852550 /nfs/dbraw/zinc/85/25/50/820852550.db2.gz HQIJNFRRKVUGCW-ZDUSSCGKSA-N 0 0 376.298 4.076 20 10 GICDRN CC(=O)Nc1cc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1F ZINC000060157382 823510251 /nfs/dbraw/zinc/51/02/51/823510251.db2.gz CSASYTUGTJYZBY-UHFFFAOYSA-N 0 0 397.494 4.483 20 10 GICDRN Cc1cc(C(=O)N2CCCC[C@H]2CC(N)=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000060291980 823514393 /nfs/dbraw/zinc/51/43/93/823514393.db2.gz COHNYZZODKACQT-FQEVSTJZSA-N 0 0 381.520 4.088 20 10 GICDRN Cc1ccc(NCc2ccc(N(C)C)cc2)cc1NC(=O)CN1CCCCC1 ZINC000123538334 823519082 /nfs/dbraw/zinc/51/90/82/823519082.db2.gz WQJCZEVKZKTPIU-UHFFFAOYSA-N 0 0 380.536 4.098 20 10 GICDRN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1OC ZINC000035647607 821066305 /nfs/dbraw/zinc/06/63/05/821066305.db2.gz VMDVAGHHMUOOEW-WOJGMQOQSA-N 0 0 398.484 4.412 20 10 GICDRN O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(N2CCCC2)cc1 ZINC000041365114 821185145 /nfs/dbraw/zinc/18/51/45/821185145.db2.gz UBMQLPPXAONLHK-UHFFFAOYSA-N 0 0 375.472 4.191 20 10 GICDRN O=C(NCc1ccc(Br)s1)NCc1ccc(N2CCCC2)cc1 ZINC000041404976 821188893 /nfs/dbraw/zinc/18/88/93/821188893.db2.gz BSHAMXQKINCWRZ-UHFFFAOYSA-N 0 0 394.338 4.110 20 10 GICDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000041419508 821190097 /nfs/dbraw/zinc/19/00/97/821190097.db2.gz AOTBLBCBNMQZPW-UHFFFAOYSA-N 0 0 399.494 4.274 20 10 GICDRN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCSc1nccs1 ZINC000177851174 823536177 /nfs/dbraw/zinc/53/61/77/823536177.db2.gz RWIPWHOJJBTEPE-UHFFFAOYSA-N 0 0 394.522 4.154 20 10 GICDRN O=C(NCCCSc1nccs1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000177852375 823536400 /nfs/dbraw/zinc/53/64/00/823536400.db2.gz XGZIVSZTTONPFK-UHFFFAOYSA-N 0 0 390.509 4.014 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(CSc2ccccn2)c1 ZINC000180724503 821418844 /nfs/dbraw/zinc/41/88/44/821418844.db2.gz IJUAKRLVVCFLBO-CSKARUKUSA-N 0 0 378.453 4.437 20 10 GICDRN CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000043653449 821436621 /nfs/dbraw/zinc/43/66/21/821436621.db2.gz WDNVCUNQWFFXDX-UHFFFAOYSA-N 0 0 380.492 4.299 20 10 GICDRN CCNC(=O)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000043679742 821440680 /nfs/dbraw/zinc/44/06/80/821440680.db2.gz ODXAPQICQAWSQQ-UHFFFAOYSA-N 0 0 394.519 4.091 20 10 GICDRN CC(=O)c1sc(NC(=O)C=Cc2ccc(O)c(O)c2)nc1-c1ccccc1 ZINC000180893393 821519841 /nfs/dbraw/zinc/51/98/41/821519841.db2.gz FJYVPJDJHCQKMC-CSKARUKUSA-N 0 0 380.425 4.076 20 10 GICDRN COCCc1nc(C)c([C@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000180902078 821526099 /nfs/dbraw/zinc/52/60/99/821526099.db2.gz BPTSDLPLBKVEOM-INIZCTEOSA-N 0 0 399.516 4.361 20 10 GICDRN C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1O ZINC000181010098 821590993 /nfs/dbraw/zinc/59/09/93/821590993.db2.gz OFUFBVVOGXWBFI-ZDUSSCGKSA-N 0 0 376.298 4.001 20 10 GICDRN C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181314628 821752598 /nfs/dbraw/zinc/75/25/98/821752598.db2.gz APMKRVHLKVOGSA-HNNXBMFYSA-N 0 0 398.507 4.032 20 10 GICDRN O=C(NCCCSc1nccs1)Nc1ccc(F)cc1OCC(F)F ZINC000181413692 821812607 /nfs/dbraw/zinc/81/26/07/821812607.db2.gz NXJDZACVJAWMGI-UHFFFAOYSA-N 0 0 391.440 4.230 20 10 GICDRN COc1cc(O)c(CNc2ccc(OCc3cccc(C#N)c3)cc2)cc1OC ZINC000181429714 821822497 /nfs/dbraw/zinc/82/24/97/821822497.db2.gz JEMWLAUOJFOFLZ-UHFFFAOYSA-N 0 0 390.439 4.472 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)CC(C)(C)C ZINC000181578620 821886744 /nfs/dbraw/zinc/88/67/44/821886744.db2.gz QQYTWSKOQXTPKW-KRWDZBQOSA-N 0 0 382.504 4.034 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cn2ccccc2n1 ZINC000181579105 821887138 /nfs/dbraw/zinc/88/71/38/821887138.db2.gz NQNKOEIPBHJCRO-SFHVURJKSA-N 0 0 385.467 4.372 20 10 GICDRN Cc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCOC1=O ZINC000182287084 822188068 /nfs/dbraw/zinc/18/80/68/822188068.db2.gz RJCAUGWNVBECHS-MRXNPFEDSA-N 0 0 399.466 4.100 20 10 GICDRN COc1cccc(CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1O ZINC000182734160 822359430 /nfs/dbraw/zinc/35/94/30/822359430.db2.gz USVNBJBFSCVPCT-UHFFFAOYSA-N 0 0 388.427 4.061 20 10 GICDRN CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000045578516 822396894 /nfs/dbraw/zinc/39/68/94/822396894.db2.gz WXMGJLJFEDRXSC-QFIPXVFZSA-N 0 0 381.520 4.206 20 10 GICDRN Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c(O)c1O ZINC000182983972 822404835 /nfs/dbraw/zinc/40/48/35/822404835.db2.gz KNAKBMRGDIKXIK-UHFFFAOYSA-N 0 0 379.378 4.445 20 10 GICDRN Cc1nc(C2(NCc3ccc(OCc4ccccc4)cc3O)CCCC2)no1 ZINC000183147858 822431272 /nfs/dbraw/zinc/43/12/72/822431272.db2.gz CVAYIFWTDBCXQA-UHFFFAOYSA-N 0 0 379.460 4.222 20 10 GICDRN COc1ccc2oc(/C=C3\SC(=S)N(CCc4ccccn4)C3=O)cc2c1 ZINC000179144601 822443119 /nfs/dbraw/zinc/44/31/19/822443119.db2.gz VLAZUYJEHYYIJR-PDGQHHTCSA-N 0 0 396.493 4.280 20 10 GICDRN C[C@H](Nc1cnn(-c2ccccc2F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183291110 822453984 /nfs/dbraw/zinc/45/39/84/822453984.db2.gz DQZQHQCFGWSJCV-HNNXBMFYSA-N 0 0 384.430 4.160 20 10 GICDRN Fc1ccc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)nc1 ZINC000183374134 822465494 /nfs/dbraw/zinc/46/54/94/822465494.db2.gz PKNVDLVIDYIFMY-QHCPKHFHSA-N 0 0 395.453 4.076 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000183417166 822471367 /nfs/dbraw/zinc/47/13/67/822471367.db2.gz YFTNZDYRMKPYKA-CHWSQXEVSA-N 0 0 381.394 4.358 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000183445902 822476051 /nfs/dbraw/zinc/47/60/51/822476051.db2.gz YLLUTUZNBQINFA-OAHLLOKOSA-N 0 0 399.450 4.069 20 10 GICDRN CCCn1c(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2cc(OC)ccc21 ZINC000183446276 822476119 /nfs/dbraw/zinc/47/61/19/822476119.db2.gz QTOYFACYIAJHCV-CQSZACIVSA-N 0 0 396.487 4.141 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000183445881 822476156 /nfs/dbraw/zinc/47/61/56/822476156.db2.gz YLLUTUZNBQINFA-HNNXBMFYSA-N 0 0 399.450 4.069 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)Cc1nc2ccccc2c(=O)n1C ZINC000179643403 822518720 /nfs/dbraw/zinc/51/87/20/822518720.db2.gz RZVPRGCFGCVJLU-SFHVURJKSA-N 0 0 399.494 4.403 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(OCc2ccccc2)CC1 ZINC000046983990 822535013 /nfs/dbraw/zinc/53/50/13/822535013.db2.gz MEOZHOUYGGILPD-UHFFFAOYSA-N 0 0 393.531 4.178 20 10 GICDRN Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000047036333 822538694 /nfs/dbraw/zinc/53/86/94/822538694.db2.gz LJHMGWUQJONVTF-GOSISDBHSA-N 0 0 383.561 4.451 20 10 GICDRN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179739510 822539882 /nfs/dbraw/zinc/53/98/82/822539882.db2.gz ZCWATKIBFDXBIE-NSHDSACASA-N 0 0 375.296 4.046 20 10 GICDRN Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000047337058 822568242 /nfs/dbraw/zinc/56/82/42/822568242.db2.gz KREIMDUJYCGGTN-UHFFFAOYSA-N 0 0 385.483 4.416 20 10 GICDRN CN(C)c1ccc(CNC(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000180391993 822674874 /nfs/dbraw/zinc/67/48/74/822674874.db2.gz WIJFUBAVAOSBPE-UHFFFAOYSA-N 0 0 393.434 4.052 20 10 GICDRN COc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1O ZINC000184682885 822675881 /nfs/dbraw/zinc/67/58/81/822675881.db2.gz AKLAOEIFVJJVLE-KRWDZBQOSA-N 0 0 385.851 4.045 20 10 GICDRN CCC(CC)n1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1C ZINC000180412650 822677527 /nfs/dbraw/zinc/67/75/27/822677527.db2.gz HOMAENIGIOESOZ-UHFFFAOYSA-N 0 0 386.565 4.036 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccccc3CSC)CC2)cc1F ZINC000184744797 822685188 /nfs/dbraw/zinc/68/51/88/822685188.db2.gz JSNFFLUQMOAPLC-UHFFFAOYSA-N 0 0 389.496 4.051 20 10 GICDRN COc1cc(O)c(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575660 822705165 /nfs/dbraw/zinc/70/51/65/822705165.db2.gz OEYVYKYBODOORM-IBGZPJMESA-N 0 0 397.393 4.002 20 10 GICDRN Cc1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)c(C)n1-c1ccc(F)cc1 ZINC000185353445 822769976 /nfs/dbraw/zinc/76/99/76/822769976.db2.gz LDPDQPUOZVKQNJ-HXUWFJFHSA-N 0 0 380.419 4.301 20 10 GICDRN CCN(Cc1nc(-c2ccsc2)no1)Cc1cc(Br)ccc1O ZINC000174424932 822788220 /nfs/dbraw/zinc/78/82/20/822788220.db2.gz WODRAAMCPIZMGD-UHFFFAOYSA-N 0 0 394.294 4.288 20 10 GICDRN C[C@H]([NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185593599 822800179 /nfs/dbraw/zinc/80/01/79/822800179.db2.gz DBIIBMUDDOEQMH-OYHNWAKOSA-N 0 0 399.487 4.375 20 10 GICDRN Cc1ccc(-c2nc(CC(=O)NCc3c(O)ccc4c3CCCC4)cs2)o1 ZINC000174521238 822800353 /nfs/dbraw/zinc/80/03/53/822800353.db2.gz QGSXAGJIVWVADW-UHFFFAOYSA-N 0 0 382.485 4.155 20 10 GICDRN COc1ccc(N2CCC(NC(=O)C3(Cc4cccc(F)c4)CCC3)CC2)cc1 ZINC000185758649 822818286 /nfs/dbraw/zinc/81/82/86/822818286.db2.gz BHUMRLPFIMCULF-UHFFFAOYSA-N 0 0 396.506 4.332 20 10 GICDRN CCOCc1cc(CN[C@@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656020 822818973 /nfs/dbraw/zinc/81/89/73/822818973.db2.gz PNTZDXBKNLQSCI-HNNXBMFYSA-N 0 0 397.475 4.141 20 10 GICDRN N#Cc1ccc(Cc2cnc(NCc3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000185933236 822835019 /nfs/dbraw/zinc/83/50/19/822835019.db2.gz GQEOGJBETHLAAD-UHFFFAOYSA-N 0 0 390.512 4.054 20 10 GICDRN CN(C(=O)CSc1ncc(-c2ccccc2)n1C)c1nc2ccccc2s1 ZINC000053571200 822841182 /nfs/dbraw/zinc/84/11/82/822841182.db2.gz BWXQHNJCBVSEFG-UHFFFAOYSA-N 0 0 394.525 4.452 20 10 GICDRN CN(C)c1ccc(/C=C2/SC(=S)N([C@@H]3CCOc4ccccc43)C2=O)cc1 ZINC000174914019 822855061 /nfs/dbraw/zinc/85/50/61/822855061.db2.gz TVGZYGFXKISDAL-HNMKQIAWSA-N 0 0 396.537 4.478 20 10 GICDRN Cc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1Cl ZINC000174928272 822857169 /nfs/dbraw/zinc/85/71/69/822857169.db2.gz FTUKMINYWALHET-UHFFFAOYSA-N 0 0 387.911 4.179 20 10 GICDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186191175 822859509 /nfs/dbraw/zinc/85/95/09/822859509.db2.gz XBAOQWBFHIYBGK-ZFWWWQNUSA-N 0 0 393.314 4.398 20 10 GICDRN C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cc2c(cc1O)CCCC2 ZINC000186332564 822877403 /nfs/dbraw/zinc/87/74/03/822877403.db2.gz QHQLUDRVJPGDMS-INIZCTEOSA-N 0 0 391.515 4.277 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000186410537 822889998 /nfs/dbraw/zinc/88/99/98/822889998.db2.gz YBSHRAFENSRAIO-AWEZNQCLSA-N 0 0 383.419 4.177 20 10 GICDRN CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000186423355 822892263 /nfs/dbraw/zinc/89/22/63/822892263.db2.gz WXIHYZWPZWZOBE-AWEZNQCLSA-N 0 0 378.494 4.034 20 10 GICDRN Cc1noc(C)c1C[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175154326 822893436 /nfs/dbraw/zinc/89/34/36/822893436.db2.gz IQQPGXFAMPWRMO-OAHLLOKOSA-N 0 0 385.508 4.473 20 10 GICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000186453635 822898101 /nfs/dbraw/zinc/89/81/01/822898101.db2.gz OZRIZGXWUNJWPN-ZDUSSCGKSA-N 0 0 381.432 4.413 20 10 GICDRN Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)CO1 ZINC000175225839 822908908 /nfs/dbraw/zinc/90/89/08/822908908.db2.gz CYFZZZLYWQPBKN-CVDCTZTESA-N 0 0 391.515 4.043 20 10 GICDRN C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000186665509 822932620 /nfs/dbraw/zinc/93/26/20/822932620.db2.gz VWFJFOQJNOJRQQ-QGZVFWFLSA-N 0 0 399.560 4.172 20 10 GICDRN O=C(CSc1nccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000055095734 822937562 /nfs/dbraw/zinc/93/75/62/822937562.db2.gz UAPWYQIZSPSJSW-UHFFFAOYSA-N 0 0 387.461 4.265 20 10 GICDRN Cc1cc(C(=O)N2CCSC3(CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC000186877675 822973106 /nfs/dbraw/zinc/97/31/06/822973106.db2.gz MGFCJKRQEBIIRW-UHFFFAOYSA-N 0 0 384.545 4.141 20 10 GICDRN COc1cccc([C@H](C)CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000175544217 822994368 /nfs/dbraw/zinc/99/43/68/822994368.db2.gz XSQCMDNLPWLIKZ-UTKZUKDTSA-N 0 0 383.488 4.102 20 10 GICDRN CCc1cc(C2CC2)nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000570004581 822995582 /nfs/dbraw/zinc/99/55/82/822995582.db2.gz FEZMVZHECPRCNO-UHFFFAOYSA-N 0 0 392.503 4.387 20 10 GICDRN Cc1cnc([C@H](C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000187084750 823008377 /nfs/dbraw/zinc/00/83/77/823008377.db2.gz GBZRHSBOBKZJHI-CQSZACIVSA-N 0 0 385.489 4.266 20 10 GICDRN CCCN(Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccccc1O ZINC000175626626 823009255 /nfs/dbraw/zinc/00/92/55/823009255.db2.gz YIVBLPHLQDUTPX-UHFFFAOYSA-N 0 0 395.528 4.191 20 10 GICDRN CCO[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C12CCC2 ZINC000175665565 823015809 /nfs/dbraw/zinc/01/58/09/823015809.db2.gz NJYOVKRKUGKGSH-PMACEKPBSA-N 0 0 384.476 4.045 20 10 GICDRN COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(C)o1 ZINC000175667318 823016326 /nfs/dbraw/zinc/01/63/26/823016326.db2.gz WVANYHSVFBHQCD-HXUWFJFHSA-N 0 0 385.508 4.107 20 10 GICDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175714787 823025915 /nfs/dbraw/zinc/02/59/15/823025915.db2.gz YRPVDASAGCVQOL-AWEZNQCLSA-N 0 0 378.925 4.253 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCC(c4ccncc4)CC3)cc2)CC1 ZINC000190388376 823568448 /nfs/dbraw/zinc/56/84/48/823568448.db2.gz KCIRTSCORCIHAV-UHFFFAOYSA-N 0 0 392.547 4.407 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3nnc(CC(C)C)s3)c2C)cc1 ZINC000061046891 823575119 /nfs/dbraw/zinc/57/51/19/823575119.db2.gz WBPQVGJUYBEHMX-UHFFFAOYSA-N 0 0 384.505 4.405 20 10 GICDRN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190548460 823585235 /nfs/dbraw/zinc/58/52/35/823585235.db2.gz HOIGRNKBIHPJER-DEOSSOPVSA-N 0 0 395.547 4.160 20 10 GICDRN CC(C)(C)n1ccnc1SCC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124350124 823589253 /nfs/dbraw/zinc/58/92/53/823589253.db2.gz UWBCKGBUNFSXLK-UHFFFAOYSA-N 0 0 399.516 4.258 20 10 GICDRN COc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000061369233 823593740 /nfs/dbraw/zinc/59/37/40/823593740.db2.gz GZHMEHONSNSZCR-UHFFFAOYSA-N 0 0 394.515 4.307 20 10 GICDRN C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000124504322 823602188 /nfs/dbraw/zinc/60/21/88/823602188.db2.gz BZIGRRPAOJQGAN-CVEARBPZSA-N 0 0 396.466 4.124 20 10 GICDRN [O-]c1c(Br)cccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000124603079 823610501 /nfs/dbraw/zinc/61/05/01/823610501.db2.gz JGIJWGNWNXLCMD-GOSISDBHSA-N 0 0 376.294 4.100 20 10 GICDRN O=C(Nc1ccc(-n2cccn2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000124816247 823628419 /nfs/dbraw/zinc/62/84/19/823628419.db2.gz MPOXVQXPOXJRSJ-UHFFFAOYSA-N 0 0 388.427 4.405 20 10 GICDRN O=C(N[C@H]1CCOc2c(F)cccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000191005927 823637573 /nfs/dbraw/zinc/63/75/73/823637573.db2.gz LZFAFQXBYPFRIN-IBGZPJMESA-N 0 0 396.418 4.360 20 10 GICDRN O=C(Nc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000125108269 823652152 /nfs/dbraw/zinc/65/21/52/823652152.db2.gz POSUSSZZKOXXQT-OAHLLOKOSA-N 0 0 378.831 4.398 20 10 GICDRN CC(=O)Nc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C ZINC000125285470 823665097 /nfs/dbraw/zinc/66/50/97/823665097.db2.gz MHZDIDWFKMIQMK-UHFFFAOYSA-N 0 0 378.428 4.095 20 10 GICDRN CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000125458411 823677736 /nfs/dbraw/zinc/67/77/36/823677736.db2.gz LTMPNJUMPKANDZ-MOPGFXCFSA-N 0 0 393.622 4.055 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(OC(F)F)c1 ZINC000125485890 823680027 /nfs/dbraw/zinc/68/00/27/823680027.db2.gz VYSVBIFURVBPHJ-HNNXBMFYSA-N 0 0 387.430 4.225 20 10 GICDRN CC(C)Oc1ccc(N(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000191579885 823703740 /nfs/dbraw/zinc/70/37/40/823703740.db2.gz JNCKBRHQROTJCR-NRFANRHFSA-N 0 0 395.528 4.272 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000125759543 823705126 /nfs/dbraw/zinc/70/51/26/823705126.db2.gz RPKRSCLAQLTGRV-UHFFFAOYSA-N 0 0 394.393 4.097 20 10 GICDRN CCN(CC)c1ccc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)cc1F ZINC000191599212 823708537 /nfs/dbraw/zinc/70/85/37/823708537.db2.gz CKOAEKAQYWOFNJ-INIZCTEOSA-N 0 0 382.483 4.497 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](OC(C)(C)C)c1ccccc1 ZINC000125806064 823715820 /nfs/dbraw/zinc/71/58/20/823715820.db2.gz ZRNIIVOQYFGVQO-JOCHJYFZSA-N 0 0 396.531 4.038 20 10 GICDRN CCc1c(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1C ZINC000191633109 823720225 /nfs/dbraw/zinc/72/02/25/823720225.db2.gz CSJRUSRLBMPNBK-HNNXBMFYSA-N 0 0 394.475 4.340 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1COc2ccccc21 ZINC000163550671 823720428 /nfs/dbraw/zinc/72/04/28/823720428.db2.gz YVWDCMAECFXMKM-XMSQKQJNSA-N 0 0 393.531 4.383 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000163550314 823720500 /nfs/dbraw/zinc/72/05/00/823720500.db2.gz YVWDCMAECFXMKM-AVRDEDQJSA-N 0 0 393.531 4.383 20 10 GICDRN CCN(CC)c1ccc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000191647251 823722911 /nfs/dbraw/zinc/72/29/11/823722911.db2.gz QNTGXAPCOMTZCC-UHFFFAOYSA-N 0 0 375.520 4.273 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@H]2c2nncn2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000125898888 823739607 /nfs/dbraw/zinc/73/96/07/823739607.db2.gz ZESUMKOFOQQWOE-NRFANRHFSA-N 0 0 391.519 4.323 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)c2cc3c(cc2F)NC(=O)CC3)s1 ZINC000164020257 823770699 /nfs/dbraw/zinc/77/06/99/823770699.db2.gz SGVDWWXWCQAJPK-UHFFFAOYSA-N 0 0 378.494 4.439 20 10 GICDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(Cl)cc(OC)c2O)n1 ZINC000191829646 823788163 /nfs/dbraw/zinc/78/81/63/823788163.db2.gz MRPMLICTQDROTD-CQSZACIVSA-N 0 0 396.896 4.025 20 10 GICDRN C[C@H]1CN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCS(=O)(=O)C1 ZINC000192071146 823850609 /nfs/dbraw/zinc/85/06/09/823850609.db2.gz PTXJLRCJGBBVCT-SKAIHHOBSA-N 0 0 386.477 4.000 20 10 GICDRN CNC(=O)c1cc(NC(=O)c2sccc2-n2c(C)ccc2C)ccc1Cl ZINC000064838555 823897445 /nfs/dbraw/zinc/89/74/45/823897445.db2.gz LBXOUCQIKYLOPI-UHFFFAOYSA-N 0 0 387.892 4.421 20 10 GICDRN CN(C)c1ccc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1F ZINC000126824156 823960020 /nfs/dbraw/zinc/96/00/20/823960020.db2.gz HPRGRBWJMABKNO-UHFFFAOYSA-N 0 0 394.412 4.404 20 10 GICDRN Cc1ccc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc2n1 ZINC000127052061 824007886 /nfs/dbraw/zinc/00/78/86/824007886.db2.gz KHWBTCZNBNDWMZ-FQEVSTJZSA-N 0 0 376.456 4.070 20 10 GICDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192649115 824055573 /nfs/dbraw/zinc/05/55/73/824055573.db2.gz APZVERHHSYELMN-NSHDSACASA-N 0 0 383.275 4.247 20 10 GICDRN CC(=O)Nc1ccc(C)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000187347866 823047242 /nfs/dbraw/zinc/04/72/42/823047242.db2.gz BEEIAPFNCBUXPH-UHFFFAOYSA-N 0 0 379.504 4.216 20 10 GICDRN Cn1cnc(-c2cccc(NCc3ccc(OCc4ccccc4)cc3O)c2)n1 ZINC000187373085 823051567 /nfs/dbraw/zinc/05/15/67/823051567.db2.gz MYFOLSRXVLRFID-UHFFFAOYSA-N 0 0 386.455 4.379 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(F)ccc1F ZINC000175841578 823052556 /nfs/dbraw/zinc/05/25/56/823052556.db2.gz NYRXOAPSRGZGTQ-UHFFFAOYSA-N 0 0 384.220 4.024 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(C2CC2)n1 ZINC000175849236 823055013 /nfs/dbraw/zinc/05/50/13/823055013.db2.gz CXRBTVWEDUBJGO-UHFFFAOYSA-N 0 0 381.295 4.151 20 10 GICDRN O=C(NCCc1cc2ccccc2o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120752753 823057369 /nfs/dbraw/zinc/05/73/69/823057369.db2.gz MXFQBJPWJADMCT-FQEVSTJZSA-N 0 0 394.471 4.072 20 10 GICDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000120761795 823058859 /nfs/dbraw/zinc/05/88/59/823058859.db2.gz ISMQCNNMXRWPFJ-FMIVXFBMSA-N 0 0 378.384 4.136 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000175868347 823059581 /nfs/dbraw/zinc/05/95/81/823059581.db2.gz CCNNRARNJQOJAO-UHFFFAOYSA-N 0 0 396.466 4.288 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)cn1 ZINC000175885546 823063555 /nfs/dbraw/zinc/06/35/55/823063555.db2.gz DJCUFWGYSMESBQ-UHFFFAOYSA-N 0 0 384.661 4.257 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)cc1F ZINC000120807279 823068182 /nfs/dbraw/zinc/06/81/82/823068182.db2.gz ZFBBSEIRINEWFD-UHFFFAOYSA-N 0 0 377.847 4.150 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C)c2Br)c1 ZINC000120855106 823077329 /nfs/dbraw/zinc/07/73/29/823077329.db2.gz WDELXZZSRXNGKO-LLVKDONJSA-N 0 0 379.254 4.354 20 10 GICDRN COc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)sc2C)cc1 ZINC000121181702 823133493 /nfs/dbraw/zinc/13/34/93/823133493.db2.gz WNWSFLAFVOENFL-UHFFFAOYSA-N 0 0 383.469 4.116 20 10 GICDRN CC(=O)N(c1nc(CN(C)c2ccc3c(c2)OCO3)cs1)c1ccc(F)cc1 ZINC000121258231 823149577 /nfs/dbraw/zinc/14/95/77/823149577.db2.gz AOVOHIIEMUNOQD-UHFFFAOYSA-N 0 0 399.447 4.332 20 10 GICDRN CCOc1cc(Cl)ccc1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000121267549 823151688 /nfs/dbraw/zinc/15/16/88/823151688.db2.gz HVEAJVVGTIARRI-LBPRGKRZSA-N 0 0 378.856 4.013 20 10 GICDRN CC(C)c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C(C)C)c1 ZINC000187892336 823153549 /nfs/dbraw/zinc/15/35/49/823153549.db2.gz SWQABEFTIOBAQK-HNNXBMFYSA-N 0 0 398.503 4.031 20 10 GICDRN Cc1cc(C(=O)NCc2ccc([S@](C)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000176436504 823207419 /nfs/dbraw/zinc/20/74/19/823207419.db2.gz OCOBYLFMTVWFOX-MHZLTWQESA-N 0 0 380.513 4.070 20 10 GICDRN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)Cc1ccccc1O ZINC000056836219 823220637 /nfs/dbraw/zinc/22/06/37/823220637.db2.gz CWKHRVHYIGBFHN-ZDUSSCGKSA-N 0 0 382.382 4.020 20 10 GICDRN COc1ccc(N(C)Cc2csc(CC(=O)Nc3ccccc3)n2)cc1F ZINC000121710669 823234999 /nfs/dbraw/zinc/23/49/99/823234999.db2.gz LWJMESDOUYQHPD-UHFFFAOYSA-N 0 0 385.464 4.108 20 10 GICDRN CC(=O)N1CCN(c2cccc(N[C@@H](C)c3ccc4ccccc4c3O)c2)CC1 ZINC000188548968 823260526 /nfs/dbraw/zinc/26/05/26/823260526.db2.gz UXRIEZAIENJEPC-KRWDZBQOSA-N 0 0 389.499 4.387 20 10 GICDRN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000006365854 817683556 /nfs/dbraw/zinc/68/35/56/817683556.db2.gz SNDOAVMBHOPOED-UHFFFAOYSA-N 0 0 381.288 4.494 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3F)SC2=S)cc1 ZINC000007209123 817794572 /nfs/dbraw/zinc/79/45/72/817794572.db2.gz RARUBEAESIAFTG-CXUHLZMHSA-N 0 0 376.453 4.437 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000007215449 817795057 /nfs/dbraw/zinc/79/50/57/817795057.db2.gz ZUORXDJCAGXTMK-UHFFFAOYSA-N 0 0 397.544 4.068 20 10 GICDRN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885015 817951108 /nfs/dbraw/zinc/95/11/08/817951108.db2.gz MWIQZPBQHUEDAA-QFIPXVFZSA-N 0 0 387.439 4.252 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-n2cnc3ccccc32)cc1 ZINC000008117849 818003070 /nfs/dbraw/zinc/00/30/70/818003070.db2.gz ICGOWESPDOPSJX-ZHZULCJRSA-N 0 0 388.496 4.482 20 10 GICDRN CCCCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011642829 818103321 /nfs/dbraw/zinc/10/33/21/818103321.db2.gz SCVDOUGPLSPPPK-SFHVURJKSA-N 0 0 387.549 4.128 20 10 GICDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cccc(OC)c1O ZINC000122153605 823313781 /nfs/dbraw/zinc/31/37/81/823313781.db2.gz KBEWYZWQUVSZJZ-UHFFFAOYSA-N 0 0 383.275 4.168 20 10 GICDRN CC(=O)c1ccc(N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c(F)c1 ZINC000015285391 818305945 /nfs/dbraw/zinc/30/59/45/818305945.db2.gz PPQYHFZTLJTRGS-UHFFFAOYSA-N 0 0 384.495 4.488 20 10 GICDRN C[C@H](C(=O)NCCCSc1nccs1)c1ccc(Br)cc1 ZINC000122294955 823333701 /nfs/dbraw/zinc/33/37/01/823333701.db2.gz NONCFPZAWGZCRH-NSHDSACASA-N 0 0 385.352 4.308 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)CCCc2ccccc2Br)c1 ZINC000122294498 823333744 /nfs/dbraw/zinc/33/37/44/823333744.db2.gz AGJQGINTOAIKNZ-ZDUSSCGKSA-N 0 0 392.293 4.363 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000016134876 818396594 /nfs/dbraw/zinc/39/65/94/818396594.db2.gz YJJQLYSUGXFADE-UHFFFAOYSA-N 0 0 394.446 4.195 20 10 GICDRN COCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)o1 ZINC000016197599 818405499 /nfs/dbraw/zinc/40/54/99/818405499.db2.gz KOQGOZIUUIRJJM-UHFFFAOYSA-N 0 0 381.428 4.182 20 10 GICDRN O=C1/C(=C/c2ccccc2OC(F)(F)F)SC(=S)N1c1cccnc1 ZINC000017699357 818524094 /nfs/dbraw/zinc/52/40/94/818524094.db2.gz NIKSOEYUOAXIDG-JYRVWZFOSA-N 0 0 382.388 4.386 20 10 GICDRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000018150533 818551080 /nfs/dbraw/zinc/55/10/80/818551080.db2.gz INCXERLJZLZPRD-UHFFFAOYSA-N 0 0 391.519 4.228 20 10 GICDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC000018214928 818557312 /nfs/dbraw/zinc/55/73/12/818557312.db2.gz FIGNNQPUMJZSLC-UHFFFAOYSA-N 0 0 396.922 4.198 20 10 GICDRN Cc1cc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2[nH]1 ZINC000122467845 823358786 /nfs/dbraw/zinc/35/87/86/823358786.db2.gz UCZLUWOKNGYVGE-UHFFFAOYSA-N 0 0 380.517 4.351 20 10 GICDRN COC(=O)c1occc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000023237633 818915977 /nfs/dbraw/zinc/91/59/77/818915977.db2.gz MKVVAEBWKHZFPX-QGZVFWFLSA-N 0 0 398.484 4.401 20 10 GICDRN COCCN(Cc1nc2ccccc2n1C(F)F)c1ccc(OC)c(OC)c1 ZINC000177130410 823378385 /nfs/dbraw/zinc/37/83/85/823378385.db2.gz NGRHEVDFVIQDJB-UHFFFAOYSA-N 0 0 391.418 4.102 20 10 GICDRN O=C(NCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C1CCCC1 ZINC000122569147 823374295 /nfs/dbraw/zinc/37/42/95/823374295.db2.gz YYDQTDJUNREZHN-LJQANCHMSA-N 0 0 399.560 4.128 20 10 GICDRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000023744344 818978763 /nfs/dbraw/zinc/97/87/63/818978763.db2.gz MOQFPUYAIJRVRT-UHFFFAOYSA-N 0 0 382.895 4.172 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(SCc2ccccc2)cc1 ZINC000122608046 823380461 /nfs/dbraw/zinc/38/04/61/823380461.db2.gz CBJQHLAUZOOETJ-UHFFFAOYSA-N 0 0 379.481 4.363 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 ZINC000177182298 823393524 /nfs/dbraw/zinc/39/35/24/823393524.db2.gz IVKRDCZQQPSDRX-UHFFFAOYSA-N 0 0 392.459 4.068 20 10 GICDRN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCCc1ccc(O)c(O)c1 ZINC000122672972 823391660 /nfs/dbraw/zinc/39/16/60/823391660.db2.gz QYOVGZMQQMDLTC-UVTDQMKNSA-N 0 0 385.769 4.056 20 10 GICDRN O[C@H](CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)CC(F)(F)F ZINC000189341801 823397590 /nfs/dbraw/zinc/39/75/90/823397590.db2.gz GZOUQEDHFRZYCQ-LSDHHAIUSA-N 0 0 386.439 4.135 20 10 GICDRN Cc1cc(C(=O)Nc2cnn(C)c2C)c(C)n1-c1ccc(Br)cc1 ZINC000177212451 823400630 /nfs/dbraw/zinc/40/06/30/823400630.db2.gz MTSDDENKLAYMSX-UHFFFAOYSA-N 0 0 387.281 4.151 20 10 GICDRN O=C1/C(=C\c2ccc(F)nc2)SC(=S)N1CCSc1ccccc1 ZINC000189420078 823412203 /nfs/dbraw/zinc/41/22/03/823412203.db2.gz MIICMLDRUPJZKV-GXDHUFHOSA-N 0 0 376.503 4.214 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000189445684 823418427 /nfs/dbraw/zinc/41/84/27/823418427.db2.gz IMAJXKKZGCZQKE-KRWDZBQOSA-N 0 0 399.494 4.490 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2[nH]ccc2c1)c1ccc(N)cc1 ZINC000189446525 823418487 /nfs/dbraw/zinc/41/84/87/823418487.db2.gz DAEOWUZIJVEQSP-MRXNPFEDSA-N 0 0 398.466 4.483 20 10 GICDRN COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cc1 ZINC000189449359 823419428 /nfs/dbraw/zinc/41/94/28/823419428.db2.gz GIGCYXOTZIDWLQ-INIZCTEOSA-N 0 0 389.455 4.010 20 10 GICDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000573029919 823436953 /nfs/dbraw/zinc/43/69/53/823436953.db2.gz PRFAMZKIFHLBGK-UHFFFAOYSA-N 0 0 396.494 4.375 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1-c1cccc(C)c1 ZINC000025542011 820000635 /nfs/dbraw/zinc/00/06/35/820000635.db2.gz UFACLHHJCGBGFA-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN CCSc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000122998640 823446073 /nfs/dbraw/zinc/44/60/73/823446073.db2.gz UGFZJZRXQVNBIG-UHFFFAOYSA-N 0 0 390.936 4.219 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000026529484 820109857 /nfs/dbraw/zinc/10/98/57/820109857.db2.gz MXAPZIFYXIWZDH-NRFANRHFSA-N 0 0 377.513 4.447 20 10 GICDRN COc1cccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1OC ZINC000027157205 820202512 /nfs/dbraw/zinc/20/25/12/820202512.db2.gz VIWPTHZAPCRZAI-UHFFFAOYSA-N 0 0 396.531 4.285 20 10 GICDRN CCCn1c(C)c(C(=O)NCc2ccc(N(C)C)cc2)c2cc(OC)ccc21 ZINC000028669620 820348253 /nfs/dbraw/zinc/34/82/53/820348253.db2.gz PLHLXVCQMVRKCF-UHFFFAOYSA-N 0 0 379.504 4.364 20 10 GICDRN COc1ccc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC ZINC000029261824 820422647 /nfs/dbraw/zinc/42/26/47/820422647.db2.gz SVFUMARLLAHSBH-UHFFFAOYSA-N 0 0 378.472 4.384 20 10 GICDRN C[C@@H](C1CC1)n1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000189698872 823478736 /nfs/dbraw/zinc/47/87/36/823478736.db2.gz STBBQTANVUYENE-HNNXBMFYSA-N 0 0 380.448 4.387 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000030825704 820688371 /nfs/dbraw/zinc/68/83/71/820688371.db2.gz KUWFCTBCNJCBAV-UHFFFAOYSA-N 0 0 394.475 4.438 20 10 GICDRN CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(F)c(F)c3)SC2=S)c1 ZINC000031435854 820811097 /nfs/dbraw/zinc/81/10/97/820811097.db2.gz VIEGTWQFJKLZIH-LZYBPNLTSA-N 0 0 390.436 4.329 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000177666491 823510742 /nfs/dbraw/zinc/51/07/42/823510742.db2.gz QMUDBYCGHORFRU-MUUNZHRXSA-N 0 0 398.503 4.243 20 10 GICDRN CCSc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000177739536 823518792 /nfs/dbraw/zinc/51/87/92/823518792.db2.gz YDBFDAUQMCFMMA-UHFFFAOYSA-N 0 0 389.496 4.300 20 10 GICDRN O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1CCc1ccccc1 ZINC000033315740 821055244 /nfs/dbraw/zinc/05/52/44/821055244.db2.gz ZNARFIOUWNTDPY-LFIBNONCSA-N 0 0 375.902 4.490 20 10 GICDRN Cc1cscc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000123615507 823526153 /nfs/dbraw/zinc/52/61/53/823526153.db2.gz YZXKLQKCTVBLNM-CYBMUJFWSA-N 0 0 381.448 4.448 20 10 GICDRN CCCC(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000041133965 821172171 /nfs/dbraw/zinc/17/21/71/821172171.db2.gz SMYUKEIRZHHZON-UHFFFAOYSA-N 0 0 394.519 4.025 20 10 GICDRN Cn1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c(C(F)F)n1 ZINC000460880112 823535077 /nfs/dbraw/zinc/53/50/77/823535077.db2.gz ZDPCZZRRLJNNIQ-RMKNXTFCSA-N 0 0 396.319 4.031 20 10 GICDRN COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC ZINC000043267722 821383344 /nfs/dbraw/zinc/38/33/44/821383344.db2.gz YREGNMZLFMTYJN-UHFFFAOYSA-N 0 0 383.492 4.358 20 10 GICDRN O=C1/C(=C/c2cccc3cnccc23)SC(=S)N1CCc1cccnc1 ZINC000180924603 821540826 /nfs/dbraw/zinc/54/08/26/821540826.db2.gz WDPGVOCPBCBYRC-WQRHYEAKSA-N 0 0 377.494 4.074 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1COCc1ccccc1 ZINC000180928526 821543215 /nfs/dbraw/zinc/54/32/15/821543215.db2.gz PRGUVUNJRIOMOY-ACCUITESSA-N 0 0 389.451 4.144 20 10 GICDRN COc1ccc(O)c(CNc2cccc(C[S@@](=O)Cc3ccccc3)c2)c1 ZINC000181060212 821614096 /nfs/dbraw/zinc/61/40/96/821614096.db2.gz VFHLQJJVCZZFPG-MHZLTWQESA-N 0 0 381.497 4.462 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000181121024 821646361 /nfs/dbraw/zinc/64/63/61/821646361.db2.gz WGHOYTQYFNZWOO-SECBINFHSA-N 0 0 376.363 4.097 20 10 GICDRN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181125501 821648285 /nfs/dbraw/zinc/64/82/85/821648285.db2.gz SUBHRRDRRIKNDK-MRXNPFEDSA-N 0 0 381.520 4.103 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181125735 821649020 /nfs/dbraw/zinc/64/90/20/821649020.db2.gz VKXCNUYOSAATBX-UHFFFAOYSA-N 0 0 383.402 4.198 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2C ZINC000181579209 821887208 /nfs/dbraw/zinc/88/72/08/821887208.db2.gz OFIGHRMPYHQEFD-MRXNPFEDSA-N 0 0 386.455 4.078 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCNC(=O)C(C)(C)C ZINC000181580122 821887568 /nfs/dbraw/zinc/88/75/68/821887568.db2.gz HDEYNNZNUFMSPG-KRWDZBQOSA-N 0 0 382.504 4.034 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCNC(=O)C(C)(C)C ZINC000181581331 821888192 /nfs/dbraw/zinc/88/81/92/821888192.db2.gz SDILYHHQZUNXCC-GOSISDBHSA-N 0 0 396.531 4.425 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(NC(N)=O)c1 ZINC000181584916 821890434 /nfs/dbraw/zinc/89/04/34/821890434.db2.gz TXRFENRDIQYLSN-MRXNPFEDSA-N 0 0 389.455 4.286 20 10 GICDRN C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182116087 822100656 /nfs/dbraw/zinc/10/06/56/822100656.db2.gz OQQUBJNMDWVDDR-QGZVFWFLSA-N 0 0 380.467 4.080 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2O[C@H]2CCOC2)cc1 ZINC000177975500 822265497 /nfs/dbraw/zinc/26/54/97/822265497.db2.gz KJOSCDHYPTZINA-IBGZPJMESA-N 0 0 383.492 4.022 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 ZINC000182846272 822377616 /nfs/dbraw/zinc/37/76/16/822377616.db2.gz RRFYXADATCHMRX-UHFFFAOYSA-N 0 0 398.488 4.363 20 10 GICDRN COCCCOc1ccccc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182939819 822396570 /nfs/dbraw/zinc/39/65/70/822396570.db2.gz NOOXYNGHFVASRN-KRWDZBQOSA-N 0 0 388.483 4.251 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000178729154 822405945 /nfs/dbraw/zinc/40/59/45/822405945.db2.gz ATGXLJDDEDJBFW-NFBKMPQASA-N 0 0 393.531 4.254 20 10 GICDRN C[C@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000183195809 822439620 /nfs/dbraw/zinc/43/96/20/822439620.db2.gz AKPXEKAHTUQWFJ-IRXDYDNUSA-N 0 0 377.492 4.322 20 10 GICDRN Cc1csc([C@@H](C)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000183385632 822466833 /nfs/dbraw/zinc/46/68/33/822466833.db2.gz XVIAGXMVVDKLOE-INIZCTEOSA-N 0 0 386.565 4.291 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(OCc2cccnc2)cc1 ZINC000046647536 822497886 /nfs/dbraw/zinc/49/78/86/822497886.db2.gz FASDPCNIFVNFLP-QGZVFWFLSA-N 0 0 391.471 4.269 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1N1CCCC1 ZINC000047036243 822538638 /nfs/dbraw/zinc/53/86/38/822538638.db2.gz HYTUZUNQNJHABR-UHFFFAOYSA-N 0 0 396.560 4.162 20 10 GICDRN CN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047040898 822539394 /nfs/dbraw/zinc/53/93/94/822539394.db2.gz UXWBKSCYGJDYHO-UHFFFAOYSA-N 0 0 395.981 4.296 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ncccc1C(F)(F)F ZINC000179784512 822552344 /nfs/dbraw/zinc/55/23/44/822552344.db2.gz GTJITJWSAQXMEX-UHFFFAOYSA-N 0 0 377.410 4.363 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)C1CCOCC1 ZINC000179838456 822563749 /nfs/dbraw/zinc/56/37/49/822563749.db2.gz MLHCXGDQRGBZQR-UHFFFAOYSA-N 0 0 384.423 4.200 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000047547361 822589437 /nfs/dbraw/zinc/58/94/37/822589437.db2.gz DCXSGAPCFQGFAL-UHFFFAOYSA-N 0 0 388.317 4.259 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000180038705 822602447 /nfs/dbraw/zinc/60/24/47/822602447.db2.gz QHFWNWOTQZTCNW-UHFFFAOYSA-N 0 0 399.560 4.081 20 10 GICDRN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000048104076 822633091 /nfs/dbraw/zinc/63/30/91/822633091.db2.gz YWBVAEGYGRZHDW-INIZCTEOSA-N 0 0 381.476 4.071 20 10 GICDRN O=C(Nc1ncn(C2CCCCC2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000184601422 822664017 /nfs/dbraw/zinc/66/40/17/822664017.db2.gz MMLSMWOVJUUZRX-UHFFFAOYSA-N 0 0 395.463 4.316 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3nc(C)oc3-c3ccccc3)CC2)cc1 ZINC000184615762 822666126 /nfs/dbraw/zinc/66/61/26/822666126.db2.gz PWRUTFOPSWLNJA-UHFFFAOYSA-N 0 0 391.471 4.057 20 10 GICDRN O=S(=O)(Cc1cccc(NCc2cc(F)ccc2O)c1)C1CCCCC1 ZINC000180357664 822669915 /nfs/dbraw/zinc/66/99/15/822669915.db2.gz NUSLICWYJFLMME-UHFFFAOYSA-N 0 0 377.481 4.391 20 10 GICDRN COc1ccc([C@@H](N[C@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961136 822718920 /nfs/dbraw/zinc/71/89/20/822718920.db2.gz XULIXIUMFNRPOG-WAIKUNEKSA-N 0 0 391.515 4.453 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000184979667 822721067 /nfs/dbraw/zinc/72/10/67/822721067.db2.gz PXYCBSCZLKKIQG-LBPRGKRZSA-N 0 0 386.448 4.083 20 10 GICDRN C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185069277 822732456 /nfs/dbraw/zinc/73/24/56/822732456.db2.gz HFTLTYUIIWHSNU-ZDUSSCGKSA-N 0 0 380.319 4.409 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(-n2ccc(=O)cc2)nc1 ZINC000185196898 822748144 /nfs/dbraw/zinc/74/81/44/822748144.db2.gz NJRABZAWWQDRKL-UHFFFAOYSA-N 0 0 398.466 4.201 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c1O ZINC000174276680 822761643 /nfs/dbraw/zinc/76/16/43/822761643.db2.gz WDEMMNGPPAPIKN-CQSZACIVSA-N 0 0 397.500 4.393 20 10 GICDRN C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185593563 822800163 /nfs/dbraw/zinc/80/01/63/822800163.db2.gz DBIIBMUDDOEQMH-NYHFZMIOSA-N 0 0 399.487 4.375 20 10 GICDRN O=C(NCc1nccn1C(F)F)N(Cc1ccccc1O)C1CCCCC1 ZINC000174583464 822808152 /nfs/dbraw/zinc/80/81/52/822808152.db2.gz QYMKAQIAPZKNSN-UHFFFAOYSA-N 0 0 378.423 4.028 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2cncnc2)cc1F ZINC000185766717 822819278 /nfs/dbraw/zinc/81/92/78/822819278.db2.gz HGHOCHSDWOXTMS-UHFFFAOYSA-N 0 0 378.451 4.011 20 10 GICDRN CC(=O)NCC1CCN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000053488554 822837536 /nfs/dbraw/zinc/83/75/36/822837536.db2.gz ASRMTHPGCWMUOB-UHFFFAOYSA-N 0 0 395.547 4.206 20 10 GICDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186191228 822859637 /nfs/dbraw/zinc/85/96/37/822859637.db2.gz XBAOQWBFHIYBGK-UKRRQHHQSA-N 0 0 393.314 4.398 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1COC ZINC000174972278 822862893 /nfs/dbraw/zinc/86/28/93/822862893.db2.gz NXQLSYGCQXDUSO-UHFFFAOYSA-N 0 0 393.281 4.355 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Br)c(OC)c2)c1 ZINC000175025982 822870138 /nfs/dbraw/zinc/87/01/38/822870138.db2.gz MMVLBGQWYPLJPH-SNVBAGLBSA-N 0 0 395.253 4.055 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186314923 822875074 /nfs/dbraw/zinc/87/50/74/822875074.db2.gz ZUQSWEFOFVSYDT-INIZCTEOSA-N 0 0 388.467 4.362 20 10 GICDRN COc1ccc(N[C@H](C)c2cc3c(cc2O)CCCC3)cc1N1CCOC1=O ZINC000186328627 822876772 /nfs/dbraw/zinc/87/67/72/822876772.db2.gz RXOHUZCHQQRXFL-CQSZACIVSA-N 0 0 382.460 4.409 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)ccc21 ZINC000569165449 822886920 /nfs/dbraw/zinc/88/69/20/822886920.db2.gz PDBDEMBWQFPQIF-VXKWHMMOSA-N 0 0 396.531 4.078 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000186398835 822888028 /nfs/dbraw/zinc/88/80/28/822888028.db2.gz UGOZZEYWYGTABF-AOIWGVFYSA-N 0 0 377.525 4.301 20 10 GICDRN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(F)c3)C2=O)cc1 ZINC000054499853 822891018 /nfs/dbraw/zinc/89/10/18/822891018.db2.gz DTDVCMSXCKUPSD-MFOYZWKCSA-N 0 0 386.473 4.498 20 10 GICDRN Cc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1NC(=O)CN1CCCCC1 ZINC000186427585 822893144 /nfs/dbraw/zinc/89/31/44/822893144.db2.gz NFMBUJQILBSTMY-MRXNPFEDSA-N 0 0 385.483 4.437 20 10 GICDRN CC1CCN(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC000054549244 822894770 /nfs/dbraw/zinc/89/47/70/822894770.db2.gz DPHFGWPUPVNIHP-IBGZPJMESA-N 0 0 399.560 4.080 20 10 GICDRN COc1ccc(N[C@H](C)c2ccc3ccccc3c2O)cc1-n1nnnc1C ZINC000186437588 822895473 /nfs/dbraw/zinc/89/54/73/822895473.db2.gz JEBIZAOAAJODAN-CYBMUJFWSA-N 0 0 375.432 4.011 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000186492504 822904500 /nfs/dbraw/zinc/90/45/00/822904500.db2.gz ZVGATXSBNSMYRW-JKSUJKDBSA-N 0 0 376.522 4.092 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N(C)C(C)=O)c3)c2C)cc1 ZINC000175243908 822912563 /nfs/dbraw/zinc/91/25/63/822912563.db2.gz SGLKWFGATKOFGQ-UHFFFAOYSA-N 0 0 391.471 4.338 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000055074758 822936463 /nfs/dbraw/zinc/93/64/63/822936463.db2.gz QHHSCOINEXZDJJ-QGZVFWFLSA-N 0 0 395.503 4.308 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000055074753 822936473 /nfs/dbraw/zinc/93/64/73/822936473.db2.gz QHHSCOINEXZDJJ-KRWDZBQOSA-N 0 0 395.503 4.308 20 10 GICDRN CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000186766048 822951702 /nfs/dbraw/zinc/95/17/02/822951702.db2.gz YRKCPXQFIVNMLM-UHFFFAOYSA-N 0 0 379.504 4.120 20 10 GICDRN Cc1csc([C@H](C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000186802823 822958061 /nfs/dbraw/zinc/95/80/61/822958061.db2.gz QGCXKDVGOHIVNO-CQSZACIVSA-N 0 0 385.489 4.266 20 10 GICDRN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCC(=O)N4C)SC2=S)cc1 ZINC000186838723 822965145 /nfs/dbraw/zinc/96/51/45/822965145.db2.gz MBTQZHFAOWDQTF-LDADJPATSA-N 0 0 394.521 4.310 20 10 GICDRN COc1ccc(N2CCN([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000055527128 822974958 /nfs/dbraw/zinc/97/49/58/822974958.db2.gz SWLWQLTZZYODLO-MRXNPFEDSA-N 0 0 396.466 4.076 20 10 GICDRN COc1cccc([C@@H](C)CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000175544228 822994299 /nfs/dbraw/zinc/99/42/99/822994299.db2.gz XSQCMDNLPWLIKZ-LAUBAEHRSA-N 0 0 383.488 4.102 20 10 GICDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1cccs1 ZINC000175759788 823033182 /nfs/dbraw/zinc/03/31/82/823033182.db2.gz QXLZMVNXAXEILV-AEFFLSMTSA-N 0 0 388.533 4.023 20 10 GICDRN Cc1cc(C(=O)Nc2ccn(CC(F)(F)F)n2)c(C)n1-c1cccc(C)c1 ZINC000124074421 823565312 /nfs/dbraw/zinc/56/53/12/823565312.db2.gz RCFDPFDVVLZDKY-UHFFFAOYSA-N 0 0 376.382 4.414 20 10 GICDRN O=C(Nc1ccccc1OC(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124139236 823571045 /nfs/dbraw/zinc/57/10/45/823571045.db2.gz SFGXWEQWVWYMFY-HNNXBMFYSA-N 0 0 392.402 4.207 20 10 GICDRN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(O)cc(Br)c1O ZINC000124760879 823624121 /nfs/dbraw/zinc/62/41/21/823624121.db2.gz LRJVAYCGGTWUFN-OAHLLOKOSA-N 0 0 397.656 4.100 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000190944735 823628340 /nfs/dbraw/zinc/62/83/40/823628340.db2.gz VUVBGBUPHREHSP-HNNXBMFYSA-N 0 0 396.443 4.160 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000190976226 823633311 /nfs/dbraw/zinc/63/33/11/823633311.db2.gz SDHWGXKYKSKRQW-GFCCVEGCSA-N 0 0 382.382 4.345 20 10 GICDRN CCCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000124930364 823638093 /nfs/dbraw/zinc/63/80/93/823638093.db2.gz JBHAQCKKUYLUPN-FQEVSTJZSA-N 0 0 384.476 4.394 20 10 GICDRN Cc1cc2cc(NC(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC000125074868 823650123 /nfs/dbraw/zinc/65/01/23/823650123.db2.gz CZECXUOOLJZEKK-MRXNPFEDSA-N 0 0 378.476 4.196 20 10 GICDRN COCCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000063163577 823653732 /nfs/dbraw/zinc/65/37/32/823653732.db2.gz LYQZEBJWBKDJQT-UHFFFAOYSA-N 0 0 396.443 4.245 20 10 GICDRN CC(C)(C)n1cc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)nn1 ZINC000191222967 823660518 /nfs/dbraw/zinc/66/05/18/823660518.db2.gz GTIJXNAMDIGOCW-MDWZMJQESA-N 0 0 395.410 4.134 20 10 GICDRN Cn1c(Cl)c(Cl)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125331592 823668489 /nfs/dbraw/zinc/66/84/89/823668489.db2.gz VZFNAXFBCQXFLF-UHFFFAOYSA-N 0 0 379.243 4.473 20 10 GICDRN COc1ccc(CN2C(=O)/C(=C/c3csc(C4CC4)n3)SC2=S)cc1 ZINC000063823510 823699712 /nfs/dbraw/zinc/69/97/12/823699712.db2.gz IAMLYCSMVBOYHH-NVNXTCNLSA-N 0 0 388.539 4.431 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000125741894 823702961 /nfs/dbraw/zinc/70/29/61/823702961.db2.gz HPNROJVUCHZLQI-UHFFFAOYSA-N 0 0 397.519 4.004 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 ZINC000164030898 823771665 /nfs/dbraw/zinc/77/16/65/823771665.db2.gz FKPOOAATBDLUJW-UHFFFAOYSA-N 0 0 389.546 4.064 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)s1 ZINC000164037631 823772753 /nfs/dbraw/zinc/77/27/53/823772753.db2.gz JBYWNAULGXRTNX-UHFFFAOYSA-N 0 0 391.562 4.008 20 10 GICDRN CCn1c2nnc(CSc3ncc(C(C)(C)C)s3)n2c2ccccc2c1=O ZINC000164112786 823778837 /nfs/dbraw/zinc/77/88/37/823778837.db2.gz XKNACZZWVCPUIC-UHFFFAOYSA-N 0 0 399.545 4.110 20 10 GICDRN COc1cc(C)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164303813 823794630 /nfs/dbraw/zinc/79/46/30/823794630.db2.gz LWHCGNWSNULNKI-UHFFFAOYSA-N 0 0 396.487 4.009 20 10 GICDRN O=C1/C(=C\c2ccc(F)c3cccnc23)SC(=S)N1CCc1cccnc1 ZINC000164684934 823816039 /nfs/dbraw/zinc/81/60/39/823816039.db2.gz UXJDCESVDGCJQI-GZTJUZNOSA-N 0 0 395.484 4.213 20 10 GICDRN CN(CCc1ccncc1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000170687989 823939532 /nfs/dbraw/zinc/93/95/32/823939532.db2.gz SMEGHBOBLXQVPB-UHFFFAOYSA-N 0 0 380.536 4.235 20 10 GICDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC(OC3CCCC3)CC2)c1[O-] ZINC000170842052 823987864 /nfs/dbraw/zinc/98/78/64/823987864.db2.gz SVKLYAXOTAEKJV-UHFFFAOYSA-N 0 0 395.499 4.252 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170896234 824002373 /nfs/dbraw/zinc/00/23/73/824002373.db2.gz ZNKTXAMNLZRKAE-UHFFFAOYSA-N 0 0 385.458 4.439 20 10 GICDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000171015518 824038248 /nfs/dbraw/zinc/03/82/48/824038248.db2.gz SLXIUKTWRNHIOC-OAHLLOKOSA-N 0 0 395.415 4.366 20 10 GICDRN CCn1cc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000171018120 824038570 /nfs/dbraw/zinc/03/85/70/824038570.db2.gz ZMQGDJWHAQRKHN-UHFFFAOYSA-N 0 0 377.488 4.069 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(F)ccc(F)c1F ZINC000120828351 823072610 /nfs/dbraw/zinc/07/26/10/823072610.db2.gz OUMUNZCRMWGYJZ-UHFFFAOYSA-N 0 0 381.309 4.132 20 10 GICDRN Cc1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)c(C)n1-c1ccccc1C ZINC000120925233 823087560 /nfs/dbraw/zinc/08/75/60/823087560.db2.gz PVFWAWCVESYGIJ-UHFFFAOYSA-N 0 0 380.517 4.099 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CSc1ccc(O)cc1 ZINC000120996642 823099631 /nfs/dbraw/zinc/09/96/31/823099631.db2.gz RGFMSHWSYIROEH-UHFFFAOYSA-N 0 0 396.306 4.001 20 10 GICDRN COC(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1F ZINC000121159192 823129845 /nfs/dbraw/zinc/12/98/45/823129845.db2.gz WYGWPSYMCSRVPZ-UHFFFAOYSA-N 0 0 398.390 4.145 20 10 GICDRN CC(C)n1ncc2cc(C=CC(=O)N(CC3CCC3)c3ccccc3)c(=O)[nH]c21 ZINC000176207256 823152801 /nfs/dbraw/zinc/15/28/01/823152801.db2.gz KGSZOGOQGIUIHC-VAWYXSNFSA-N 0 0 390.487 4.152 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000121352297 823168770 /nfs/dbraw/zinc/16/87/70/823168770.db2.gz CIWQICNAQNTNQB-NZQKXSOJSA-N 0 0 391.515 4.030 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000056740370 823204541 /nfs/dbraw/zinc/20/45/41/823204541.db2.gz KIXUGYIIUXDKFF-UHFFFAOYSA-N 0 0 381.476 4.119 20 10 GICDRN CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000056754674 823207437 /nfs/dbraw/zinc/20/74/37/823207437.db2.gz AVTINQKGGUYPOU-KRWDZBQOSA-N 0 0 383.492 4.022 20 10 GICDRN CCCCC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000121567773 823207587 /nfs/dbraw/zinc/20/75/87/823207587.db2.gz GOVDFIQPORJGNF-LJQANCHMSA-N 0 0 378.532 4.256 20 10 GICDRN CCCCC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(C)C ZINC000121567632 823207625 /nfs/dbraw/zinc/20/76/25/823207625.db2.gz GOVDFIQPORJGNF-IBGZPJMESA-N 0 0 378.532 4.256 20 10 GICDRN Cc1cc(C(=O)OCC(=O)Nc2cccnc2Cl)c(C)n1-c1cccc(C)c1 ZINC000005924406 817630536 /nfs/dbraw/zinc/63/05/36/817630536.db2.gz JFRNCHBPBIGWCS-UHFFFAOYSA-N 0 0 397.862 4.246 20 10 GICDRN Cc1cc(Br)cc(CNCc2cc(COC(C)(C)C)on2)c1O ZINC000188659252 823281560 /nfs/dbraw/zinc/28/15/60/823281560.db2.gz YMGZPHOREUCREE-UHFFFAOYSA-N 0 0 383.286 4.056 20 10 GICDRN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000006607368 817708409 /nfs/dbraw/zinc/70/84/09/817708409.db2.gz LHUINVMFAXJQHT-UHFFFAOYSA-N 0 0 396.303 4.076 20 10 GICDRN CN(CCC#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112832 817764224 /nfs/dbraw/zinc/76/42/24/817764224.db2.gz JHCGMMVXWAIFMB-JOCHJYFZSA-N 0 0 386.455 4.396 20 10 GICDRN CN(CCC#N)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112835 817764254 /nfs/dbraw/zinc/76/42/54/817764254.db2.gz JHCGMMVXWAIFMB-QFIPXVFZSA-N 0 0 386.455 4.396 20 10 GICDRN COc1ccc(N2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000122003619 823291554 /nfs/dbraw/zinc/29/15/54/823291554.db2.gz SOHXKGPFSSVZLK-MRXNPFEDSA-N 0 0 396.466 4.076 20 10 GICDRN CC[C@@H](CC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000122025415 823295061 /nfs/dbraw/zinc/29/50/61/823295061.db2.gz QUJKSLLCUPURQG-SFHVURJKSA-N 0 0 396.531 4.373 20 10 GICDRN CCOc1ccc(C(C)=O)cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798150 823295488 /nfs/dbraw/zinc/29/54/88/823295488.db2.gz GZVCVYGLDOXYLH-NRFANRHFSA-N 0 0 383.488 4.175 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1c(Cl)nc2sccn12 ZINC000007699857 817897365 /nfs/dbraw/zinc/89/73/65/817897365.db2.gz SFHARJIVGWBLSV-YFHOEESVSA-N 0 0 388.905 4.382 20 10 GICDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000188781129 823304109 /nfs/dbraw/zinc/30/41/09/823304109.db2.gz FSGAUESRGLEEHQ-UHFFFAOYSA-N 0 0 393.317 4.186 20 10 GICDRN COc1cc2c(cc1NCC(=O)Nc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000011619227 818100484 /nfs/dbraw/zinc/10/04/84/818100484.db2.gz YPNJEVRQWHERJA-UHFFFAOYSA-N 0 0 390.395 4.374 20 10 GICDRN Cc1cc(C(=O)CSc2nccn2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000011893541 818127077 /nfs/dbraw/zinc/12/70/77/818127077.db2.gz OAKBSYDRCCLEPQ-UHFFFAOYSA-N 0 0 395.484 4.329 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCc2ccccc2Br)c1 ZINC000122294706 823333592 /nfs/dbraw/zinc/33/35/92/823333592.db2.gz AGJQGINTOAIKNZ-CYBMUJFWSA-N 0 0 392.293 4.363 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000016783145 818477410 /nfs/dbraw/zinc/47/74/10/818477410.db2.gz ZWGFIGMBBMZCKQ-UHFFFAOYSA-N 0 0 382.485 4.058 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1[nH]nc2c1CCCC2 ZINC000189071508 823352302 /nfs/dbraw/zinc/35/23/02/823352302.db2.gz INVVZLOPVQDKOC-KRWDZBQOSA-N 0 0 389.499 4.327 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)c1O ZINC000177037612 823356487 /nfs/dbraw/zinc/35/64/87/823356487.db2.gz ZUPZNOKKJYMZAM-IBGZPJMESA-N 0 0 397.862 4.239 20 10 GICDRN Cc1nc2cc(NC(=O)NCc3ccc(N4CCSCC4)cc3)ccc2o1 ZINC000122475255 823359760 /nfs/dbraw/zinc/35/97/60/823359760.db2.gz GYOBSBZOPYBUFV-UHFFFAOYSA-N 0 0 382.489 4.011 20 10 GICDRN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000177057445 823360926 /nfs/dbraw/zinc/36/09/26/823360926.db2.gz ZRXKTLKSRBZZSF-IBGZPJMESA-N 0 0 393.314 4.334 20 10 GICDRN CN(C)c1ccc(CN(C)Cn2nc3sc4ccccc4n3c2=S)cc1 ZINC000022366833 818797684 /nfs/dbraw/zinc/79/76/84/818797684.db2.gz KABQTJCQMUSPEG-UHFFFAOYSA-N 0 0 383.546 4.235 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000022871844 818868435 /nfs/dbraw/zinc/86/84/35/818868435.db2.gz LXVNPYQKGSHXKS-UHFFFAOYSA-N 0 0 393.512 4.339 20 10 GICDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1C(F)(F)F ZINC000189218545 823377661 /nfs/dbraw/zinc/37/76/61/823377661.db2.gz CGHLZTJOBOUSAW-QGZVFWFLSA-N 0 0 381.442 4.183 20 10 GICDRN COCCN(Cc1coc(-c2cccc(F)c2)n1)c1ccc(OC)c(OC)c1 ZINC000177131173 823378825 /nfs/dbraw/zinc/37/88/25/823378825.db2.gz WKAWVQQAHQUONU-UHFFFAOYSA-N 0 0 386.423 4.151 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000024187629 819030919 /nfs/dbraw/zinc/03/09/19/819030919.db2.gz DVXMLJNDYKLFIX-UHFFFAOYSA-N 0 0 392.503 4.174 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000177154763 823385462 /nfs/dbraw/zinc/38/54/62/823385462.db2.gz TWSKOSXOSRMKSE-JXFKEZNVSA-N 0 0 385.533 4.020 20 10 GICDRN CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058624686 823419025 /nfs/dbraw/zinc/41/90/25/823419025.db2.gz MODOTJFKSULQRP-UHFFFAOYSA-N 0 0 380.492 4.048 20 10 GICDRN COc1ccc(N(Cc2ccco2)Cc2ccc(-n3ccnc3)nc2)cc1F ZINC000177267113 823414995 /nfs/dbraw/zinc/41/49/95/823414995.db2.gz NYCVWEOQMLNLFY-UHFFFAOYSA-N 0 0 378.407 4.215 20 10 GICDRN Cc1cc(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000177283442 823420746 /nfs/dbraw/zinc/42/07/46/823420746.db2.gz KJHUWCOEPFYMDQ-HJWYETAXSA-N 0 0 395.528 4.060 20 10 GICDRN COC(=O)c1sccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000025085658 819923708 /nfs/dbraw/zinc/92/37/08/819923708.db2.gz XVBZKBTXZOQSQA-UHFFFAOYSA-N 0 0 387.505 4.189 20 10 GICDRN CN(C)c1ccc(CNC(=O)CSCc2coc(-c3ccccc3)n2)cc1F ZINC000058733932 823441392 /nfs/dbraw/zinc/44/13/92/823441392.db2.gz CQAMUBZKBHXFQD-UHFFFAOYSA-N 0 0 399.491 4.096 20 10 GICDRN Cc1cc(C(=O)N2CCCCC[C@H]2c2ncon2)c(C)n1-c1ccc(C#N)cc1 ZINC000189564248 823444908 /nfs/dbraw/zinc/44/49/08/823444908.db2.gz RXGNLNFQMGUZCL-FQEVSTJZSA-N 0 0 389.459 4.106 20 10 GICDRN COc1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1NC(C)=O ZINC000027995302 820303221 /nfs/dbraw/zinc/30/32/21/820303221.db2.gz LJAQJCISFWGERG-UHFFFAOYSA-N 0 0 395.434 4.453 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1occc1COc1ccccc1 ZINC000028332098 820325244 /nfs/dbraw/zinc/32/52/44/820325244.db2.gz INNBSQHDIAJGFK-UHFFFAOYSA-N 0 0 376.456 4.389 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 ZINC000028494903 820340440 /nfs/dbraw/zinc/34/04/40/820340440.db2.gz YCLPZOSJPQJYBL-UHFFFAOYSA-N 0 0 399.441 4.277 20 10 GICDRN CCCN(Cc1ccc(N(C)C)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000123238079 823483389 /nfs/dbraw/zinc/48/33/89/823483389.db2.gz JWTGPNZONTWUFD-UHFFFAOYSA-N 0 0 384.911 4.055 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2)c(C)n1-c1ccccc1C ZINC000059004751 823481919 /nfs/dbraw/zinc/48/19/19/823481919.db2.gz BJRZLNOZQUJRKC-UHFFFAOYSA-N 0 0 396.512 4.199 20 10 GICDRN O=C(NCc1nc(C2CC2)cs1)N(Cc1ccco1)Cc1ccccc1O ZINC000123453359 823510457 /nfs/dbraw/zinc/51/04/57/823510457.db2.gz WRYUVCWAPROTFY-UHFFFAOYSA-N 0 0 383.473 4.231 20 10 GICDRN CCOc1cccc(CNc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1O ZINC000123509543 823515937 /nfs/dbraw/zinc/51/59/37/823515937.db2.gz KUQBGDYEQIZSNE-UHFFFAOYSA-N 0 0 397.519 4.136 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cn(C(C)(C)C)nn1 ZINC000190000236 823523935 /nfs/dbraw/zinc/52/39/35/823523935.db2.gz WMPMVPOQUPFWIR-MRXNPFEDSA-N 0 0 378.476 4.142 20 10 GICDRN CC(C)Sc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177830154 823532645 /nfs/dbraw/zinc/53/26/45/823532645.db2.gz MXKAMERGDDKEDY-UHFFFAOYSA-N 0 0 397.544 4.042 20 10 GICDRN COc1cc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000042329713 821300947 /nfs/dbraw/zinc/30/09/47/821300947.db2.gz DDZDYVHFQCVGGQ-KRWDZBQOSA-N 0 0 399.535 4.451 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043296563 821388303 /nfs/dbraw/zinc/38/83/03/821388303.db2.gz XYZWRPSHLSSBKA-QHCPKHFHSA-N 0 0 388.515 4.469 20 10 GICDRN CCCc1csc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000180670989 821389672 /nfs/dbraw/zinc/38/96/72/821389672.db2.gz XRPRVUTWTLNFEZ-INIZCTEOSA-N 0 0 375.494 4.014 20 10 GICDRN COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OCc1cccnc1 ZINC000180761570 821439937 /nfs/dbraw/zinc/43/99/37/821439937.db2.gz NSQKRIAIGPMFHU-UHFFFAOYSA-N 0 0 378.428 4.034 20 10 GICDRN COc1ccc(O)c(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1 ZINC000181066599 821616300 /nfs/dbraw/zinc/61/63/00/821616300.db2.gz FXMRYZXPFHMISM-UHFFFAOYSA-N 0 0 397.496 4.128 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C(F)F)n2C)c(C)n1-c1cccc(F)c1 ZINC000181228364 821707459 /nfs/dbraw/zinc/70/74/59/821707459.db2.gz UOIMQZZOBNAAMB-UHFFFAOYSA-N 0 0 394.422 4.274 20 10 GICDRN CCCN(C(=O)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000181232393 821709494 /nfs/dbraw/zinc/70/94/94/821709494.db2.gz YFPASFVUXXQKBI-ZRDIBKRKSA-N 0 0 382.460 4.010 20 10 GICDRN CC(C)CCC(=O)NCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181583588 821889545 /nfs/dbraw/zinc/88/95/45/821889545.db2.gz CXQCSXLIRYZJDP-GOSISDBHSA-N 0 0 382.504 4.034 20 10 GICDRN C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182208423 822147909 /nfs/dbraw/zinc/14/79/09/822147909.db2.gz VAHUYNUEQMYRJO-OXJNMPFZSA-N 0 0 386.467 4.003 20 10 GICDRN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000182518888 822279313 /nfs/dbraw/zinc/27/93/13/822279313.db2.gz CEGPKFOPYCTEKY-UHFFFAOYSA-N 0 0 399.450 4.189 20 10 GICDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCSc1nccs1 ZINC000182733518 822359514 /nfs/dbraw/zinc/35/95/14/822359514.db2.gz WKFYAFMYAMIWOE-HNNXBMFYSA-N 0 0 393.582 4.292 20 10 GICDRN CC(C)Oc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000045641277 822402174 /nfs/dbraw/zinc/40/21/74/822402174.db2.gz ADZOTONMEBYDKX-NRFANRHFSA-N 0 0 398.503 4.070 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000045720275 822408087 /nfs/dbraw/zinc/40/80/87/822408087.db2.gz BDKPORMECXKMGL-MRXNPFEDSA-N 0 0 382.508 4.004 20 10 GICDRN CCNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000183027329 822413944 /nfs/dbraw/zinc/41/39/44/822413944.db2.gz VATSCZVNSWQVDD-SFHVURJKSA-N 0 0 381.520 4.365 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000183426404 822473400 /nfs/dbraw/zinc/47/34/00/822473400.db2.gz CAEVRCWQXUSJOA-QGZVFWFLSA-N 0 0 375.468 4.367 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000183468652 822479863 /nfs/dbraw/zinc/47/98/63/822479863.db2.gz DDMHTMZVHDXCKK-OAHLLOKOSA-N 0 0 388.423 4.123 20 10 GICDRN COCCn1ccc2ccc(NC(=O)NCCCSc3nccs3)cc21 ZINC000179445624 822484083 /nfs/dbraw/zinc/48/40/83/822484083.db2.gz LLVWDLLBPGMJMW-UHFFFAOYSA-N 0 0 390.534 4.048 20 10 GICDRN COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1OC ZINC000179626283 822515169 /nfs/dbraw/zinc/51/51/69/822515169.db2.gz FXQDBPBYNNFANA-GFCCVEGCSA-N 0 0 377.868 4.425 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000183867902 822538181 /nfs/dbraw/zinc/53/81/81/822538181.db2.gz IILDYBQBLUCZCD-UHFFFAOYSA-N 0 0 394.519 4.017 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000047084373 822543333 /nfs/dbraw/zinc/54/33/33/822543333.db2.gz BFTUZWZZXAFSAR-UHFFFAOYSA-N 0 0 391.309 4.274 20 10 GICDRN COc1ccccc1C(=O)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000184109370 822579444 /nfs/dbraw/zinc/57/94/44/822579444.db2.gz AVQZLAAFRTUZKK-QGZVFWFLSA-N 0 0 389.451 4.374 20 10 GICDRN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047502016 822584837 /nfs/dbraw/zinc/58/48/37/822584837.db2.gz PQZOELWRHDOQRQ-IAGOWNOFSA-N 0 0 395.503 4.174 20 10 GICDRN C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179980504 822589931 /nfs/dbraw/zinc/58/99/31/822589931.db2.gz SEVNBLWSOQYJLA-CQSZACIVSA-N 0 0 384.455 4.043 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000180068293 822608444 /nfs/dbraw/zinc/60/84/44/822608444.db2.gz UJYAONOUAUCEKH-SJORKVTESA-N 0 0 389.565 4.144 20 10 GICDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184967483 822719634 /nfs/dbraw/zinc/71/96/34/822719634.db2.gz MYAYZSHYBIQALM-NSHDSACASA-N 0 0 383.275 4.247 20 10 GICDRN CSc1cccc(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000185015315 822725429 /nfs/dbraw/zinc/72/54/29/822725429.db2.gz GKLNKXAZKVQYGG-UHFFFAOYSA-N 0 0 399.560 4.247 20 10 GICDRN C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185033534 822727487 /nfs/dbraw/zinc/72/74/87/822727487.db2.gz QPEKLAYUWUHUBJ-OLZOCXBDSA-N 0 0 396.318 4.170 20 10 GICDRN Cc1nnc([C@H](N[C@@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324827 822766340 /nfs/dbraw/zinc/76/63/40/822766340.db2.gz HQVOFQZZLRXAOL-APPDUMDISA-N 0 0 387.281 4.021 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(F)ccc1F ZINC000174340400 822774649 /nfs/dbraw/zinc/77/46/49/822774649.db2.gz ABHTUQWSRCIOQJ-UHFFFAOYSA-N 0 0 385.208 4.487 20 10 GICDRN CCOC(=O)c1csc(N(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000174461993 822793356 /nfs/dbraw/zinc/79/33/56/822793356.db2.gz DWDYXUWKDPMYFQ-UHFFFAOYSA-N 0 0 383.473 4.004 20 10 GICDRN Cc1nccn1C[C@H](C)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174498996 822797264 /nfs/dbraw/zinc/79/72/64/822797264.db2.gz KJBDVOGPSWMNAL-QGZVFWFLSA-N 0 0 384.524 4.078 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1O ZINC000174791425 822837488 /nfs/dbraw/zinc/83/74/88/822837488.db2.gz OHOHZOVOEAXMOC-CYBMUJFWSA-N 0 0 383.473 4.085 20 10 GICDRN COC(=O)c1sc(N(C)Cc2ccc(N3CCCCC3)cc2)nc1Cl ZINC000053553569 822840795 /nfs/dbraw/zinc/84/07/95/822840795.db2.gz ATWRLNBFQXMCIN-UHFFFAOYSA-N 0 0 379.913 4.210 20 10 GICDRN CCN(CC)c1ccc(CNc2nnc(-c3cccc(OC)c3OC)o2)cc1 ZINC000186038322 822846184 /nfs/dbraw/zinc/84/61/84/822846184.db2.gz KEJBAGXOIFHUDU-UHFFFAOYSA-N 0 0 382.464 4.212 20 10 GICDRN Cc1cnc([C@H](C)CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)s1 ZINC000186368444 822883051 /nfs/dbraw/zinc/88/30/51/822883051.db2.gz LPPQAZVQFPBSFE-CYBMUJFWSA-N 0 0 378.501 4.264 20 10 GICDRN CCc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cs2)cc1 ZINC000186426871 822893126 /nfs/dbraw/zinc/89/31/26/822893126.db2.gz UORSYACDRBXYNX-AWEZNQCLSA-N 0 0 396.512 4.074 20 10 GICDRN COc1ccc(NC(=O)c2sccc2-n2c(C)ccc2C)cc1NC(C)=O ZINC000054572559 822896464 /nfs/dbraw/zinc/89/64/64/822896464.db2.gz BYRZZYAEUABFBL-UHFFFAOYSA-N 0 0 383.473 4.375 20 10 GICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000186453658 822898126 /nfs/dbraw/zinc/89/81/26/822898126.db2.gz OZRIZGXWUNJWPN-CYBMUJFWSA-N 0 0 381.432 4.413 20 10 GICDRN Cc1noc(C)c1-c1nc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000569436571 822923005 /nfs/dbraw/zinc/92/30/05/822923005.db2.gz FQOIMQOVLZEUDU-UHFFFAOYSA-N 0 0 394.500 4.453 20 10 GICDRN CN1C(=O)CCc2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)ccc21 ZINC000186838449 822965081 /nfs/dbraw/zinc/96/50/81/822965081.db2.gz ICCBDBKBTVFEGY-SFQUDFHCSA-N 0 0 380.494 4.001 20 10 GICDRN CC(C)Cn1ccnc1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175474393 822977612 /nfs/dbraw/zinc/97/76/12/822977612.db2.gz SFVMELFXWSSYFD-UHFFFAOYSA-N 0 0 384.524 4.289 20 10 GICDRN Cc1cc(C(=O)NCc2nnc(C3CC3)o2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000186915863 822979641 /nfs/dbraw/zinc/97/96/41/822979641.db2.gz ZVFULPGLXDFLET-UHFFFAOYSA-N 0 0 378.476 4.408 20 10 GICDRN Cc1cnc(C(C)(C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000175518869 822989569 /nfs/dbraw/zinc/98/95/69/822989569.db2.gz DPEOBCVSXQGTDQ-UHFFFAOYSA-N 0 0 386.565 4.422 20 10 GICDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1ncc(Br)cc1F ZINC000186996640 822994202 /nfs/dbraw/zinc/99/42/02/822994202.db2.gz MNJMDUWVBOPSGA-ZDUSSCGKSA-N 0 0 378.289 4.434 20 10 GICDRN COc1cccc([C@@H](C)CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000175544198 822994295 /nfs/dbraw/zinc/99/42/95/822994295.db2.gz XSQCMDNLPWLIKZ-UWJYYQICSA-N 0 0 383.488 4.102 20 10 GICDRN CCc1ccc([C@H](COC)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000175631961 823010043 /nfs/dbraw/zinc/01/00/43/823010043.db2.gz BSEPBMUVRMHYBK-NRFANRHFSA-N 0 0 399.535 4.361 20 10 GICDRN CCS[C@H]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000175716804 823026243 /nfs/dbraw/zinc/02/62/43/823026243.db2.gz LSQGTVGWOUMABM-XLIONFOSSA-N 0 0 391.581 4.028 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)CC2)cc1 ZINC000175747296 823031200 /nfs/dbraw/zinc/03/12/00/823031200.db2.gz JIZIPFOWMQJSIQ-MBSDFSHPSA-N 0 0 393.531 4.252 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)CC2)cc1 ZINC000175747254 823031213 /nfs/dbraw/zinc/03/12/13/823031213.db2.gz JIZIPFOWMQJSIQ-FDDCHVKYSA-N 0 0 393.531 4.252 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC000175794499 823041999 /nfs/dbraw/zinc/04/19/99/823041999.db2.gz MDUAQFTXMDUUQE-UHFFFAOYSA-N 0 0 397.425 4.326 20 10 GICDRN CC(C)c1nnc2n1CCN(Cc1c3c(ccc1O)oc1c3CCCC1)[C@H]2C ZINC000190222570 823552500 /nfs/dbraw/zinc/55/25/00/823552500.db2.gz NJXOVHOEMADPKO-AWEZNQCLSA-N 0 0 380.492 4.309 20 10 GICDRN CC[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000123964832 823556114 /nfs/dbraw/zinc/55/61/14/823556114.db2.gz XDIQVWNIZHTQCO-FQEVSTJZSA-N 0 0 384.524 4.478 20 10 GICDRN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1c(C)noc1C ZINC000123987079 823557912 /nfs/dbraw/zinc/55/79/12/823557912.db2.gz DGFPGFSJEOETSZ-KRWDZBQOSA-N 0 0 376.476 4.227 20 10 GICDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000124233515 823579635 /nfs/dbraw/zinc/57/96/35/823579635.db2.gz FLSZTNYRAVSGIK-DLBZAZTESA-N 0 0 378.394 4.071 20 10 GICDRN Cc1cc(C(=O)N2CCC(OC3CCCCC3)CC2)c(C)n1-c1ccccn1 ZINC000124295447 823584926 /nfs/dbraw/zinc/58/49/26/823584926.db2.gz DCSQUCKRSXVOIF-UHFFFAOYSA-N 0 0 381.520 4.443 20 10 GICDRN O=C(Nc1nnc(C(F)(F)F)s1)N(Cc1ccco1)Cc1ccccc1O ZINC000124475503 823599822 /nfs/dbraw/zinc/59/98/22/823599822.db2.gz MAIASNBOGCGBNU-UHFFFAOYSA-N 0 0 398.366 4.090 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000061966733 823620321 /nfs/dbraw/zinc/62/03/21/823620321.db2.gz RDFMXGWHWRSJEX-OAHLLOKOSA-N 0 0 389.446 4.449 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1COc1ccccc1 ZINC000190950254 823629279 /nfs/dbraw/zinc/62/92/79/823629279.db2.gz IKMOAZWHLMZDDJ-INIZCTEOSA-N 0 0 392.455 4.430 20 10 GICDRN Cc1csc(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)n1 ZINC000190957561 823630377 /nfs/dbraw/zinc/63/03/77/823630377.db2.gz AECCKBLABBWDOZ-GFCCVEGCSA-N 0 0 383.473 4.282 20 10 GICDRN Cc1nc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2o1 ZINC000124863729 823632273 /nfs/dbraw/zinc/63/22/73/823632273.db2.gz ARMUGKHOHWNQHO-KRWDZBQOSA-N 0 0 381.432 4.055 20 10 GICDRN O=C1O[C@@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CC12CCC2 ZINC000190989089 823635445 /nfs/dbraw/zinc/63/54/45/823635445.db2.gz PTBNWVYPJJTUFG-QZTJIDSGSA-N 0 0 398.528 4.307 20 10 GICDRN COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1OCC(F)(F)F ZINC000124933920 823638413 /nfs/dbraw/zinc/63/84/13/823638413.db2.gz QJJCTUIEGZYSHL-UHFFFAOYSA-N 0 0 384.354 4.006 20 10 GICDRN CC(C)Oc1ccccc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000125053953 823648435 /nfs/dbraw/zinc/64/84/35/823648435.db2.gz HUCFVRCJRBZNDM-SFHVURJKSA-N 0 0 384.476 4.393 20 10 GICDRN CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000125105379 823652016 /nfs/dbraw/zinc/65/20/16/823652016.db2.gz LNORYIMMNNYIIN-FQEVSTJZSA-N 0 0 384.476 4.393 20 10 GICDRN O=C(Nc1ccc(Cl)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000125108049 823652150 /nfs/dbraw/zinc/65/21/50/823652150.db2.gz POSUSSZZKOXXQT-HNNXBMFYSA-N 0 0 378.831 4.398 20 10 GICDRN Cn1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(-c2ccncc2)n1 ZINC000063276519 823659132 /nfs/dbraw/zinc/65/91/32/823659132.db2.gz KVDQORNFACBREP-YBEGLDIGSA-N 0 0 396.472 4.027 20 10 GICDRN Cc1ccc(-n2cccn2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000191286702 823667394 /nfs/dbraw/zinc/66/73/94/823667394.db2.gz ATXWBPAWSPAMPA-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN COc1ccc(-c2cnc(CN(C)c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000125705342 823698396 /nfs/dbraw/zinc/69/83/96/823698396.db2.gz WBRFXYDYUKHOKU-UHFFFAOYSA-N 0 0 384.432 4.012 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000125741141 823702767 /nfs/dbraw/zinc/70/27/67/823702767.db2.gz SHDGGDHRGVCIOP-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN COc1cc(N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc(OC)c1OC ZINC000125748139 823703644 /nfs/dbraw/zinc/70/36/44/823703644.db2.gz PFFOBFPUULOFNR-UHFFFAOYSA-N 0 0 389.839 4.052 20 10 GICDRN COc1cc(N(C)Cc2nn(-c3ccccc3)c3c2CCC3)cc(OC)c1OC ZINC000125751561 823704229 /nfs/dbraw/zinc/70/42/29/823704229.db2.gz RNKVIIFCSYHEOR-UHFFFAOYSA-N 0 0 393.487 4.023 20 10 GICDRN CC(C)Oc1ccc(N(C)Cc2nnc(C(=O)Nc3ccccc3)s2)cc1 ZINC000191591926 823705725 /nfs/dbraw/zinc/70/57/25/823705725.db2.gz ZMDNJNYSWRNEQH-UHFFFAOYSA-N 0 0 382.489 4.214 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2ccn(CCC)c2c1 ZINC000125860078 823731409 /nfs/dbraw/zinc/73/14/09/823731409.db2.gz OIOUHKSXBXKYCI-UHFFFAOYSA-N 0 0 393.487 4.134 20 10 GICDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000164248371 823789591 /nfs/dbraw/zinc/78/95/91/823789591.db2.gz MULDSRQLRAYSTM-JTQLQIEISA-N 0 0 376.503 4.135 20 10 GICDRN COc1ccc2[nH]cc(C3=CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC3)c2c1 ZINC000462091510 823825612 /nfs/dbraw/zinc/82/56/12/823825612.db2.gz ZOZPSLIELZBDHW-UHFFFAOYSA-N 0 0 379.416 4.387 20 10 GICDRN O=C(CCc1cc(Cl)cs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000126717469 823934394 /nfs/dbraw/zinc/93/43/94/823934394.db2.gz GRPSZIGTJCVNIS-INIZCTEOSA-N 0 0 379.909 4.248 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Cc2nc(-c3ccsc3)oc2C)cc1 ZINC000170704733 823947245 /nfs/dbraw/zinc/94/72/45/823947245.db2.gz BOPISARJVXHTIQ-UHFFFAOYSA-N 0 0 383.517 4.417 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc4c(C)nn(C)c4c3)ccc21 ZINC000462378263 823949606 /nfs/dbraw/zinc/94/96/06/823949606.db2.gz RYZFVFIAUPPVBO-UHFFFAOYSA-N 0 0 390.487 4.352 20 10 GICDRN CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000170818420 823979263 /nfs/dbraw/zinc/97/92/63/823979263.db2.gz UCLMHEJPLIWADB-RTWAWAEBSA-N 0 0 382.504 4.104 20 10 GICDRN CO[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171006962 824034869 /nfs/dbraw/zinc/03/48/69/824034869.db2.gz WSGGBZACVFNMEK-NRFANRHFSA-N 0 0 380.444 4.085 20 10 GICDRN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000005710446 209611063 /nfs/dbraw/zinc/61/10/63/209611063.db2.gz GKYDUWZOXCIFNO-LFIBNONCSA-N 0 0 387.457 4.408 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(C)=O)cs1 ZINC000175842833 823052805 /nfs/dbraw/zinc/05/28/05/823052805.db2.gz MSNCACFQTRLWEV-UHFFFAOYSA-N 0 0 382.279 4.081 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2nc(C)ccc2o1 ZINC000175843889 823053253 /nfs/dbraw/zinc/05/32/53/823053253.db2.gz FGJZDWZNIGDFPI-UHFFFAOYSA-N 0 0 389.249 4.267 20 10 GICDRN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1cccc(C)c1 ZINC000120768138 823060482 /nfs/dbraw/zinc/06/04/82/823060482.db2.gz FUKXNMIKYOIBHO-UHFFFAOYSA-N 0 0 379.485 4.175 20 10 GICDRN CNC(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1Cl ZINC000055904244 823064862 /nfs/dbraw/zinc/06/48/62/823064862.db2.gz RNYFECHKTJGKDP-UHFFFAOYSA-N 0 0 381.863 4.359 20 10 GICDRN CCOc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CCO2 ZINC000187549956 823086809 /nfs/dbraw/zinc/08/68/09/823086809.db2.gz MJEXTWZQWNVYBU-OAQYLSRUSA-N 0 0 395.503 4.009 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3sc(C)nc3CC(C)C)CC2)cc1 ZINC000175990131 823090023 /nfs/dbraw/zinc/09/00/23/823090023.db2.gz DZRRBUBQABSQGQ-UHFFFAOYSA-N 0 0 387.549 4.011 20 10 GICDRN COCC(=O)N1CCc2cc(N[C@H](C)c3ccc4ccccc4c3O)ccc21 ZINC000187654079 823106052 /nfs/dbraw/zinc/10/60/52/823106052.db2.gz ULJYPXGPQWIYMS-OAHLLOKOSA-N 0 0 376.456 4.254 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000176053180 823107563 /nfs/dbraw/zinc/10/75/63/823107563.db2.gz DNKWOQGLVWIPEM-CYBMUJFWSA-N 0 0 378.925 4.299 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)cc1 ZINC000176066429 823111129 /nfs/dbraw/zinc/11/11/29/823111129.db2.gz QFBPHLSGMDWEGX-UHFFFAOYSA-N 0 0 376.456 4.409 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1 ZINC000056545217 823165968 /nfs/dbraw/zinc/16/59/68/823165968.db2.gz PXYCUQBDNXTTGT-UHFFFAOYSA-N 0 0 389.883 4.101 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(NC(C)=O)ccc2Cl)cc1 ZINC000056691914 823194149 /nfs/dbraw/zinc/19/41/49/823194149.db2.gz PASPOXHRNIRLDC-UHFFFAOYSA-N 0 0 388.899 4.466 20 10 GICDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000056769065 823210181 /nfs/dbraw/zinc/21/01/81/823210181.db2.gz IDTVTTNLVKWWLJ-SFHVURJKSA-N 0 0 381.520 4.155 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000056876667 823226794 /nfs/dbraw/zinc/22/67/94/823226794.db2.gz VNWOQXABGFSUCI-OAQYLSRUSA-N 0 0 399.922 4.223 20 10 GICDRN COc1ccc(-c2csc(CNC(=O)NCc3cccc(OC)c3O)c2)cc1 ZINC000176518303 823227474 /nfs/dbraw/zinc/22/74/74/823227474.db2.gz NLGTWHQEKOGHJC-UHFFFAOYSA-N 0 0 398.484 4.137 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N(C)CC3(c4ccccc4)CC3)CC2)cc1 ZINC000188426420 823239383 /nfs/dbraw/zinc/23/93/83/823239383.db2.gz XJKSGJMHQGKOHP-UHFFFAOYSA-N 0 0 393.531 4.037 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cc(F)ccc1OC(F)F ZINC000121740711 823240725 /nfs/dbraw/zinc/24/07/25/823240725.db2.gz NFSPMFICHVGGNR-UHFFFAOYSA-N 0 0 377.366 4.125 20 10 GICDRN CCS[C@H]1CCCC[C@H]1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176663283 823260842 /nfs/dbraw/zinc/26/08/42/823260842.db2.gz RFGCVGIEIJEARI-UXHICEINSA-N 0 0 391.581 4.028 20 10 GICDRN CCS[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176663271 823260889 /nfs/dbraw/zinc/26/08/89/823260889.db2.gz RFGCVGIEIJEARI-WOJBJXKFSA-N 0 0 391.581 4.028 20 10 GICDRN Cc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)c(C)n1-c1ccccc1C ZINC000004270423 817514971 /nfs/dbraw/zinc/51/49/71/817514971.db2.gz DYTBJBGCPJLWSZ-UHFFFAOYSA-N 0 0 398.409 4.476 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000121925408 823278228 /nfs/dbraw/zinc/27/82/28/823278228.db2.gz HMEFAPHKFVGAHG-UHFFFAOYSA-N 0 0 379.508 4.049 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccccc2F)cc1 ZINC000006287192 817672894 /nfs/dbraw/zinc/67/28/94/817672894.db2.gz STMZYUHWXCRQBJ-GOSISDBHSA-N 0 0 387.524 4.270 20 10 GICDRN CN(CCC#N)c1ccc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 ZINC000006636970 817713395 /nfs/dbraw/zinc/71/33/95/817713395.db2.gz KCMNBWLGOIIIEN-QGOAFFKASA-N 0 0 399.372 4.400 20 10 GICDRN CC(C)c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000121949617 823283418 /nfs/dbraw/zinc/28/34/18/823283418.db2.gz ZLFNOPMMQDBQGG-UHFFFAOYSA-N 0 0 389.446 4.205 20 10 GICDRN CN(CCC#N)c1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 ZINC000007159365 817774443 /nfs/dbraw/zinc/77/44/43/817774443.db2.gz KCMNBWLGOIIIEN-AQTBWJFISA-N 0 0 399.372 4.400 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc2c1OCCO2 ZINC000007165990 817777823 /nfs/dbraw/zinc/77/78/23/817777823.db2.gz APLMOJAOTQXPJV-BOPFTXTBSA-N 0 0 399.493 4.181 20 10 GICDRN CCCOc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1OC ZINC000007166144 817777901 /nfs/dbraw/zinc/77/79/01/817777901.db2.gz QACYKDSFSBOLTK-BOPFTXTBSA-N 0 0 386.498 4.285 20 10 GICDRN CN(C)c1ccc(CN(C)C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000007370792 817826214 /nfs/dbraw/zinc/82/62/14/817826214.db2.gz HPKCOAFLHOZVEH-UHFFFAOYSA-N 0 0 383.439 4.480 20 10 GICDRN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nncn3CC)c2C)cc1 ZINC000007371850 817826467 /nfs/dbraw/zinc/82/64/67/817826467.db2.gz RTIGQNMMUBMVPI-UHFFFAOYSA-N 0 0 384.505 4.079 20 10 GICDRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 ZINC000014152172 818225198 /nfs/dbraw/zinc/22/51/98/818225198.db2.gz LQMJAFPDZRCXFJ-CQSZACIVSA-N 0 0 397.500 4.296 20 10 GICDRN Cc1cc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)c(C)n1Cc1ccco1 ZINC000015256803 818304195 /nfs/dbraw/zinc/30/41/95/818304195.db2.gz WBICDCHBTMIUOC-WQRHYEAKSA-N 0 0 395.459 4.148 20 10 GICDRN O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)cc2)N1C[C@H]1CCCO1 ZINC000015503788 818331526 /nfs/dbraw/zinc/33/15/26/818331526.db2.gz LQJLEXJHUWFUEM-OFNKIYASSA-N 0 0 391.515 4.422 20 10 GICDRN CSc1cccc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386744 818433188 /nfs/dbraw/zinc/43/31/88/818433188.db2.gz HVKOWCGDYSENKG-UHFFFAOYSA-N 0 0 383.561 4.469 20 10 GICDRN CN(C)c1ccc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000017370700 818513600 /nfs/dbraw/zinc/51/36/00/818513600.db2.gz LALKVVBVCJUSKP-UHFFFAOYSA-N 0 0 378.472 4.073 20 10 GICDRN O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccnc1 ZINC000021190144 818663477 /nfs/dbraw/zinc/66/34/77/818663477.db2.gz QPJOGLUREOFDQX-QPEQYQDCSA-N 0 0 395.278 4.389 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000122464362 823358467 /nfs/dbraw/zinc/35/84/67/823358467.db2.gz WQHKYBGBRCDSAJ-OAQYLSRUSA-N 0 0 381.545 4.287 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000021963577 818759613 /nfs/dbraw/zinc/75/96/13/818759613.db2.gz KFAWSODLVICVIJ-UHFFFAOYSA-N 0 0 386.879 4.331 20 10 GICDRN COc1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1 ZINC000022226081 818784436 /nfs/dbraw/zinc/78/44/36/818784436.db2.gz PXXOJWMLDUDPPQ-OVCLIPMQSA-N 0 0 377.874 4.460 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc3ncccc32)cc1 ZINC000122564533 823373522 /nfs/dbraw/zinc/37/35/22/823373522.db2.gz PXGURGSEIKAFRS-FQEVSTJZSA-N 0 0 389.499 4.122 20 10 GICDRN COC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000023355422 818927133 /nfs/dbraw/zinc/92/71/33/818927133.db2.gz FYTHWYQCYAKAJO-INIZCTEOSA-N 0 0 398.484 4.401 20 10 GICDRN CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)c3cc(OC)ccc3O)c2)n1 ZINC000177154739 823385447 /nfs/dbraw/zinc/38/54/47/823385447.db2.gz XLYHXGFLSMXVBO-ZDUSSCGKSA-N 0 0 396.447 4.204 20 10 GICDRN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122852438 823423488 /nfs/dbraw/zinc/42/34/88/823423488.db2.gz HEYZYXOYWLWYIT-UHFFFAOYSA-N 0 0 394.905 4.217 20 10 GICDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189449829 823419742 /nfs/dbraw/zinc/41/97/42/823419742.db2.gz HZQSJWMJZDGNIJ-QGZVFWFLSA-N 0 0 398.466 4.182 20 10 GICDRN Cc1ccc(/C=C2\SC(=S)N(CCCN(C)c3ccccc3)C2=O)nc1 ZINC000122988404 823444065 /nfs/dbraw/zinc/44/40/65/823444065.db2.gz BDIWSNWAXPLJEI-AQTBWJFISA-N 0 0 383.542 4.118 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000026250918 820075087 /nfs/dbraw/zinc/07/50/87/820075087.db2.gz DOMYZIWDXYYYTO-UHFFFAOYSA-N 0 0 398.422 4.477 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000026529479 820109160 /nfs/dbraw/zinc/10/91/60/820109160.db2.gz MXAPZIFYXIWZDH-OAQYLSRUSA-N 0 0 377.513 4.447 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000027156618 820202025 /nfs/dbraw/zinc/20/20/25/820202025.db2.gz ZMIQUFFAEOGXTJ-NTEUORMPSA-N 0 0 379.460 4.257 20 10 GICDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccc(Cl)cc1 ZINC000028495119 820340299 /nfs/dbraw/zinc/34/02/99/820340299.db2.gz MMHFINZEPBENQZ-UHFFFAOYSA-N 0 0 382.895 4.172 20 10 GICDRN COCCOCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(C)cc3)c2C)cs1 ZINC000028641252 820346894 /nfs/dbraw/zinc/34/68/94/820346894.db2.gz OTRMUTFYWVSTEW-UHFFFAOYSA-N 0 0 399.516 4.128 20 10 GICDRN Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000029211089 820412119 /nfs/dbraw/zinc/41/21/19/820412119.db2.gz NGNPGHPBTUFYDM-UHFFFAOYSA-N 0 0 392.337 4.101 20 10 GICDRN Cc1ccc(C=Cc2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=S)[nH]2)o1 ZINC000029249738 820419266 /nfs/dbraw/zinc/41/92/66/820419266.db2.gz MGDDYYKHHSAWOF-VAWYXSNFSA-N 0 0 383.521 4.168 20 10 GICDRN O=C(NCc1cc2ccccc2o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123203226 823478102 /nfs/dbraw/zinc/47/81/02/823478102.db2.gz QMQHLOGCXZTWHV-SFHVURJKSA-N 0 0 380.444 4.029 20 10 GICDRN Cc1ccc(-c2nnc([C@@H](C)N[C@@H](C)c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000123299557 823492654 /nfs/dbraw/zinc/49/26/54/823492654.db2.gz URSYLPIQHRSBLA-ZWKOTPCHSA-N 0 0 392.503 4.293 20 10 GICDRN Cc1cc(-c2nnc(CN(Cc3ccco3)Cc3ccccc3O)o2)c(C)o1 ZINC000123393646 823505153 /nfs/dbraw/zinc/50/51/53/823505153.db2.gz SRZVNXYQDGEXFJ-UHFFFAOYSA-N 0 0 379.416 4.447 20 10 GICDRN Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000123457623 823510985 /nfs/dbraw/zinc/51/09/85/823510985.db2.gz OEGSZMAUENIQFZ-HOTGVXAUSA-N 0 0 387.549 4.323 20 10 GICDRN COC[C@@H](C)n1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000189923851 823514475 /nfs/dbraw/zinc/51/44/75/823514475.db2.gz HANGTBCJEZRFMC-MRXNPFEDSA-N 0 0 386.496 4.163 20 10 GICDRN Cc1ccc(NCc2c(O)cccc2Cl)cc1NC(=O)CN1CCCCC1 ZINC000123520512 823516746 /nfs/dbraw/zinc/51/67/46/823516746.db2.gz WAJYPHKKSBHXMH-UHFFFAOYSA-N 0 0 387.911 4.391 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000032712302 820995425 /nfs/dbraw/zinc/99/54/25/820995425.db2.gz GKPPMMVWPJZBFJ-UHFFFAOYSA-N 0 0 391.446 4.074 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c(C)n1-c1ccccc1C ZINC000033127114 821036345 /nfs/dbraw/zinc/03/63/45/821036345.db2.gz RDPDTWDUNWFUNN-UHFFFAOYSA-N 0 0 385.471 4.450 20 10 GICDRN O=C(NCCCSc1nccs1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000177817566 823530059 /nfs/dbraw/zinc/53/00/59/823530059.db2.gz OZJONEBHFMIUHE-KRWDZBQOSA-N 0 0 384.530 4.109 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000036624897 821072884 /nfs/dbraw/zinc/07/28/84/821072884.db2.gz WHVLJWGOVZDLFV-UHFFFAOYSA-N 0 0 382.435 4.336 20 10 GICDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000038647979 821098578 /nfs/dbraw/zinc/09/85/78/821098578.db2.gz YOWULOVJYZNAAJ-UHFFFAOYSA-N 0 0 379.416 4.096 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000043472173 821412329 /nfs/dbraw/zinc/41/23/29/821412329.db2.gz KLGNMFXOTBNYFS-UHFFFAOYSA-N 0 0 393.535 4.033 20 10 GICDRN CC(=O)Nc1cc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)ccc1F ZINC000044015863 821503313 /nfs/dbraw/zinc/50/33/13/821503313.db2.gz COASUQLUZWKRKJ-UHFFFAOYSA-N 0 0 398.482 4.438 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C(F)F)n2C)c(C)n1-c1ccc(C)cc1 ZINC000181245984 821716275 /nfs/dbraw/zinc/71/62/75/821716275.db2.gz YDZXARFUFBINKC-UHFFFAOYSA-N 0 0 390.459 4.444 20 10 GICDRN COc1cc(O)c(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC ZINC000181429959 821822781 /nfs/dbraw/zinc/82/27/81/821822781.db2.gz MPTNGURJRMSPIX-LJQANCHMSA-N 0 0 397.393 4.002 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cn2ccccc2n1 ZINC000181579122 821887194 /nfs/dbraw/zinc/88/71/94/821887194.db2.gz NQNKOEIPBHJCRO-GOSISDBHSA-N 0 0 385.467 4.372 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000181585478 821890838 /nfs/dbraw/zinc/89/08/38/821890838.db2.gz XZSRWHWBPKLNPW-MRXNPFEDSA-N 0 0 399.450 4.032 20 10 GICDRN CC(=O)Nc1cccc(N2C(=O)/C(=C/c3cc(F)ccc3C)SC2=S)c1 ZINC000182078223 822084351 /nfs/dbraw/zinc/08/43/51/822084351.db2.gz OMXZKEJPOCWDPY-MFOYZWKCSA-N 0 0 386.473 4.498 20 10 GICDRN Cc1ccc(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1N1CCOC1=O ZINC000182287063 822188167 /nfs/dbraw/zinc/18/81/67/822188167.db2.gz RJCAUGWNVBECHS-INIZCTEOSA-N 0 0 399.466 4.100 20 10 GICDRN Cc1cc(C(=O)N(C)C[C@H](C)c2nccs2)c(C)n1-c1ccc(C#N)cc1 ZINC000182507123 822273380 /nfs/dbraw/zinc/27/33/80/822273380.db2.gz WAODUWWFDMKAKH-AWEZNQCLSA-N 0 0 378.501 4.298 20 10 GICDRN Cc1cc(Br)ccc1/C=C1\SC(=S)N(Cc2ccon2)C1=O ZINC000178017518 822283858 /nfs/dbraw/zinc/28/38/58/822283858.db2.gz GLGIOANDCSFRTR-QPEQYQDCSA-N 0 0 395.303 4.147 20 10 GICDRN COc1cccc([C@H](NCc2cc(OC)ccc2O)c2cc(F)ccc2OC)c1 ZINC000182547899 822296020 /nfs/dbraw/zinc/29/60/20/822296020.db2.gz VJWIWZSSYODENM-QHCPKHFHSA-N 0 0 397.446 4.436 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000045318921 822378747 /nfs/dbraw/zinc/37/87/47/822378747.db2.gz SWNWFZDKAJAAQW-JOCHJYFZSA-N 0 0 381.520 4.444 20 10 GICDRN O=C1/C(=C/c2ccc(F)cc2C(F)(F)F)SC(=S)N1Cc1ccon1 ZINC000178766460 822408260 /nfs/dbraw/zinc/40/82/60/822408260.db2.gz FYKMPAGJYGMUHV-XGICHPGQSA-N 0 0 388.367 4.234 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000045792700 822414219 /nfs/dbraw/zinc/41/42/19/822414219.db2.gz QGTYKDAGFAWUCE-UHFFFAOYSA-N 0 0 376.456 4.313 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000183080238 822422014 /nfs/dbraw/zinc/42/20/14/822422014.db2.gz YPTOBYOGPNEOSZ-UHFFFAOYSA-N 0 0 383.345 4.341 20 10 GICDRN CCOCc1cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)ccc1OC ZINC000179084059 822436536 /nfs/dbraw/zinc/43/65/36/822436536.db2.gz NUKKKDHRBYHKGZ-LJQANCHMSA-N 0 0 387.867 4.147 20 10 GICDRN CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000179116609 822439881 /nfs/dbraw/zinc/43/98/81/822439881.db2.gz AMPVIRZRSGEYTG-UHFFFAOYSA-N 0 0 381.520 4.416 20 10 GICDRN Cc1csc([C@H](C)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000183385651 822466846 /nfs/dbraw/zinc/46/68/46/822466846.db2.gz XVIAGXMVVDKLOE-MRXNPFEDSA-N 0 0 386.565 4.291 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000183426386 822473111 /nfs/dbraw/zinc/47/31/11/822473111.db2.gz CAEVRCWQXUSJOA-KRWDZBQOSA-N 0 0 375.468 4.367 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000183438974 822475123 /nfs/dbraw/zinc/47/51/23/822475123.db2.gz XCZLEGKVSAMTEU-CHWSQXEVSA-N 0 0 381.394 4.358 20 10 GICDRN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000183530605 822490732 /nfs/dbraw/zinc/49/07/32/822490732.db2.gz MECBPJJWSHWMCW-JAFLTTMTSA-N 0 0 377.448 4.234 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000183597834 822499397 /nfs/dbraw/zinc/49/93/97/822499397.db2.gz RIUAIKMRVCEBBW-NSHDSACASA-N 0 0 390.365 4.012 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000183599205 822499528 /nfs/dbraw/zinc/49/95/28/822499528.db2.gz GPGYJDIOURCHJO-LLVKDONJSA-N 0 0 390.365 4.012 20 10 GICDRN Cc1cc(C)c(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c1 ZINC000047323651 822565828 /nfs/dbraw/zinc/56/58/28/822565828.db2.gz FXXFKFNHMXYXMM-UHFFFAOYSA-N 0 0 385.483 4.034 20 10 GICDRN CC(C)c1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047333922 822567511 /nfs/dbraw/zinc/56/75/11/822567511.db2.gz GXGRYWWMKNIXIN-UHFFFAOYSA-N 0 0 381.520 4.340 20 10 GICDRN CC(C)c1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047334391 822567754 /nfs/dbraw/zinc/56/77/54/822567754.db2.gz GZYCJDKKVDXTCG-UHFFFAOYSA-N 0 0 385.483 4.232 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cc(Cl)ccc1F ZINC000047376446 822572211 /nfs/dbraw/zinc/57/22/11/822572211.db2.gz XNINNAMHCSITPW-UHFFFAOYSA-N 0 0 391.874 4.010 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ncccc1C(F)(F)F ZINC000179978649 822589507 /nfs/dbraw/zinc/58/95/07/822589507.db2.gz XEUXOFGVUUWRKQ-UHFFFAOYSA-N 0 0 396.324 4.128 20 10 GICDRN Cc1c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cccc1N1CCOC1=O ZINC000180019244 822597848 /nfs/dbraw/zinc/59/78/48/822597848.db2.gz XFFPSHRBSOCEMN-MRXNPFEDSA-N 0 0 399.466 4.100 20 10 GICDRN COCCOc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047756821 822606332 /nfs/dbraw/zinc/60/63/32/822606332.db2.gz LMJDWDXHDIOIIX-UHFFFAOYSA-N 0 0 396.443 4.245 20 10 GICDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000180168118 822631235 /nfs/dbraw/zinc/63/12/35/822631235.db2.gz CXAIDTHWHZSOES-HXUWFJFHSA-N 0 0 385.847 4.291 20 10 GICDRN Cc1cc(Br)cc(CNCc2ncc(-c3ccccc3)cn2)c1O ZINC000184443587 822636203 /nfs/dbraw/zinc/63/62/03/822636203.db2.gz XAEILAGGQSGLKC-UHFFFAOYSA-N 0 0 384.277 4.210 20 10 GICDRN CSCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000048402520 822659982 /nfs/dbraw/zinc/65/99/82/822659982.db2.gz MMDQRBWOTDUMKG-FMIVXFBMSA-N 0 0 388.377 4.403 20 10 GICDRN COc1cc(Cl)cc(CN[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c1O ZINC000184711025 822680578 /nfs/dbraw/zinc/68/05/78/822680578.db2.gz HXZGFZPPLZWHMF-INIZCTEOSA-N 0 0 394.258 4.278 20 10 GICDRN COc1cc(CN2CCSC[C@@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877402 822705670 /nfs/dbraw/zinc/70/56/70/822705670.db2.gz OUVJRMXVZPDHNG-MRXNPFEDSA-N 0 0 378.563 4.445 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(Cc3ccccc3F)s2)c1 ZINC000184979831 822721115 /nfs/dbraw/zinc/72/11/15/822721115.db2.gz INTWPCRDYGBFRL-LBPRGKRZSA-N 0 0 386.448 4.078 20 10 GICDRN C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1[O-] ZINC000185024707 822726517 /nfs/dbraw/zinc/72/65/17/822726517.db2.gz PQRQEWPECIKQNB-LBPRGKRZSA-N 0 0 383.389 4.265 20 10 GICDRN C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185054093 822729821 /nfs/dbraw/zinc/72/98/21/822729821.db2.gz HEOBUPBQHTZGAJ-CYBMUJFWSA-N 0 0 380.319 4.409 20 10 GICDRN Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000185084572 822734713 /nfs/dbraw/zinc/73/47/13/822734713.db2.gz JSRHSJPEYAVHFJ-LLVKDONJSA-N 0 0 377.275 4.439 20 10 GICDRN C[C@H](c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1)C(F)(F)F ZINC000455852653 822737210 /nfs/dbraw/zinc/73/72/10/822737210.db2.gz TWBFQAZYOKTUTF-CYBMUJFWSA-N 0 0 378.394 4.458 20 10 GICDRN CSCCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S ZINC000052221358 822793414 /nfs/dbraw/zinc/79/34/14/822793414.db2.gz OCVOKFADBBMYHN-VBKFSLOCSA-N 0 0 378.588 4.023 20 10 GICDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCSCC3)cc2)c2ccncc21 ZINC000052428567 822799177 /nfs/dbraw/zinc/79/91/77/822799177.db2.gz ZWANUAHBCNPPLW-UHFFFAOYSA-N 0 0 380.473 4.308 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000174522994 822800641 /nfs/dbraw/zinc/80/06/41/822800641.db2.gz NFAGRYAXUKSVTC-UHFFFAOYSA-N 0 0 379.485 4.049 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc(C)c(C)s1 ZINC000174619321 822813396 /nfs/dbraw/zinc/81/33/96/822813396.db2.gz RRGMHBZCCZFFLH-UHFFFAOYSA-N 0 0 384.299 4.282 20 10 GICDRN COc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nccs3)n2)cc1 ZINC000052914105 822815446 /nfs/dbraw/zinc/81/54/46/822815446.db2.gz UPZMJAITIKKFNG-JTQLQIEISA-N 0 0 377.516 4.395 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c(C)n1-c1ccc(F)cc1 ZINC000185952721 822836630 /nfs/dbraw/zinc/83/66/30/822836630.db2.gz WFORVIBXLPTTQD-UHFFFAOYSA-N 0 0 397.425 4.326 20 10 GICDRN COCCN(Cc1coc(-c2ccc(OC)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000174799956 822838790 /nfs/dbraw/zinc/83/87/90/822838790.db2.gz YEWOSSCIWDKDBU-UHFFFAOYSA-N 0 0 398.459 4.020 20 10 GICDRN c1cc(N2CCOCC2)ccc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000053583232 822841647 /nfs/dbraw/zinc/84/16/47/822841647.db2.gz OHYQNEQLDFVKKM-UHFFFAOYSA-N 0 0 380.517 4.019 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)c2ccc(Br)cc2n1 ZINC000053916585 822852948 /nfs/dbraw/zinc/85/29/48/822852948.db2.gz WMGRAMYRJMQUSB-UHFFFAOYSA-N 0 0 385.261 4.284 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(C)(CC(F)(F)F)C3)ccc21 ZINC000457111966 822854339 /nfs/dbraw/zinc/85/43/39/822854339.db2.gz GCHSGLJPMQOMPB-UHFFFAOYSA-N 0 0 382.426 4.319 20 10 GICDRN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCCCSc1nccs1 ZINC000186213459 822861450 /nfs/dbraw/zinc/86/14/50/822861450.db2.gz JSAVGFXRUWNXGK-UHFFFAOYSA-N 0 0 393.534 4.247 20 10 GICDRN CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cc(Br)ccc2O)c1 ZINC000186291210 822871686 /nfs/dbraw/zinc/87/16/86/822871686.db2.gz WRPQWUGOCCGGQV-NWDGAFQWSA-N 0 0 393.281 4.301 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC000054395058 822881820 /nfs/dbraw/zinc/88/18/20/822881820.db2.gz SNWBFLMULQZJEN-UHFFFAOYSA-N 0 0 384.505 4.201 20 10 GICDRN COc1ccc(N[C@H](C)c2ccc3ccccc3c2O)cc1NS(C)(=O)=O ZINC000186405172 822888998 /nfs/dbraw/zinc/88/89/98/822888998.db2.gz ADVFTRZAGMKXAT-CYBMUJFWSA-N 0 0 386.473 4.099 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cccs2)c1 ZINC000186420209 822891673 /nfs/dbraw/zinc/89/16/73/822891673.db2.gz AQENOKNNJNFLOE-CQSZACIVSA-N 0 0 383.469 4.099 20 10 GICDRN CC(C)COc1ccc(C(C)(C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186430378 822893847 /nfs/dbraw/zinc/89/38/47/822893847.db2.gz VZZMOBBABQBUOZ-INIZCTEOSA-N 0 0 385.504 4.158 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175323316 822935029 /nfs/dbraw/zinc/93/50/29/822935029.db2.gz DRPSSFPDWYGBHJ-ZDUSSCGKSA-N 0 0 399.882 4.016 20 10 GICDRN CC[C@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1ccncc1 ZINC000175327275 822936107 /nfs/dbraw/zinc/93/61/07/822936107.db2.gz FFOFJWPHFVYYEI-INIZCTEOSA-N 0 0 392.297 4.233 20 10 GICDRN CSCc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000175349223 822941700 /nfs/dbraw/zinc/94/17/00/822941700.db2.gz RMEMBKZDACNIDT-SFHVURJKSA-N 0 0 389.492 4.216 20 10 GICDRN C[C@H](NCc1cc(COC(C)(C)C)on1)c1ccc(Br)cc1O ZINC000186828445 822962891 /nfs/dbraw/zinc/96/28/91/822962891.db2.gz QDOIFEMSVHEEPW-NSHDSACASA-N 0 0 383.286 4.309 20 10 GICDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC000570004603 822995461 /nfs/dbraw/zinc/99/54/61/822995461.db2.gz FMBSJTXIOWAYNH-UHFFFAOYSA-N 0 0 394.862 4.328 20 10 GICDRN CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C12CCC2 ZINC000175665545 823015897 /nfs/dbraw/zinc/01/58/97/823015897.db2.gz NJYOVKRKUGKGSH-VQTJNVASSA-N 0 0 384.476 4.045 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(OC4COC4)cc3)cc2)CC1 ZINC000187214143 823025856 /nfs/dbraw/zinc/02/58/56/823025856.db2.gz XARJCKVCPCKZDU-UHFFFAOYSA-N 0 0 395.503 4.022 20 10 GICDRN CCS[C@@H]1CCC[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000175716742 823026194 /nfs/dbraw/zinc/02/61/94/823026194.db2.gz LSQGTVGWOUMABM-FXAWDEMLSA-N 0 0 391.581 4.028 20 10 GICDRN O=C(CSC1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000060871857 823563909 /nfs/dbraw/zinc/56/39/09/823563909.db2.gz YGHBPODFIMHDJE-UHFFFAOYSA-N 0 0 379.481 4.466 20 10 GICDRN CCOC1CC(CC(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)C1 ZINC000190360738 823566301 /nfs/dbraw/zinc/56/63/01/823566301.db2.gz PDCRSXQIQFNZQX-UHFFFAOYSA-N 0 0 396.531 4.500 20 10 GICDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000124233645 823579599 /nfs/dbraw/zinc/57/95/99/823579599.db2.gz FLSZTNYRAVSGIK-IRXDYDNUSA-N 0 0 378.394 4.071 20 10 GICDRN COc1ccc(N2CCCN(C(=O)CCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000124386804 823592569 /nfs/dbraw/zinc/59/25/69/823592569.db2.gz UQWFKRRCKBDEDL-UHFFFAOYSA-N 0 0 388.458 4.035 20 10 GICDRN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000124504522 823602227 /nfs/dbraw/zinc/60/22/27/823602227.db2.gz BZIGRRPAOJQGAN-JKSUJKDBSA-N 0 0 396.466 4.124 20 10 GICDRN C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000124524573 823603552 /nfs/dbraw/zinc/60/35/52/823603552.db2.gz UJJWFBXSGBGWOC-IBGZPJMESA-N 0 0 378.516 4.113 20 10 GICDRN C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccc(N2CCOCC2)cc1 ZINC000124526446 823603736 /nfs/dbraw/zinc/60/37/36/823603736.db2.gz FUOBJEPMAYNWEM-GOSISDBHSA-N 0 0 387.483 4.076 20 10 GICDRN Cc1nc(-c2cccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2)oc1C ZINC000190951710 823629523 /nfs/dbraw/zinc/62/95/23/823629523.db2.gz WLLZEJIYVHWNRO-LBPRGKRZSA-N 0 0 381.432 4.122 20 10 GICDRN CC(=O)c1cc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)n(C)c1 ZINC000124907874 823635912 /nfs/dbraw/zinc/63/59/12/823635912.db2.gz YLVQUHLAEJZAIW-INIZCTEOSA-N 0 0 376.456 4.337 20 10 GICDRN CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC000191117707 823650890 /nfs/dbraw/zinc/65/08/90/823650890.db2.gz FFSYZLDONCXDOZ-QGZVFWFLSA-N 0 0 383.458 4.407 20 10 GICDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125335962 823668895 /nfs/dbraw/zinc/66/88/95/823668895.db2.gz UNOGQFSQJUMBAY-AWEZNQCLSA-N 0 0 387.382 4.260 20 10 GICDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1Cl ZINC000163399207 823706463 /nfs/dbraw/zinc/70/64/63/823706463.db2.gz BMCJZCPBEXHVEM-CYBMUJFWSA-N 0 0 399.844 4.441 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@@H](c3ccccc3Br)C2)c1O ZINC000164257269 823790498 /nfs/dbraw/zinc/79/04/98/823790498.db2.gz SPKNHPLBFWHLFW-GOSISDBHSA-N 0 0 392.293 4.045 20 10 GICDRN O=C(NCCCSc1nccs1)NOCc1ccc(C(F)(F)F)cc1 ZINC000164307785 823795186 /nfs/dbraw/zinc/79/51/86/823795186.db2.gz MITHKLUTIZKXET-UHFFFAOYSA-N 0 0 391.440 4.075 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170682622 823937014 /nfs/dbraw/zinc/93/70/14/823937014.db2.gz XXIMJOTZMTYGDK-FCHUYYIVSA-N 0 0 379.504 4.006 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000170682624 823937140 /nfs/dbraw/zinc/93/71/40/823937140.db2.gz XXIMJOTZMTYGDK-YADHBBJMSA-N 0 0 379.504 4.006 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(Br)cc2F)c1 ZINC000170903275 824003114 /nfs/dbraw/zinc/00/31/14/824003114.db2.gz KPVDBERPMPFSRE-SECBINFHSA-N 0 0 383.217 4.185 20 10 GICDRN CN(C)c1ccc(NC(=S)NCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000098181339 211380778 /nfs/dbraw/zinc/38/07/78/211380778.db2.gz YLMQKEYLHGDCLJ-UHFFFAOYSA-N 0 0 388.846 4.306 20 10 GICDRN COc1ccccc1NC(=S)NCc1ncc(C(F)(F)F)cc1Cl ZINC000098181320 211379490 /nfs/dbraw/zinc/37/94/90/211379490.db2.gz KVPMSMZXCHGZRJ-UHFFFAOYSA-N 0 0 375.803 4.249 20 10 GICDRN Cc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175930993 823075798 /nfs/dbraw/zinc/07/57/98/823075798.db2.gz XYCQYNFIWIFOSH-UHFFFAOYSA-N 0 0 395.547 4.088 20 10 GICDRN CCCCn1nc(C)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC000121300081 823158394 /nfs/dbraw/zinc/15/83/94/823158394.db2.gz MGBJIRNUAWBCRK-UHFFFAOYSA-N 0 0 390.959 4.114 20 10 GICDRN Cc1coc2ccc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)cc12 ZINC000187994758 823168642 /nfs/dbraw/zinc/16/86/42/823168642.db2.gz OZSRATCAGBDKSQ-UHFFFAOYSA-N 0 0 393.487 4.272 20 10 GICDRN O=C1C(=Cc2c[nH]nc2-c2ccccc2F)SC(=S)N1c1cccnc1 ZINC000176386598 823195913 /nfs/dbraw/zinc/19/59/13/823195913.db2.gz XRICOTRWWJXDNM-NVNXTCNLSA-N 0 0 382.445 4.017 20 10 GICDRN Cc1cc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c(C)n1-c1ccccc1C ZINC000176419724 823204326 /nfs/dbraw/zinc/20/43/26/823204326.db2.gz AILUPSFRGKHSLG-NRFANRHFSA-N 0 0 396.531 4.203 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCOCc1ccccc1 ZINC000176438650 823207868 /nfs/dbraw/zinc/20/78/68/823207868.db2.gz JDRZHVGWGBNFRM-UHFFFAOYSA-N 0 0 381.520 4.035 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2sc([C@@H](C)OC)nc2C)cc1F ZINC000176575117 823240243 /nfs/dbraw/zinc/24/02/43/823240243.db2.gz SKUPCWGVLFWQRE-CYBMUJFWSA-N 0 0 379.501 4.074 20 10 GICDRN O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1 ZINC000001509981 817376902 /nfs/dbraw/zinc/37/69/02/817376902.db2.gz GKUMGYHGYUIHHG-UHFFFAOYSA-N 0 0 382.466 4.470 20 10 GICDRN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000005971710 817634019 /nfs/dbraw/zinc/63/40/19/817634019.db2.gz PFGWJUKJMZLIDT-UHFFFAOYSA-N 0 0 379.416 4.276 20 10 GICDRN CN(C)C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005982227 817636067 /nfs/dbraw/zinc/63/60/67/817636067.db2.gz BUUUZPFEUMHLDQ-UHFFFAOYSA-N 0 0 385.920 4.432 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000007215607 817795193 /nfs/dbraw/zinc/79/51/93/817795193.db2.gz MQDCIBNCXLDSCN-UHFFFAOYSA-N 0 0 394.346 4.150 20 10 GICDRN Cc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000188710809 823290473 /nfs/dbraw/zinc/29/04/73/823290473.db2.gz AMMGNGCMQPZBKD-MRXNPFEDSA-N 0 0 395.482 4.165 20 10 GICDRN CCc1ccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000007518357 817860038 /nfs/dbraw/zinc/86/00/38/817860038.db2.gz AEKXMKPZNFQXHK-UHFFFAOYSA-N 0 0 384.383 4.490 20 10 GICDRN CCOc1ccc(C(C)=O)cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798162 823295313 /nfs/dbraw/zinc/29/53/13/823295313.db2.gz GZVCVYGLDOXYLH-OAQYLSRUSA-N 0 0 383.488 4.175 20 10 GICDRN Cc1nc(Cl)ccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000122047118 823298516 /nfs/dbraw/zinc/29/85/16/823298516.db2.gz XASZEWMOXJRYTD-UHFFFAOYSA-N 0 0 395.837 4.044 20 10 GICDRN CC(=O)Nc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000011085433 818051304 /nfs/dbraw/zinc/05/13/04/818051304.db2.gz NTOROFSASNRZSJ-UHFFFAOYSA-N 0 0 375.472 4.025 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2)cc1F ZINC000057647862 823318424 /nfs/dbraw/zinc/31/84/24/823318424.db2.gz RYNOEKSTZBCTTB-UHFFFAOYSA-N 0 0 381.451 4.397 20 10 GICDRN FC(F)Oc1ccc(NC(=S)NNc2cccc(Br)c2)cc1 ZINC000015153466 818295525 /nfs/dbraw/zinc/29/55/25/818295525.db2.gz PBIKIQNAYCCEQB-UHFFFAOYSA-N 0 0 388.237 4.364 20 10 GICDRN Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1Cc1ccco1 ZINC000015260448 818304841 /nfs/dbraw/zinc/30/48/41/818304841.db2.gz HLRXCHQWOLMBCQ-UNOMPAQXSA-N 0 0 383.517 4.137 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000016134434 818396486 /nfs/dbraw/zinc/39/64/86/818396486.db2.gz GTCZPSRGQFYERA-UHFFFAOYSA-N 0 0 393.314 4.031 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1NCc1cccnc1 ZINC000177057526 823361174 /nfs/dbraw/zinc/36/11/74/823361174.db2.gz PCAJPJQNNJCLKV-UHFFFAOYSA-N 0 0 386.499 4.224 20 10 GICDRN COC(=O)c1ccccc1-c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)o1 ZINC000022347775 818794997 /nfs/dbraw/zinc/79/49/97/818794997.db2.gz SMZXHGZOGVYOJV-AQTBWJFISA-N 0 0 396.468 4.189 20 10 GICDRN Cc1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000022488123 818816080 /nfs/dbraw/zinc/81/60/80/818816080.db2.gz AUGNKDIXSPFGFR-UHFFFAOYSA-N 0 0 390.462 4.472 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3ncccc32)cc1 ZINC000122564753 823373566 /nfs/dbraw/zinc/37/35/66/823373566.db2.gz PXGURGSEIKAFRS-HXUWFJFHSA-N 0 0 389.499 4.122 20 10 GICDRN Cc1cc(Br)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1Cl ZINC000122670609 823391265 /nfs/dbraw/zinc/39/12/65/823391265.db2.gz ZHIHYAVRMCOZLH-UHFFFAOYSA-N 0 0 399.672 4.186 20 10 GICDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(SC(C)C)cc3)c2)CC1 ZINC000189335415 823396067 /nfs/dbraw/zinc/39/60/67/823396067.db2.gz WWQRGLRMPROGRQ-UHFFFAOYSA-N 0 0 397.544 4.108 20 10 GICDRN Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)ccc1F ZINC000189448901 823419437 /nfs/dbraw/zinc/41/94/37/823419437.db2.gz JDIQIOMEPPWRQT-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc(F)c1)c1ccc(N)cc1 ZINC000189446972 823418768 /nfs/dbraw/zinc/41/87/68/823418768.db2.gz IEJZHWZHBFWJRD-OAHLLOKOSA-N 0 0 377.419 4.141 20 10 GICDRN Cc1c(F)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446632 823418790 /nfs/dbraw/zinc/41/87/90/823418790.db2.gz UQIFORLCDXHNCE-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN O=C(Nc1ccc2c(c1)C(=O)CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177292856 823423495 /nfs/dbraw/zinc/42/34/95/823423495.db2.gz SEBINFFADLIXFQ-LJQANCHMSA-N 0 0 394.471 4.124 20 10 GICDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000122866132 823425725 /nfs/dbraw/zinc/42/57/25/823425725.db2.gz MOZLXXPJVQTFQB-UHFFFAOYSA-N 0 0 398.463 4.258 20 10 GICDRN CCO[C@H](C)c1nc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)cs1 ZINC000177347698 823441830 /nfs/dbraw/zinc/44/18/30/823441830.db2.gz OOZXGZIPJAHPMO-GFCCVEGCSA-N 0 0 382.913 4.434 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000189574077 823448018 /nfs/dbraw/zinc/44/80/18/823448018.db2.gz QMGZLWUKOGVXOX-AWEZNQCLSA-N 0 0 390.867 4.125 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(OC)cc3OC)c2C)cc1 ZINC000027066959 820188385 /nfs/dbraw/zinc/18/83/85/820188385.db2.gz GGKNPRSSDZDZRP-UHFFFAOYSA-N 0 0 380.444 4.372 20 10 GICDRN Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000027807514 820287416 /nfs/dbraw/zinc/28/74/16/820287416.db2.gz BLHZEUYCVUDZMD-UHFFFAOYSA-N 0 0 391.515 4.453 20 10 GICDRN Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000028356278 820329055 /nfs/dbraw/zinc/32/90/55/820329055.db2.gz WVIHCEHPZQZCKK-INIZCTEOSA-N 0 0 387.549 4.104 20 10 GICDRN Cc1cc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C ZINC000059271021 823488685 /nfs/dbraw/zinc/48/86/85/823488685.db2.gz LNVGREKWNKMTEK-UHFFFAOYSA-N 0 0 397.496 4.068 20 10 GICDRN Oc1ccccc1CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000177675530 823511893 /nfs/dbraw/zinc/51/18/93/823511893.db2.gz QOYGRMRHYXETMW-LJQANCHMSA-N 0 0 382.435 4.368 20 10 GICDRN Cc1ccc(NCc2cc(C)c(C)cc2O)cc1NC(=O)CN1CCCCC1 ZINC000123525511 823517683 /nfs/dbraw/zinc/51/76/83/823517683.db2.gz REVFCJPXCCWZDY-UHFFFAOYSA-N 0 0 381.520 4.354 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000177685884 823513552 /nfs/dbraw/zinc/51/35/52/823513552.db2.gz MYVKTZDKBZXUTP-AREMUKBSSA-N 0 0 386.542 4.165 20 10 GICDRN COC(=O)c1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000035040283 821063949 /nfs/dbraw/zinc/06/39/49/821063949.db2.gz ZMKOJOMRXUXORQ-GZTJUZNOSA-N 0 0 397.477 4.082 20 10 GICDRN O=C(NCCCSc1nccs1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000177794843 823527072 /nfs/dbraw/zinc/52/70/72/823527072.db2.gz YHNQVLSTAOZPBA-CYBMUJFWSA-N 0 0 383.926 4.102 20 10 GICDRN O=C(CSc1nccc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000177850679 823536147 /nfs/dbraw/zinc/53/61/47/823536147.db2.gz VFSKQNMBVUJRTN-UHFFFAOYSA-N 0 0 377.513 4.244 20 10 GICDRN CCN(C(=O)NCCCSc1nccs1)[C@@H](C)c1cccc(OC)c1 ZINC000177851312 823536365 /nfs/dbraw/zinc/53/63/65/823536365.db2.gz GCFZFQOOKIBPOK-AWEZNQCLSA-N 0 0 379.551 4.427 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000180631051 821375408 /nfs/dbraw/zinc/37/54/08/821375408.db2.gz FNUJLTYURAINGD-ONNFQVAWSA-N 0 0 377.362 4.321 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000180681680 821393939 /nfs/dbraw/zinc/39/39/39/821393939.db2.gz KARJXCLYAQHXOY-HXUWFJFHSA-N 0 0 383.467 4.139 20 10 GICDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccc(F)cc1F ZINC000180764721 821442072 /nfs/dbraw/zinc/44/20/72/821442072.db2.gz AWZLYMUSFWXAGU-WDZFZDKYSA-N 0 0 384.410 4.340 20 10 GICDRN O=C1/C(=C/c2cccc3cnccc23)SC(=S)N1CCc1ccccn1 ZINC000180923762 821540383 /nfs/dbraw/zinc/54/03/83/821540383.db2.gz QJFCPOJOYMMBHN-PDGQHHTCSA-N 0 0 377.494 4.074 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C(F)F)n2C)c(C)n1-c1ccccc1C ZINC000181293395 821739928 /nfs/dbraw/zinc/73/99/28/821739928.db2.gz BHUJZNMQGFCKEY-UHFFFAOYSA-N 0 0 390.459 4.444 20 10 GICDRN Cc1nc(-c2cc3c(s2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C3)cs1 ZINC000181308553 821747633 /nfs/dbraw/zinc/74/76/33/821747633.db2.gz DCLFYBWLXVZMAM-HWKANZROSA-N 0 0 398.509 4.189 20 10 GICDRN COc1ccc(O)c(CNC(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000181548157 821876374 /nfs/dbraw/zinc/87/63/74/821876374.db2.gz ZOGHGXRWLSLQLE-UHFFFAOYSA-N 0 0 378.428 4.302 20 10 GICDRN Cc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1OC(F)F ZINC000182053779 822075904 /nfs/dbraw/zinc/07/59/04/822075904.db2.gz ZZJLSIZOQRZQIM-JYRVWZFOSA-N 0 0 378.425 4.397 20 10 GICDRN COCCOc1ccc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000182152633 822119738 /nfs/dbraw/zinc/11/97/38/822119738.db2.gz NAONBIKYGSOWQF-QGZVFWFLSA-N 0 0 388.483 4.169 20 10 GICDRN C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182208485 822147966 /nfs/dbraw/zinc/14/79/66/822147966.db2.gz VAHUYNUEQMYRJO-UZLBHIALSA-N 0 0 386.467 4.003 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2ccccc2COC2CCOCC2)cc1 ZINC000178500671 822385403 /nfs/dbraw/zinc/38/54/03/822385403.db2.gz ILVQPXDVNYQWCM-UHFFFAOYSA-N 0 0 396.531 4.158 20 10 GICDRN COCCCOc1ccccc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182939840 822396596 /nfs/dbraw/zinc/39/65/96/822396596.db2.gz NOOXYNGHFVASRN-QGZVFWFLSA-N 0 0 388.483 4.251 20 10 GICDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182992254 822407156 /nfs/dbraw/zinc/40/71/56/822407156.db2.gz SKPRYNWARIGQQZ-UHFFFAOYSA-N 0 0 396.491 4.086 20 10 GICDRN Cc1c(NC(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccccc1F ZINC000178987802 822426645 /nfs/dbraw/zinc/42/66/45/822426645.db2.gz JMOMNHAOHFRQDP-UHFFFAOYSA-N 0 0 393.466 4.242 20 10 GICDRN Fc1ccc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)nc1 ZINC000183374156 822465555 /nfs/dbraw/zinc/46/55/55/822465555.db2.gz PKNVDLVIDYIFMY-HSZRJFAPSA-N 0 0 395.453 4.076 20 10 GICDRN Cc1cc(C(=O)Nc2ccccc2C(=O)N(C)C)c(C)n1-c1cccc(C)c1 ZINC000046385196 822467558 /nfs/dbraw/zinc/46/75/58/822467558.db2.gz UUOIKUMDAZMPLX-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1ccccc1C(F)(F)F ZINC000183417151 822471370 /nfs/dbraw/zinc/47/13/70/822471370.db2.gz YFTNZDYRMKPYKA-OLZOCXBDSA-N 0 0 381.394 4.358 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000183417206 822471387 /nfs/dbraw/zinc/47/13/87/822471387.db2.gz YFTNZDYRMKPYKA-QWHCGFSZSA-N 0 0 381.394 4.358 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000183449559 822476771 /nfs/dbraw/zinc/47/67/71/822476771.db2.gz IMLCATKGCNXLHV-GFCCVEGCSA-N 0 0 381.394 4.142 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000183451965 822477031 /nfs/dbraw/zinc/47/70/31/822477031.db2.gz LHOMGFFMQLUKDE-STQMWFEESA-N 0 0 381.394 4.358 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000183464215 822478954 /nfs/dbraw/zinc/47/89/54/822478954.db2.gz CCLNRZWCPOHOMO-LBPRGKRZSA-N 0 0 394.452 4.329 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000183464236 822478963 /nfs/dbraw/zinc/47/89/63/822478963.db2.gz CCLNRZWCPOHOMO-GFCCVEGCSA-N 0 0 394.452 4.329 20 10 GICDRN CCCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000046675156 822502923 /nfs/dbraw/zinc/50/29/23/822502923.db2.gz RDBRZWNZSYHGMO-QGZVFWFLSA-N 0 0 399.535 4.453 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccccc2N2CCCCC2)cc1 ZINC000183696621 822513155 /nfs/dbraw/zinc/51/31/55/822513155.db2.gz LWWKZHHEFAPEJM-UHFFFAOYSA-N 0 0 380.536 4.085 20 10 GICDRN CCCC(=O)Nc1ccc(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000046848948 822524066 /nfs/dbraw/zinc/52/40/66/822524066.db2.gz XYHVJBHSNNZRPB-UHFFFAOYSA-N 0 0 396.535 4.223 20 10 GICDRN CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000046984252 822535286 /nfs/dbraw/zinc/53/52/86/822535286.db2.gz PKVQEIFFDBNKMO-UHFFFAOYSA-N 0 0 380.517 4.238 20 10 GICDRN CCN(Cc1ccccc1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047040834 822539389 /nfs/dbraw/zinc/53/93/89/822539389.db2.gz XTGWKTCTSVDEKY-UHFFFAOYSA-N 0 0 383.561 4.280 20 10 GICDRN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047040867 822539400 /nfs/dbraw/zinc/53/94/00/822539400.db2.gz BTDVPDUYNIKURC-UHFFFAOYSA-N 0 0 389.952 4.235 20 10 GICDRN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047502012 822584781 /nfs/dbraw/zinc/58/47/81/822584781.db2.gz PQZOELWRHDOQRQ-CALCHBBNSA-N 0 0 395.503 4.174 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000048099606 822632078 /nfs/dbraw/zinc/63/20/78/822632078.db2.gz DOPMSZYJNFFCTM-UHFFFAOYSA-N 0 0 381.476 4.072 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000180305079 822660453 /nfs/dbraw/zinc/66/04/53/822660453.db2.gz ISIJVUTZAADDRA-UHFFFAOYSA-N 0 0 387.443 4.278 20 10 GICDRN COc1ccc(N(Cc2ccco2)Cc2cc(-c3cnn(C)c3C)no2)cc1F ZINC000184664519 822672663 /nfs/dbraw/zinc/67/26/63/822672663.db2.gz FHBUKVZTHRWIBH-UHFFFAOYSA-N 0 0 396.422 4.331 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000180398338 822675406 /nfs/dbraw/zinc/67/54/06/822675406.db2.gz QNSQFBAITGDQES-UHFFFAOYSA-N 0 0 390.483 4.348 20 10 GICDRN CCOc1cccc(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)c1O ZINC000180522219 822695618 /nfs/dbraw/zinc/69/56/18/822695618.db2.gz FDENDFKKUROKMO-UHFFFAOYSA-N 0 0 377.488 4.400 20 10 GICDRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185306461 822762866 /nfs/dbraw/zinc/76/28/66/822762866.db2.gz OZAOHJMFQBPMSR-HZPDHXFCSA-N 0 0 385.483 4.199 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)c1 ZINC000174304187 822767714 /nfs/dbraw/zinc/76/77/14/822767714.db2.gz CSHYXNCFTXSHJC-CECAUBDESA-N 0 0 398.503 4.237 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(OCc2ccccc2F)cc1 ZINC000185339480 822768366 /nfs/dbraw/zinc/76/83/66/822768366.db2.gz BXLHDIXUEDTDCC-UHFFFAOYSA-N 0 0 394.446 4.452 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186101277 822851914 /nfs/dbraw/zinc/85/19/14/822851914.db2.gz RFLRTPKIZLTZIR-JKSUJKDBSA-N 0 0 388.483 4.238 20 10 GICDRN C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1O ZINC000053916553 822852911 /nfs/dbraw/zinc/85/29/11/822852911.db2.gz DQZUHXMUUMSQTK-GFCCVEGCSA-N 0 0 380.307 4.294 20 10 GICDRN COCc1cccc(/C=C2\SC(=S)N(CCc3cccs3)C2=O)c1 ZINC000174913299 822854855 /nfs/dbraw/zinc/85/48/55/822854855.db2.gz GHEBDHVLJAPYII-WJDWOHSUSA-N 0 0 375.540 4.338 20 10 GICDRN COc1cc(CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1O ZINC000174935782 822858033 /nfs/dbraw/zinc/85/80/33/822858033.db2.gz FMBMZHUIKAABMK-UHFFFAOYSA-N 0 0 398.503 4.193 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000186390164 822886649 /nfs/dbraw/zinc/88/66/49/822886649.db2.gz DETQDCPUMYNJBN-LBPRGKRZSA-N 0 0 387.382 4.213 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000175220369 822907827 /nfs/dbraw/zinc/90/78/27/822907827.db2.gz YAWULEIRDWJWMZ-FQEVSTJZSA-N 0 0 384.476 4.394 20 10 GICDRN Cc1ccccc1[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CO1 ZINC000175225807 822908960 /nfs/dbraw/zinc/90/89/60/822908960.db2.gz CYFZZZLYWQPBKN-XXBNENTESA-N 0 0 391.515 4.043 20 10 GICDRN Cc1c(C(=O)Nc2cccc(N3CCCCC3)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000055356271 822954169 /nfs/dbraw/zinc/95/41/69/822954169.db2.gz VFPLJGAGJMPPEG-UHFFFAOYSA-N 0 0 384.392 4.054 20 10 GICDRN Cc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCC(=O)N3C)SC1=S ZINC000186838810 822965061 /nfs/dbraw/zinc/96/50/61/822965061.db2.gz XZNQEKQDUXQQQP-LDADJPATSA-N 0 0 394.521 4.310 20 10 GICDRN CC(C)=CCSc1ccccc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000186857480 822968774 /nfs/dbraw/zinc/96/87/74/822968774.db2.gz XBKYJNVSIFLDLY-UHFFFAOYSA-N 0 0 377.575 4.483 20 10 GICDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2F)C[C@H](C)O1 ZINC000055529523 822975169 /nfs/dbraw/zinc/97/51/69/822975169.db2.gz OMSBHBJTESGKIK-GJZGRUSLSA-N 0 0 382.435 4.116 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000175659378 823014584 /nfs/dbraw/zinc/01/45/84/823014584.db2.gz VGLKPPTULPWUME-AWEZNQCLSA-N 0 0 397.500 4.127 20 10 GICDRN Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175738980 823029982 /nfs/dbraw/zinc/02/99/82/823029982.db2.gz BQXDCPFCELSZIA-UHFFFAOYSA-N 0 0 381.476 4.166 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000187247294 823030053 /nfs/dbraw/zinc/03/00/53/823030053.db2.gz BXJNQRJHDVCMHJ-GOSISDBHSA-N 0 0 379.426 4.240 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1Cc1cccs1 ZINC000123919785 823551771 /nfs/dbraw/zinc/55/17/71/823551771.db2.gz PGJQKVLNHIYXID-GDNBJRDFSA-N 0 0 387.555 4.145 20 10 GICDRN CC(C)c1nnc2n1CCN(Cc1c3c(ccc1O)oc1c3CCCC1)[C@@H]2C ZINC000190222550 823552368 /nfs/dbraw/zinc/55/23/68/823552368.db2.gz NJXOVHOEMADPKO-CQSZACIVSA-N 0 0 380.492 4.309 20 10 GICDRN NC(=O)c1ccc(N2C(=O)/C(=C/c3cc4ccccc4s3)SC2=S)cc1 ZINC000123937680 823553332 /nfs/dbraw/zinc/55/33/32/823553332.db2.gz REXMWNXQFFMBMT-YBEGLDIGSA-N 0 0 396.518 4.406 20 10 GICDRN CC[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1c(C)noc1C ZINC000123965069 823556130 /nfs/dbraw/zinc/55/61/30/823556130.db2.gz XDIQVWNIZHTQCO-HXUWFJFHSA-N 0 0 384.524 4.478 20 10 GICDRN O=C(c1ccc(C(F)(F)F)c(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000190262686 823557594 /nfs/dbraw/zinc/55/75/94/823557594.db2.gz OXFKRYCDQVUJDU-OAHLLOKOSA-N 0 0 397.368 4.372 20 10 GICDRN COc1ccc(Cl)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123998307 823558767 /nfs/dbraw/zinc/55/87/67/823558767.db2.gz UDUFSGOVMHZCQE-INIZCTEOSA-N 0 0 390.867 4.267 20 10 GICDRN O=C1/C(=C\c2ccc(OCC3CC3)cc2)SC(=S)N1CCc1ccccn1 ZINC000190400787 823569315 /nfs/dbraw/zinc/56/93/15/823569315.db2.gz BWJKZPWEQBGXCM-CPNJWEJPSA-N 0 0 396.537 4.314 20 10 GICDRN Cc1cc(C(=O)Nc2ccn(CC(F)(F)F)n2)c(C)n1-c1ccc(F)cc1 ZINC000124128037 823570065 /nfs/dbraw/zinc/57/00/65/823570065.db2.gz BTSXUFJFQOFBKN-UHFFFAOYSA-N 0 0 380.345 4.244 20 10 GICDRN Cc1oc(-c2cccs2)nc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000124284848 823583685 /nfs/dbraw/zinc/58/36/85/823583685.db2.gz TVGCBAOETFMVHE-UHFFFAOYSA-N 0 0 383.517 4.180 20 10 GICDRN Cc1cscc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000124351363 823589349 /nfs/dbraw/zinc/58/93/49/823589349.db2.gz SRJLUBXQFUKVGK-UHFFFAOYSA-N 0 0 381.448 4.448 20 10 GICDRN CCc1cnc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)s1 ZINC000190806373 823611390 /nfs/dbraw/zinc/61/13/90/823611390.db2.gz JJAGLQXPVMTYDH-AWEZNQCLSA-N 0 0 394.500 4.021 20 10 GICDRN C[C@@H]1CN(c2ccc(NCc3cccc(Br)c3O)cc2)C[C@H](C)O1 ZINC000124814563 823628269 /nfs/dbraw/zinc/62/82/69/823628269.db2.gz DALODWVBQQLCEI-OKILXGFUSA-N 0 0 391.309 4.380 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191007718 823637690 /nfs/dbraw/zinc/63/76/90/823637690.db2.gz OEEKEOGNEHRCBT-LBPRGKRZSA-N 0 0 397.393 4.021 20 10 GICDRN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC000125174252 823656773 /nfs/dbraw/zinc/65/67/73/823656773.db2.gz FYPHXFLWTOOEPK-FQEVSTJZSA-N 0 0 395.547 4.158 20 10 GICDRN CCCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000125242515 823661682 /nfs/dbraw/zinc/66/16/82/823661682.db2.gz QNYAJNWUVZQRTM-HXUWFJFHSA-N 0 0 384.476 4.394 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(C)cc2OCC2CC2)c1 ZINC000125470219 823678860 /nfs/dbraw/zinc/67/88/60/823678860.db2.gz JVFZDXQGPNNKHH-OAHLLOKOSA-N 0 0 384.476 4.058 20 10 GICDRN CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125491158 823680508 /nfs/dbraw/zinc/68/05/08/823680508.db2.gz MSYKKQSTOCFLRR-GOSISDBHSA-N 0 0 379.504 4.410 20 10 GICDRN Cc1c(NCc2cc(Br)ccc2O)cccc1C(=O)N1CCCC1 ZINC000125636265 823692308 /nfs/dbraw/zinc/69/23/08/823692308.db2.gz WBPJYYPPLIGTJT-UHFFFAOYSA-N 0 0 389.293 4.311 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc(Br)c1 ZINC000125685239 823696604 /nfs/dbraw/zinc/69/66/04/823696604.db2.gz XLILCIIBKZNOPQ-UHFFFAOYSA-N 0 0 388.309 4.107 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000125756296 823704909 /nfs/dbraw/zinc/70/49/09/823704909.db2.gz JSCINMMOBWZFMV-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN COc1cc(N(C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc(OC)c1OC ZINC000125758192 823705218 /nfs/dbraw/zinc/70/52/18/823705218.db2.gz SLQRYSYHZAYZTN-UHFFFAOYSA-N 0 0 383.444 4.072 20 10 GICDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000164094134 823776692 /nfs/dbraw/zinc/77/66/92/823776692.db2.gz BSDBVUXUEBLLNS-NSHDSACASA-N 0 0 398.575 4.176 20 10 GICDRN Cc1ccc(F)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000164312279 823795221 /nfs/dbraw/zinc/79/52/21/823795221.db2.gz FKVLSYDWCCOICE-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN CCCc1c(NC(=O)N(C)Cc2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000191950395 823821762 /nfs/dbraw/zinc/82/17/62/823821762.db2.gz OOPXLJCFJIVFIE-UHFFFAOYSA-N 0 0 382.439 4.333 20 10 GICDRN O=C1/C(=C\c2ccc([N+](=O)[O-])c(Cl)c2)SC(=S)N1c1cccnc1 ZINC000126294450 823832097 /nfs/dbraw/zinc/83/20/97/823832097.db2.gz MKJYUTKJSZJIHF-NTUHNPAUSA-N 0 0 377.834 4.049 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170695297 823943205 /nfs/dbraw/zinc/94/32/05/823943205.db2.gz FFJMWEFEFBRHRS-VXKWHMMOSA-N 0 0 381.520 4.204 20 10 GICDRN COc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1OC ZINC000170888989 824001147 /nfs/dbraw/zinc/00/11/47/824001147.db2.gz SQYAHSFJXUONQG-UHFFFAOYSA-N 0 0 398.503 4.454 20 10 GICDRN Cc1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2ccccn2)cc1 ZINC000192494878 824010801 /nfs/dbraw/zinc/01/08/01/824010801.db2.gz OPJJSSCQVOVQSF-UHFFFAOYSA-N 0 0 396.457 4.154 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCC(=O)c1cccs1 ZINC000175842145 823052773 /nfs/dbraw/zinc/05/27/73/823052773.db2.gz UHIFBKBOWWSDQK-UHFFFAOYSA-N 0 0 396.306 4.228 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)cc1 ZINC000175909093 823070109 /nfs/dbraw/zinc/07/01/09/823070109.db2.gz DGDIWYZCRKIBTR-NOZRDPDXSA-N 0 0 390.527 4.074 20 10 GICDRN COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000187510601 823077894 /nfs/dbraw/zinc/07/78/94/823077894.db2.gz LTVCBDYGIUFHFF-MRXNPFEDSA-N 0 0 383.492 4.401 20 10 GICDRN COC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F ZINC000121239773 823145480 /nfs/dbraw/zinc/14/54/80/823145480.db2.gz YSVSRYPKUMNZLX-UHFFFAOYSA-N 0 0 399.466 4.267 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)NCc3ccc(C(C)(C)O)cc3)cc2)CC1 ZINC000187874144 823150870 /nfs/dbraw/zinc/15/08/70/823150870.db2.gz GCUKACOUFXLYHZ-UHFFFAOYSA-N 0 0 395.547 4.150 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000124450178 823597809 /nfs/dbraw/zinc/59/78/09/823597809.db2.gz QTCPNOWEQNOYTO-LLVKDONJSA-N 0 0 394.313 4.037 20 10 GICDRN CCSc1cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)ccn1 ZINC000188103881 823187103 /nfs/dbraw/zinc/18/71/03/823187103.db2.gz UAGOSOYWDJLZHI-UHFFFAOYSA-N 0 0 397.500 4.404 20 10 GICDRN Cc1cc(C(=O)NC[C@H](O)c2ccncc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000121561813 823206122 /nfs/dbraw/zinc/20/61/22/823206122.db2.gz QOOITWUTYMVYFN-QFIPXVFZSA-N 0 0 377.488 4.076 20 10 GICDRN Cc1cc(C(=O)NCc2ccc([S@@](C)=O)cc2)c(C)n1-c1cccc(C)c1 ZINC000176436519 823207377 /nfs/dbraw/zinc/20/73/77/823207377.db2.gz OCOBYLFMTVWFOX-HHHXNRCGSA-N 0 0 380.513 4.070 20 10 GICDRN O=C(NCCCSc1nccs1)c1ccc(Cl)cc1Br ZINC000121610087 823215308 /nfs/dbraw/zinc/21/53/08/823215308.db2.gz CLNNCVPUOMMIBW-UHFFFAOYSA-N 0 0 391.743 4.471 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)CC1 ZINC000188379680 823229975 /nfs/dbraw/zinc/22/99/75/823229975.db2.gz OMDDTHPVOBUPIX-UHFFFAOYSA-N 0 0 377.410 4.267 20 10 GICDRN CSc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000056943694 823233370 /nfs/dbraw/zinc/23/33/70/823233370.db2.gz ZASNJWOCCMZINN-SFHVURJKSA-N 0 0 386.517 4.005 20 10 GICDRN CCS[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176663257 823260793 /nfs/dbraw/zinc/26/07/93/823260793.db2.gz RFGCVGIEIJEARI-PMACEKPBSA-N 0 0 391.581 4.028 20 10 GICDRN Cc1cc(C(=O)OCC(=O)Nc2cccnc2Cl)c(C)n1-c1ccccc1C ZINC000004270217 817515112 /nfs/dbraw/zinc/51/51/12/817515112.db2.gz VLPRQVFKUAIUDR-UHFFFAOYSA-N 0 0 397.862 4.246 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(COc2ccccc2)c1 ZINC000057260284 823272150 /nfs/dbraw/zinc/27/21/50/823272150.db2.gz VLVNYVKDICYIJW-UHFFFAOYSA-N 0 0 376.456 4.313 20 10 GICDRN COc1ccccc1NC(=S)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006568787 817706506 /nfs/dbraw/zinc/70/65/06/817706506.db2.gz CTTJVIVLDWETPW-IBGZPJMESA-N 0 0 399.560 4.139 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000006976267 817732691 /nfs/dbraw/zinc/73/26/91/817732691.db2.gz RTWDSDZFAGFTDB-UHFFFAOYSA-N 0 0 394.346 4.150 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)c1cccc(N2CCCC2=O)c1 ZINC000007179214 817783635 /nfs/dbraw/zinc/78/36/35/817783635.db2.gz ZICANZSZMRLEGW-UHFFFAOYSA-N 0 0 391.496 4.189 20 10 GICDRN CCn1c2ccccc2n(CN(C)Cc2ccc(N3CCOCC3)cc2)c1=S ZINC000007317473 817817603 /nfs/dbraw/zinc/81/76/03/817817603.db2.gz AVPUPXMEZURTAG-UHFFFAOYSA-N 0 0 396.560 4.118 20 10 GICDRN Cc1cc(C)c(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000007325625 817818292 /nfs/dbraw/zinc/81/82/92/817818292.db2.gz AZRLQNIJHXAKQH-UHFFFAOYSA-N 0 0 395.828 4.087 20 10 GICDRN CC(C)c1ccc(NC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000007435513 817841084 /nfs/dbraw/zinc/84/10/84/817841084.db2.gz DAHICHAMZCZFJY-UHFFFAOYSA-N 0 0 383.561 4.475 20 10 GICDRN CCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000011890313 818127156 /nfs/dbraw/zinc/12/71/56/818127156.db2.gz HQKJVEHHINXEBR-UHFFFAOYSA-N 0 0 383.473 4.014 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000188852926 823317307 /nfs/dbraw/zinc/31/73/07/823317307.db2.gz UOPKJDNNYYSPAO-HNNXBMFYSA-N 0 0 383.521 4.088 20 10 GICDRN Cc1cc(Br)ccc1SCC(=O)NCc1ccc(N(C)C)cc1 ZINC000015134439 818293882 /nfs/dbraw/zinc/29/38/82/818293882.db2.gz KAUOIWDCFGXLGU-UHFFFAOYSA-N 0 0 393.350 4.232 20 10 GICDRN Cc1cc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)c(C)n1C1CC1 ZINC000015282226 818305656 /nfs/dbraw/zinc/30/56/56/818305656.db2.gz CUFCSMCWHIDSDR-ZDLGFXPLSA-N 0 0 385.920 4.351 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(-c2ccncc2)oc1=S ZINC000016878152 818486430 /nfs/dbraw/zinc/48/64/30/818486430.db2.gz LGZGMOZEKOLJKU-UHFFFAOYSA-N 0 0 395.532 4.347 20 10 GICDRN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000020987524 818644488 /nfs/dbraw/zinc/64/44/88/818644488.db2.gz LFQJLRSHEBZZKG-BOPFTXTBSA-N 0 0 383.429 4.357 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000021391566 818683493 /nfs/dbraw/zinc/68/34/93/818683493.db2.gz LIEIVBKMCMIRQH-UHFFFAOYSA-N 0 0 381.451 4.138 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000122465218 823358288 /nfs/dbraw/zinc/35/82/88/823358288.db2.gz VJPSVGFWERFMBW-NRFANRHFSA-N 0 0 399.535 4.426 20 10 GICDRN COc1ccccc1N1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S ZINC000022226063 818783683 /nfs/dbraw/zinc/78/36/83/818783683.db2.gz KYMLKNYDNOCMED-OQLLNIDSSA-N 0 0 377.874 4.460 20 10 GICDRN Cc1cc(C(=O)COC(=O)Cc2csc(C)n2)c(C)n1-c1ccc(C)cc1 ZINC000022520625 818820580 /nfs/dbraw/zinc/82/05/80/818820580.db2.gz IWIIGTXPEYOBMG-UHFFFAOYSA-N 0 0 382.485 4.136 20 10 GICDRN COc1cccc(F)c1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000122522256 823366611 /nfs/dbraw/zinc/36/66/11/823366611.db2.gz FVBQYBJEXNLUAW-CABCVRRESA-N 0 0 376.447 4.222 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(c(OC)c2)O[C@@H](C)C3)cc1 ZINC000024187685 819030953 /nfs/dbraw/zinc/03/09/53/819030953.db2.gz UCLBHYMLFARBIE-INIZCTEOSA-N 0 0 382.504 4.137 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000024208072 819033958 /nfs/dbraw/zinc/03/39/58/819033958.db2.gz ZIHHOVXJOFRWOH-UHFFFAOYSA-N 0 0 391.515 4.076 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000177154749 823385484 /nfs/dbraw/zinc/38/54/84/823385484.db2.gz TWSKOSXOSRMKSE-UZLBHIALSA-N 0 0 385.533 4.020 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1-n1cccn1 ZINC000177154781 823385515 /nfs/dbraw/zinc/38/55/15/823385515.db2.gz JOHVGESJQDVOSS-SFHVURJKSA-N 0 0 389.503 4.033 20 10 GICDRN CCCCOCCOCc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000058440705 823391629 /nfs/dbraw/zinc/39/16/29/823391629.db2.gz JXOCMICRIBXQGV-UHFFFAOYSA-N 0 0 386.492 4.389 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000058530370 823404628 /nfs/dbraw/zinc/40/46/28/823404628.db2.gz DHKQPFJKTPEUNQ-UHFFFAOYSA-N 0 0 393.361 4.332 20 10 GICDRN CSc1ccccc1NC(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177246105 823408663 /nfs/dbraw/zinc/40/86/63/823408663.db2.gz FLWXBDIFOMSAEJ-UHFFFAOYSA-N 0 0 392.908 4.041 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000177261955 823413107 /nfs/dbraw/zinc/41/31/07/823413107.db2.gz GBPCMIHRQDEOAZ-LJQANCHMSA-N 0 0 395.528 4.034 20 10 GICDRN Cc1cc(F)cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1 ZINC000189447809 823419042 /nfs/dbraw/zinc/41/90/42/823419042.db2.gz YHQBYIYMOIIOCZ-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1ccc(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446280 823418488 /nfs/dbraw/zinc/41/84/88/823418488.db2.gz CNFSQYXZXUPBKH-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000026520720 820107842 /nfs/dbraw/zinc/10/78/42/820107842.db2.gz RSSQKBWZKUTRIR-UHFFFAOYSA-N 0 0 379.426 4.156 20 10 GICDRN CN(CC(=O)Nc1sccc1C#N)c1ccc(OCc2ccccc2)cc1 ZINC000189644189 823465922 /nfs/dbraw/zinc/46/59/22/823465922.db2.gz QMTTUQUPTFSMOD-UHFFFAOYSA-N 0 0 377.469 4.274 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccccc1C ZINC000029161209 820403002 /nfs/dbraw/zinc/40/30/02/820403002.db2.gz XCZSVMHMDFZJFJ-UHFFFAOYSA-N 0 0 397.500 4.026 20 10 GICDRN CN(C)c1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000029979154 820559741 /nfs/dbraw/zinc/55/97/41/820559741.db2.gz WKCQKYVPZLVJDN-UHFFFAOYSA-N 0 0 384.314 4.200 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000177685873 823513599 /nfs/dbraw/zinc/51/35/99/823513599.db2.gz MYVKTZDKBZXUTP-SANMLTNESA-N 0 0 386.542 4.165 20 10 GICDRN CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000189950429 823517259 /nfs/dbraw/zinc/51/72/59/823517259.db2.gz SVIHVLKARPFOSC-UHFFFAOYSA-N 0 0 379.504 4.216 20 10 GICDRN Cn1ccc2cccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)c21 ZINC000190027689 823528175 /nfs/dbraw/zinc/52/81/75/823528175.db2.gz VVDBPMOVXOMRBA-UHFFFAOYSA-N 0 0 380.517 4.053 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000038642865 821098527 /nfs/dbraw/zinc/09/85/27/821098527.db2.gz GORMTGLVXCIRAB-OAQYLSRUSA-N 0 0 386.923 4.156 20 10 GICDRN Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c(C)n1-c1ccc(F)cc1 ZINC000123758846 823538022 /nfs/dbraw/zinc/53/80/22/823538022.db2.gz AVVLNKZXIFEPEY-UHFFFAOYSA-N 0 0 391.446 4.114 20 10 GICDRN Cc1noc(CSc2ccccc2C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000042864700 821340297 /nfs/dbraw/zinc/34/02/97/821340297.db2.gz ADWDNBJQBGKJCX-UHFFFAOYSA-N 0 0 396.516 4.009 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1cccc(C)c1 ZINC000042643787 821319047 /nfs/dbraw/zinc/31/90/47/821319047.db2.gz CFWOAOXOVCBTGQ-UHFFFAOYSA-N 0 0 389.499 4.034 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000044969793 821683960 /nfs/dbraw/zinc/68/39/60/821683960.db2.gz TVJBTWZZVVDBEY-UHFFFAOYSA-N 0 0 388.515 4.194 20 10 GICDRN O=C(Cc1ccccc1)Nc1cc(NCc2cc3c(cc2O)OCO3)ccc1F ZINC000181406061 821808950 /nfs/dbraw/zinc/80/89/50/821808950.db2.gz ZKTMDXNZIPIYPD-UHFFFAOYSA-N 0 0 394.402 4.053 20 10 GICDRN COc1cccc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1O ZINC000181410087 821811274 /nfs/dbraw/zinc/81/12/74/821811274.db2.gz HLFFGMOHPLRUCB-UHFFFAOYSA-N 0 0 380.419 4.333 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000182464634 822253506 /nfs/dbraw/zinc/25/35/06/822253506.db2.gz ZIWLLMAARXSCPK-UHFFFAOYSA-N 0 0 390.365 4.261 20 10 GICDRN C[C@@H](NCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177972279 822264071 /nfs/dbraw/zinc/26/40/71/822264071.db2.gz VYEWSMBVVWCMGV-MRXNPFEDSA-N 0 0 381.451 4.168 20 10 GICDRN Cc1cc(C(=O)N(C)C[C@@H](C)c2nccs2)c(C)n1-c1ccc(C#N)cc1 ZINC000182507101 822273348 /nfs/dbraw/zinc/27/33/48/822273348.db2.gz WAODUWWFDMKAKH-CQSZACIVSA-N 0 0 378.501 4.298 20 10 GICDRN O=C(NCc1ccc(O)c(O)c1)c1oc2ccccc2c1COc1ccccc1 ZINC000182512687 822276381 /nfs/dbraw/zinc/27/63/81/822276381.db2.gz OFRBMCGVRYIRJQ-UHFFFAOYSA-N 0 0 389.407 4.353 20 10 GICDRN CCCn1nc(C)c(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000178029249 822290266 /nfs/dbraw/zinc/29/02/66/822290266.db2.gz ZQKLKRIPBOUAQV-YBEGLDIGSA-N 0 0 375.494 4.455 20 10 GICDRN COc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cc1Br ZINC000045182846 822368414 /nfs/dbraw/zinc/36/84/14/822368414.db2.gz BWTGQDHCPNDGEP-GFCCVEGCSA-N 0 0 393.281 4.066 20 10 GICDRN C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCCCC2)cc1 ZINC000183041675 822416263 /nfs/dbraw/zinc/41/62/63/822416263.db2.gz KBQFSJOHHGBXAA-SFHVURJKSA-N 0 0 381.520 4.317 20 10 GICDRN C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000183042480 822416535 /nfs/dbraw/zinc/41/65/35/822416535.db2.gz ZJMOOCVOMCTNHD-KRWDZBQOSA-N 0 0 399.510 4.456 20 10 GICDRN O=C1/C(=C/c2ccc(-c3ccncc3)cc2F)SC(=S)N1Cc1ccon1 ZINC000178895149 822419891 /nfs/dbraw/zinc/41/98/91/822419891.db2.gz NXYBTIUOOUQUTN-YVLHZVERSA-N 0 0 397.456 4.277 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000045992206 822431728 /nfs/dbraw/zinc/43/17/28/822431728.db2.gz PMQCGLBFVMSAKL-UHFFFAOYSA-N 0 0 381.407 4.060 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1CC(F)(F)F ZINC000183165142 822434120 /nfs/dbraw/zinc/43/41/20/822434120.db2.gz OXJCTYATQSEUDA-UHFFFAOYSA-N 0 0 379.382 4.288 20 10 GICDRN C[C@@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000183195789 822439637 /nfs/dbraw/zinc/43/96/37/822439637.db2.gz AKPXEKAHTUQWFJ-IAGOWNOFSA-N 0 0 377.492 4.322 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(COCc2ccccc2)cc1 ZINC000046135280 822443574 /nfs/dbraw/zinc/44/35/74/822443574.db2.gz MGDAHQYEFTWXEE-UHFFFAOYSA-N 0 0 390.483 4.451 20 10 GICDRN CCCn1c(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2cc(OC)ccc21 ZINC000183446260 822476127 /nfs/dbraw/zinc/47/61/27/822476127.db2.gz QTOYFACYIAJHCV-AWEZNQCLSA-N 0 0 396.487 4.141 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000183468628 822479854 /nfs/dbraw/zinc/47/98/54/822479854.db2.gz DDMHTMZVHDXCKK-HNNXBMFYSA-N 0 0 388.423 4.123 20 10 GICDRN COC(=O)COc1ccc(N(C)Cc2nc3cc(C(F)(F)F)ccc3o2)cc1 ZINC000183803282 822529940 /nfs/dbraw/zinc/52/99/40/822529940.db2.gz FOKXSYAWPXUEPR-UHFFFAOYSA-N 0 0 394.349 4.035 20 10 GICDRN CN(Cc1ccccc1O)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000047136700 822547373 /nfs/dbraw/zinc/54/73/73/822547373.db2.gz SXABGLQYVZCBTQ-FQEVSTJZSA-N 0 0 394.446 4.493 20 10 GICDRN O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179767542 822548216 /nfs/dbraw/zinc/54/82/16/822548216.db2.gz XXWOHABXUDMGAE-UHFFFAOYSA-N 0 0 395.286 4.255 20 10 GICDRN CNC(=O)COc1ccc(N[C@H](C)c2ccc(N3CCCCCC3)cc2)cc1 ZINC000179827526 822560897 /nfs/dbraw/zinc/56/08/97/822560897.db2.gz IBRYZMLCRRFCGQ-GOSISDBHSA-N 0 0 381.520 4.365 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1[nH]c2ccccc2c1Br ZINC000047306674 822564066 /nfs/dbraw/zinc/56/40/66/822564066.db2.gz KLEJLIPCQHCKOG-UHFFFAOYSA-N 0 0 398.304 4.461 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc2ccccc21 ZINC000047324781 822566298 /nfs/dbraw/zinc/56/62/98/822566298.db2.gz BCSGQEAMQVPKDT-UHFFFAOYSA-N 0 0 389.499 4.370 20 10 GICDRN CC(C)(C)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000047325740 822566510 /nfs/dbraw/zinc/56/65/10/822566510.db2.gz GJMYUKATZOSHCG-UHFFFAOYSA-N 0 0 399.510 4.406 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000184031794 822567653 /nfs/dbraw/zinc/56/76/53/822567653.db2.gz KIBSLXJNJYJTRR-RBBKRZOGSA-N 0 0 379.504 4.006 20 10 GICDRN Cc1cc2occ(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2cc1C ZINC000184035013 822568217 /nfs/dbraw/zinc/56/82/17/822568217.db2.gz CPJLKNWFRMZMQZ-UHFFFAOYSA-N 0 0 378.472 4.158 20 10 GICDRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179939013 822580976 /nfs/dbraw/zinc/58/09/76/822580976.db2.gz HSLHMGDJLXYCMX-SFHVURJKSA-N 0 0 386.561 4.273 20 10 GICDRN Cc1cc(Br)cc(CNc2ccccc2N2CCC(O)CC2)c1O ZINC000180054237 822605263 /nfs/dbraw/zinc/60/52/63/822605263.db2.gz RTZONTTZIZJMPO-UHFFFAOYSA-N 0 0 391.309 4.036 20 10 GICDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1[O-] ZINC000180505242 822692617 /nfs/dbraw/zinc/69/26/17/822692617.db2.gz MLOWYTAIRBPHBO-UKRRQHHQSA-N 0 0 382.869 4.103 20 10 GICDRN C[C@@H]([NH2+]Cc1nccs1)c1cc(Br)cc(Br)c1[O-] ZINC000185087648 822735087 /nfs/dbraw/zinc/73/50/87/822735087.db2.gz TWQJPHPFIOZGMU-SSDOTTSWSA-N 0 0 392.116 4.225 20 10 GICDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000174292303 822764611 /nfs/dbraw/zinc/76/46/11/822764611.db2.gz HWICJGTXWJIGMO-UNMCSNQZSA-N 0 0 381.520 4.028 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000185387307 822776655 /nfs/dbraw/zinc/77/66/55/822776655.db2.gz QZQIWIPWGRZXCL-LBPRGKRZSA-N 0 0 385.851 4.073 20 10 GICDRN CCN(Cc1nnc(-c2ccccc2)o1)Cc1cc(Br)ccc1O ZINC000174423584 822788039 /nfs/dbraw/zinc/78/80/39/822788039.db2.gz DSCGJGYALINJAO-UHFFFAOYSA-N 0 0 388.265 4.227 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000174425257 822788274 /nfs/dbraw/zinc/78/82/74/822788274.db2.gz WEDQSEGMJUPZLE-VIFPVBQESA-N 0 0 383.217 4.185 20 10 GICDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000174447809 822790996 /nfs/dbraw/zinc/79/09/96/822790996.db2.gz JXKLPXLWLNJJLS-OAHLLOKOSA-N 0 0 386.565 4.299 20 10 GICDRN Cc1noc(C)c1CSCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396804 822797931 /nfs/dbraw/zinc/79/79/31/822797931.db2.gz LYHUNJLGDKXBOE-UHFFFAOYSA-N 0 0 387.549 4.174 20 10 GICDRN O=C(Cc1csc(Cc2ccccc2)n1)NCc1c(O)ccc2c1CCCC2 ZINC000174514800 822799568 /nfs/dbraw/zinc/79/95/68/822799568.db2.gz KVAYNCITCYJBOM-UHFFFAOYSA-N 0 0 392.524 4.177 20 10 GICDRN CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185684373 822809924 /nfs/dbraw/zinc/80/99/24/822809924.db2.gz SHTHCIWJTWPIAV-QMTHXVAHSA-N 0 0 397.292 4.194 20 10 GICDRN CCc1nc(CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)cs1 ZINC000174601734 822810793 /nfs/dbraw/zinc/81/07/93/822810793.db2.gz JJWKWZCBRVZUCJ-UHFFFAOYSA-N 0 0 387.549 4.498 20 10 GICDRN C[C@@H](NCc1cc(Br)ccc1O)c1nc(-c2cccc(F)c2)no1 ZINC000174668294 822821105 /nfs/dbraw/zinc/82/11/05/822821105.db2.gz FJAZVDWHHKBUKC-SNVBAGLBSA-N 0 0 392.228 4.195 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@]4(CCSC4)C3)ccc21 ZINC000456874336 822839662 /nfs/dbraw/zinc/83/96/62/822839662.db2.gz RLIBGZZJJWHTIB-QFIPXVFZSA-N 0 0 386.561 4.264 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000174900173 822852735 /nfs/dbraw/zinc/85/27/35/822852735.db2.gz UFBZMGAVBNNJOV-ROUUACIJSA-N 0 0 381.520 4.155 20 10 GICDRN CN(Cc1ccccc1O)C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000053914870 822852785 /nfs/dbraw/zinc/85/27/85/822852785.db2.gz ZMGQTNXIRJXZNP-UHFFFAOYSA-N 0 0 389.542 4.298 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000174917125 822855757 /nfs/dbraw/zinc/85/57/57/822855757.db2.gz QIVMIDXLTQGOPM-NSHDSACASA-N 0 0 398.326 4.212 20 10 GICDRN COc1ccc2oc(C)c(C(=O)NCc3ccc(N4CCSCC4)cc3)c2c1 ZINC000054037834 822860425 /nfs/dbraw/zinc/86/04/25/822860425.db2.gz HZDVZPKWTXOCBT-UHFFFAOYSA-N 0 0 396.512 4.233 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OCC ZINC000054063471 822860845 /nfs/dbraw/zinc/86/08/45/822860845.db2.gz DNORXLMKJYTWDJ-KRWDZBQOSA-N 0 0 399.535 4.453 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc3[nH]ccc32)cc1 ZINC000175079209 822878627 /nfs/dbraw/zinc/87/86/27/822878627.db2.gz NIXGKJAZQAOMEO-IBGZPJMESA-N 0 0 377.488 4.055 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1occc1CSc1ccccc1 ZINC000186375213 822884251 /nfs/dbraw/zinc/88/42/51/822884251.db2.gz AZKQKUSNKGYVCD-AWEZNQCLSA-N 0 0 383.469 4.344 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)ccc21 ZINC000569165448 822887097 /nfs/dbraw/zinc/88/70/97/822887097.db2.gz PDBDEMBWQFPQIF-FGZHOGPDSA-N 0 0 396.531 4.078 20 10 GICDRN CN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(Cl)cc3)c2)SC1=S ZINC000054486365 822890266 /nfs/dbraw/zinc/89/02/66/822890266.db2.gz AKYDSPKTOKMEAW-XNTDXEJSSA-N 0 0 388.901 4.423 20 10 GICDRN CCCS(=O)(=O)Nc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1C ZINC000186423373 822892235 /nfs/dbraw/zinc/89/22/35/822892235.db2.gz WXIHYZWPZWZOBE-CQSZACIVSA-N 0 0 378.494 4.034 20 10 GICDRN Cc1nccn1CCCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000175155387 822893670 /nfs/dbraw/zinc/89/36/70/822893670.db2.gz LUBWHLXMQGHWDG-UHFFFAOYSA-N 0 0 379.302 4.173 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000186443737 822896635 /nfs/dbraw/zinc/89/66/35/822896635.db2.gz WDVXDZKYJFWXGM-ZDUSSCGKSA-N 0 0 381.394 4.187 20 10 GICDRN O=C(c1cccc(C(F)(F)F)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000175225620 822908967 /nfs/dbraw/zinc/90/89/67/822908967.db2.gz QWAUUMBDORMFJW-AWEZNQCLSA-N 0 0 397.368 4.372 20 10 GICDRN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)on1 ZINC000054782251 822912416 /nfs/dbraw/zinc/91/24/16/822912416.db2.gz CQFGIIPQVAYNTD-UHFFFAOYSA-N 0 0 394.456 4.219 20 10 GICDRN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787347 822913488 /nfs/dbraw/zinc/91/34/88/822913488.db2.gz MPADZKWPIJHKFY-KRWDZBQOSA-N 0 0 393.487 4.172 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2csc(C)n2)cc1F ZINC000186627424 822925767 /nfs/dbraw/zinc/92/57/67/822925767.db2.gz ORMTVBLPZSUDRO-LJQANCHMSA-N 0 0 390.528 4.484 20 10 GICDRN O=C1/C(=C/c2csc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1F ZINC000055181699 822943931 /nfs/dbraw/zinc/94/39/31/822943931.db2.gz NSCBRGQQRWWZPY-JYOAFUTRSA-N 0 0 384.410 4.340 20 10 GICDRN COc1cc(C)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000186844187 822966220 /nfs/dbraw/zinc/96/62/20/822966220.db2.gz WKFSANUYAXGTNL-MRXNPFEDSA-N 0 0 388.439 4.061 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3cc4ccccc4o3)CC2)cc1 ZINC000175439936 822969768 /nfs/dbraw/zinc/96/97/68/822969768.db2.gz GSWKCRRVUHFYLD-UHFFFAOYSA-N 0 0 393.487 4.252 20 10 GICDRN CCO[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C12CCC2 ZINC000175665601 823015814 /nfs/dbraw/zinc/01/58/14/823015814.db2.gz NJYOVKRKUGKGSH-UXHICEINSA-N 0 0 384.476 4.045 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3ccc(OC(C)(C)C)cc3)CC2)cc1 ZINC000175746569 823031036 /nfs/dbraw/zinc/03/10/36/823031036.db2.gz CDMHKWJMBFIHAO-UHFFFAOYSA-N 0 0 382.504 4.271 20 10 GICDRN Cc1cc(C(=O)Nc2ccn(CC(F)(F)F)n2)c(C)n1-c1ccccc1C ZINC000124085569 823566270 /nfs/dbraw/zinc/56/62/70/823566270.db2.gz JIZIPCCPGBOCIA-UHFFFAOYSA-N 0 0 376.382 4.414 20 10 GICDRN CCN(C)c1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cn1 ZINC000190403195 823569704 /nfs/dbraw/zinc/56/97/04/823569704.db2.gz ZLCWOTGWAIXUOG-RVDMUPIBSA-N 0 0 389.571 4.043 20 10 GICDRN CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000061077416 823577343 /nfs/dbraw/zinc/57/73/43/823577343.db2.gz KAUIWKCBGVZXIY-UHFFFAOYSA-N 0 0 398.510 4.341 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000190479651 823579589 /nfs/dbraw/zinc/57/95/89/823579589.db2.gz IOKZJJBLGOJZFZ-UHFFFAOYSA-N 0 0 380.444 4.133 20 10 GICDRN O=C(Nc1cc(Cl)ccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124430828 823596154 /nfs/dbraw/zinc/59/61/54/823596154.db2.gz JIDFDISMVKQNRB-HNNXBMFYSA-N 0 0 378.831 4.398 20 10 GICDRN CC1CCN(c2cccc(NC(=O)c3cccc(NC(=O)N(C)C)c3)c2)CC1 ZINC000124528704 823603864 /nfs/dbraw/zinc/60/38/64/823603864.db2.gz RVLLVWCEGXTEIR-UHFFFAOYSA-N 0 0 380.492 4.269 20 10 GICDRN Cc1[nH]c2c(cccc2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000124737629 823622197 /nfs/dbraw/zinc/62/21/97/823622197.db2.gz RKPYWOXJUYRAHY-QGZVFWFLSA-N 0 0 377.488 4.112 20 10 GICDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(Cl)cc(Br)c1 ZINC000062273975 823627220 /nfs/dbraw/zinc/62/72/20/823627220.db2.gz YDMUVBLOMQFLKW-UHFFFAOYSA-N 0 0 395.684 4.191 20 10 GICDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1scnc1C1CC1 ZINC000124886304 823633802 /nfs/dbraw/zinc/63/38/02/823633802.db2.gz KHOOCRHDBNTJDL-UHFFFAOYSA-N 0 0 393.459 4.021 20 10 GICDRN O=C1O[C@@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC12CCC2 ZINC000190989071 823635453 /nfs/dbraw/zinc/63/54/53/823635453.db2.gz PTBNWVYPJJTUFG-ZWKOTPCHSA-N 0 0 398.528 4.307 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000191117750 823650935 /nfs/dbraw/zinc/65/09/35/823650935.db2.gz SUZIBUJURSMMSL-UHFFFAOYSA-N 0 0 391.515 4.065 20 10 GICDRN CCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000125092942 823651381 /nfs/dbraw/zinc/65/13/81/823651381.db2.gz ITHOSNKUMANPEJ-KRWDZBQOSA-N 0 0 388.439 4.143 20 10 GICDRN Cc1cc(C)c(Br)c(C(=O)NCCCSc2nccs2)c1 ZINC000125223342 823660262 /nfs/dbraw/zinc/66/02/62/823660262.db2.gz SBZFBFGNBODWBP-UHFFFAOYSA-N 0 0 385.352 4.435 20 10 GICDRN COc1ccc2c(c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CCC2 ZINC000191332130 823672957 /nfs/dbraw/zinc/67/29/57/823672957.db2.gz UEOMMISIQGMCHZ-GOSISDBHSA-N 0 0 396.487 4.103 20 10 GICDRN Cc1c(NCc2cccc(Br)c2O)cccc1C(=O)N1CCCC1 ZINC000125633586 823691849 /nfs/dbraw/zinc/69/18/49/823691849.db2.gz LCRYSDULWUEURT-UHFFFAOYSA-N 0 0 389.293 4.311 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1SC(C)C ZINC000125779955 823708559 /nfs/dbraw/zinc/70/85/59/823708559.db2.gz IGYOSUGJNBROKZ-UHFFFAOYSA-N 0 0 386.517 4.270 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1cccc(C(C)C)c1 ZINC000125898678 823739645 /nfs/dbraw/zinc/73/96/45/823739645.db2.gz ZESUMKOFOQQWOE-OAQYLSRUSA-N 0 0 391.519 4.323 20 10 GICDRN COCc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000125941413 823749603 /nfs/dbraw/zinc/74/96/03/823749603.db2.gz SVILIEZWZHPOCW-UHFFFAOYSA-N 0 0 381.520 4.165 20 10 GICDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCc3ccc(N(C)C)c(F)c3)nc2c1 ZINC000064229099 823775965 /nfs/dbraw/zinc/77/59/65/823775965.db2.gz LFRPYDGXDPLJLE-FQEVSTJZSA-N 0 0 395.482 4.123 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)c2ccc(N3CCOC3=O)cc2)s1 ZINC000164380605 823799564 /nfs/dbraw/zinc/79/95/64/823799564.db2.gz VPWSNQWHCHQEJS-UHFFFAOYSA-N 0 0 376.503 4.372 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000126166900 823803954 /nfs/dbraw/zinc/80/39/54/823803954.db2.gz ORMIHKWGEZGERB-GGAORHGYSA-N 0 0 391.515 4.030 20 10 GICDRN C=Cc1ccc(C(=O)Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)cc1 ZINC000192058691 823846779 /nfs/dbraw/zinc/84/67/79/823846779.db2.gz YAUPDCFCTXNAMJ-UHFFFAOYSA-N 0 0 385.467 4.074 20 10 GICDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc(F)c1F ZINC000165567238 823854304 /nfs/dbraw/zinc/85/43/04/823854304.db2.gz OAQVPOGTWIABOR-GDBMZVCRSA-N 0 0 390.430 4.122 20 10 GICDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cccc(F)c1F ZINC000165566989 823854391 /nfs/dbraw/zinc/85/43/91/823854391.db2.gz OAQVPOGTWIABOR-ZBFHGGJFSA-N 0 0 390.430 4.122 20 10 GICDRN O=C1O[C@@H](CN(Cc2cccs2)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000192098529 823859566 /nfs/dbraw/zinc/85/95/66/823859566.db2.gz GPNAFFBHNTVYJD-MRXNPFEDSA-N 0 0 385.485 4.012 20 10 GICDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1scnc1C1CC1 ZINC000126578748 823904114 /nfs/dbraw/zinc/90/41/14/823904114.db2.gz JEQOAGRCOZNOEQ-CYBMUJFWSA-N 0 0 393.459 4.021 20 10 GICDRN CCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 ZINC000126602605 823909125 /nfs/dbraw/zinc/90/91/25/823909125.db2.gz DANHFOGHMGTYIB-LJQANCHMSA-N 0 0 384.476 4.312 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(COC(C)C)cc3)CC2)cc1 ZINC000170668283 823930905 /nfs/dbraw/zinc/93/09/05/823930905.db2.gz GFZHMFKKOGSXPI-UHFFFAOYSA-N 0 0 397.519 4.411 20 10 GICDRN Cc1ccc(CN(Cc2nnc(C)n2C2CC2)c2ccc3c(c2)OCCO3)s1 ZINC000170726263 823955207 /nfs/dbraw/zinc/95/52/07/823955207.db2.gz IOSGURCLIICTNV-UHFFFAOYSA-N 0 0 396.516 4.269 20 10 GICDRN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 ZINC000170738392 823958123 /nfs/dbraw/zinc/95/81/23/823958123.db2.gz MVXYYRRAGSEALX-NTEUORMPSA-N 0 0 375.906 4.207 20 10 GICDRN CCCCS(=O)(=O)c1ccc(C(=O)N(CCC)Cc2ccccc2O)cc1 ZINC000192434111 823991954 /nfs/dbraw/zinc/99/19/54/823991954.db2.gz NYSLIUAEKJIJFN-UHFFFAOYSA-N 0 0 389.517 4.018 20 10 GICDRN CC1(C)CCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000170867757 823994237 /nfs/dbraw/zinc/99/42/37/823994237.db2.gz JFIONDLIWUYPST-OWBHPGMISA-N 0 0 394.587 4.131 20 10 GICDRN Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000171009449 824036415 /nfs/dbraw/zinc/03/64/15/824036415.db2.gz HNJYGAYGWNORKF-IFMALSPDSA-N 0 0 375.472 4.139 20 10 GICDRN CCCc1nc([C@H](NCc2cc(Cl)cc(OC)c2O)c2ccccc2)no1 ZINC000359955334 209205293 /nfs/dbraw/zinc/20/52/93/209205293.db2.gz BGRZDLUBRFNUAR-GOSISDBHSA-N 0 0 387.867 4.269 20 10 GICDRN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1ccccc1C ZINC000120767962 823060271 /nfs/dbraw/zinc/06/02/71/823060271.db2.gz MXBHCLKYSHLLQL-UHFFFAOYSA-N 0 0 379.485 4.175 20 10 GICDRN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000120769824 823060594 /nfs/dbraw/zinc/06/05/94/823060594.db2.gz PVZAURIPELHZBG-UHFFFAOYSA-N 0 0 397.475 4.314 20 10 GICDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000120846896 823075557 /nfs/dbraw/zinc/07/55/57/823075557.db2.gz PZQIPGVQDADZFL-HSZRJFAPSA-N 0 0 395.547 4.092 20 10 GICDRN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cc2ccccc2o1 ZINC000176105572 823122183 /nfs/dbraw/zinc/12/21/83/823122183.db2.gz SEYUJMOSIIAHMK-INIZCTEOSA-N 0 0 380.513 4.406 20 10 GICDRN COCCCOc1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000176275585 823169793 /nfs/dbraw/zinc/16/97/93/823169793.db2.gz CHVYPMXJHUDGAA-UHFFFAOYSA-N 0 0 379.460 4.157 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000056619670 823182510 /nfs/dbraw/zinc/18/25/10/823182510.db2.gz SUHILDZZUBOAGY-UHFFFAOYSA-N 0 0 377.847 4.232 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000188363889 823226562 /nfs/dbraw/zinc/22/65/62/823226562.db2.gz NLBDHLKXOJFCGH-MRXNPFEDSA-N 0 0 393.487 4.471 20 10 GICDRN COc1ccc(CN2C(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1 ZINC000002225199 817380038 /nfs/dbraw/zinc/38/00/38/817380038.db2.gz JQKQNEODIJTSSE-OTGIAGGSSA-N 0 0 397.521 4.420 20 10 GICDRN COc1ccc(N(C)CC(=O)N(C)c2nc3ccccc3s2)cc1Cl ZINC000121849054 823262377 /nfs/dbraw/zinc/26/23/77/823262377.db2.gz YNKIYUARGITOAB-UHFFFAOYSA-N 0 0 375.881 4.058 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(C(F)(F)F)cc2C)c1 ZINC000188593222 823268719 /nfs/dbraw/zinc/26/87/19/823268719.db2.gz RPZKMDRPOMCLGI-LBPRGKRZSA-N 0 0 382.382 4.288 20 10 GICDRN Cc1ccc(Nc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)cc1C ZINC000005624032 817601407 /nfs/dbraw/zinc/60/14/07/817601407.db2.gz FXOOPHJRXHJVMP-UHFFFAOYSA-N 0 0 387.486 4.285 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176730751 823279880 /nfs/dbraw/zinc/27/98/80/823279880.db2.gz DEPDXNWFKRXMIN-INIZCTEOSA-N 0 0 384.480 4.262 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2ccccc2Br)cc1Cl ZINC000121937775 823280703 /nfs/dbraw/zinc/28/07/03/823280703.db2.gz KEFKGTUEQWMJKV-UHFFFAOYSA-N 0 0 383.673 4.186 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(C#N)cc2)cc1 ZINC000007105461 817760592 /nfs/dbraw/zinc/76/05/92/817760592.db2.gz UTISXKSRCANBJX-UHFFFAOYSA-N 0 0 385.467 4.480 20 10 GICDRN CN(C)c1ccc(CNC(=O)CN(Cc2cccs2)Cc2cccs2)cc1 ZINC000007245249 817802659 /nfs/dbraw/zinc/80/26/59/817802659.db2.gz OWGYNTIXPZTTSV-UHFFFAOYSA-N 0 0 399.585 4.194 20 10 GICDRN COc1ccc(N2CCN(Cc3nc(-c4ccsc4)oc3C)CC2)cc1F ZINC000121992039 823290040 /nfs/dbraw/zinc/29/00/40/823290040.db2.gz NVIIIPNSXSAGMK-UHFFFAOYSA-N 0 0 387.480 4.181 20 10 GICDRN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000007372648 817826602 /nfs/dbraw/zinc/82/66/02/817826602.db2.gz LEVXZMAVUFCSAJ-UHFFFAOYSA-N 0 0 390.867 4.495 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007404441 817832038 /nfs/dbraw/zinc/83/20/38/817832038.db2.gz PCHBQFPIHIHCDV-UHFFFAOYSA-N 0 0 384.505 4.414 20 10 GICDRN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176810125 823298806 /nfs/dbraw/zinc/29/88/06/823298806.db2.gz PPJFDHVIZUWBIL-DYESRHJHSA-N 0 0 386.492 4.148 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000010962149 818035057 /nfs/dbraw/zinc/03/50/57/818035057.db2.gz KULSJNLDGIJHAK-UHFFFAOYSA-N 0 0 391.515 4.298 20 10 GICDRN COc1ccc([C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000057567006 823310704 /nfs/dbraw/zinc/31/07/04/823310704.db2.gz YQWPXJREJLHXRE-JOCHJYFZSA-N 0 0 379.504 4.246 20 10 GICDRN CCNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000015022587 818283678 /nfs/dbraw/zinc/28/36/78/818283678.db2.gz CIXRKTKHWPRDKW-UHFFFAOYSA-N 0 0 375.472 4.405 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015620557 818349175 /nfs/dbraw/zinc/34/91/75/818349175.db2.gz ZUDLNNPIRFZHJP-UHFFFAOYSA-N 0 0 389.499 4.388 20 10 GICDRN C[C@@H](C(=O)NCCCSc1nccs1)c1ccc(Br)cc1 ZINC000122295169 823333903 /nfs/dbraw/zinc/33/39/03/823333903.db2.gz NONCFPZAWGZCRH-LLVKDONJSA-N 0 0 385.352 4.308 20 10 GICDRN CCc1cccc(CC)c1NC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000018945362 818582127 /nfs/dbraw/zinc/58/21/27/818582127.db2.gz MEWSIENIWURKON-UHFFFAOYSA-N 0 0 397.588 4.477 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1[nH]nc2c1CCCC2 ZINC000189071529 823352405 /nfs/dbraw/zinc/35/24/05/823352405.db2.gz INVVZLOPVQDKOC-QGZVFWFLSA-N 0 0 389.499 4.327 20 10 GICDRN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000177057461 823361034 /nfs/dbraw/zinc/36/10/34/823361034.db2.gz ZRXKTLKSRBZZSF-LJQANCHMSA-N 0 0 393.314 4.334 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000122530486 823367760 /nfs/dbraw/zinc/36/77/60/823367760.db2.gz HNYZITVTHIKNOR-UHFFFAOYSA-N 0 0 387.357 4.155 20 10 GICDRN Cc1cccc(-c2nc(CC(=O)N(C)Cc3ccc(N(C)C)cc3)cs2)c1 ZINC000023744857 818978661 /nfs/dbraw/zinc/97/86/61/818978661.db2.gz CVUYYCONOWUODZ-UHFFFAOYSA-N 0 0 379.529 4.386 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3cncc(-c4ccccc4)c3)CC2)cc1 ZINC000177207668 823399463 /nfs/dbraw/zinc/39/94/63/823399463.db2.gz UQAJQZXEMGAGOO-UHFFFAOYSA-N 0 0 387.483 4.110 20 10 GICDRN Cc1ccc(F)cc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446303 823418477 /nfs/dbraw/zinc/41/84/77/823418477.db2.gz CNFSQYXZXUPBKH-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1cc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccn1 ZINC000177283469 823420682 /nfs/dbraw/zinc/42/06/82/823420682.db2.gz KJHUWCOEPFYMDQ-WVDZOPJMSA-N 0 0 395.528 4.060 20 10 GICDRN COc1ccc(-n2ccn(CN(C)Cc3ccc(N(C)C)cc3)c2=S)cc1 ZINC000024980543 819903592 /nfs/dbraw/zinc/90/35/92/819903592.db2.gz BHBMFHPRXIHZDG-UHFFFAOYSA-N 0 0 382.533 4.172 20 10 GICDRN CCO[C@@H](C)c1nc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)cs1 ZINC000177347682 823441872 /nfs/dbraw/zinc/44/18/72/823441872.db2.gz OOZXGZIPJAHPMO-LBPRGKRZSA-N 0 0 382.913 4.434 20 10 GICDRN CN1CCCc2cc(CNC(=O)c3ccccc3OCc3cscn3)ccc21 ZINC000058769965 823448096 /nfs/dbraw/zinc/44/80/96/823448096.db2.gz HVUZSVNSSDMYJK-UHFFFAOYSA-N 0 0 393.512 4.035 20 10 GICDRN Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccc(C)cc1 ZINC000026018087 820049404 /nfs/dbraw/zinc/04/94/04/820049404.db2.gz JYPNDOHDOGPZKZ-UHFFFAOYSA-N 0 0 377.469 4.057 20 10 GICDRN CCCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028046689 820308055 /nfs/dbraw/zinc/30/80/55/820308055.db2.gz AZPDBUBQIUPSGM-UHFFFAOYSA-N 0 0 394.515 4.355 20 10 GICDRN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028305168 820323915 /nfs/dbraw/zinc/32/39/15/820323915.db2.gz HVBWNZHQLLAEIU-UHFFFAOYSA-N 0 0 396.922 4.231 20 10 GICDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000028494790 820340289 /nfs/dbraw/zinc/34/02/89/820340289.db2.gz VVDUVVYJKSBWBH-UHFFFAOYSA-N 0 0 387.549 4.379 20 10 GICDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NC1CCCCC1 ZINC000029071718 820389433 /nfs/dbraw/zinc/38/94/33/820389433.db2.gz DCQPMJQLUQQDQC-LJQANCHMSA-N 0 0 399.560 4.270 20 10 GICDRN C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123200428 823477652 /nfs/dbraw/zinc/47/76/52/823477652.db2.gz XTVGXMQLJMDDFB-IAGOWNOFSA-N 0 0 386.923 4.233 20 10 GICDRN O=C(NCc1cc2ccccc2o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123203475 823478322 /nfs/dbraw/zinc/47/83/22/823478322.db2.gz QMQHLOGCXZTWHV-GOSISDBHSA-N 0 0 380.444 4.029 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123252983 823485589 /nfs/dbraw/zinc/48/55/89/823485589.db2.gz KBCWUNWVAFYMER-CABCVRRESA-N 0 0 394.475 4.016 20 10 GICDRN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccc(F)cc1 ZINC000029891515 820540388 /nfs/dbraw/zinc/54/03/88/820540388.db2.gz GNRDYFFIGHPRRR-UHFFFAOYSA-N 0 0 379.391 4.344 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1c1ccc(F)cc1 ZINC000123395328 823505347 /nfs/dbraw/zinc/50/53/47/823505347.db2.gz RYNBBOXXFWAYPK-WJDWOHSUSA-N 0 0 385.489 4.227 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(N)n2C2CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000031454466 820813520 /nfs/dbraw/zinc/81/35/20/820813520.db2.gz QJJAFFIPMJYDPQ-UHFFFAOYSA-N 0 0 399.495 4.025 20 10 GICDRN Cc1cc(C(=O)N(C)Cc2ccc([S@](C)=O)cc2)c(C)n1-c1ccc(F)cc1 ZINC000177666478 823510803 /nfs/dbraw/zinc/51/08/03/823510803.db2.gz QMUDBYCGHORFRU-NDEPHWFRSA-N 0 0 398.503 4.243 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000177667606 823510962 /nfs/dbraw/zinc/51/09/62/823510962.db2.gz XVBMWEAYKLTIPG-MHZLTWQESA-N 0 0 380.513 4.104 20 10 GICDRN CCOc1ccc(O)c(CNc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 ZINC000123519805 823516735 /nfs/dbraw/zinc/51/67/35/823516735.db2.gz FVRLNROOXBFZRV-UHFFFAOYSA-N 0 0 397.519 4.136 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(C)c1OCc1cccnc1 ZINC000033220954 821050168 /nfs/dbraw/zinc/05/01/68/821050168.db2.gz PQJPEWIFLSDYGA-UHFFFAOYSA-N 0 0 389.499 4.273 20 10 GICDRN CCN1C(=O)/C(=C\c2cc(C)c(OCc3ccccn3)c(C)c2)SC1=S ZINC000036832213 821086659 /nfs/dbraw/zinc/08/66/59/821086659.db2.gz DICILZGOAFMBCP-GZTJUZNOSA-N 0 0 384.526 4.499 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCOc2c(F)cccc21 ZINC000180681660 821394088 /nfs/dbraw/zinc/39/40/88/821394088.db2.gz KARJXCLYAQHXOY-FQEVSTJZSA-N 0 0 383.467 4.139 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000180790633 821459846 /nfs/dbraw/zinc/45/98/46/821459846.db2.gz SPRKLEOBTSUKQB-LNMUWQJVSA-N 0 0 399.512 4.331 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccccc1C ZINC000044029905 821506981 /nfs/dbraw/zinc/50/69/81/821506981.db2.gz IXAXSOKVRYXMAX-UHFFFAOYSA-N 0 0 380.517 4.383 20 10 GICDRN COc1ccc(O)c(CNc2cccc(C[S@](=O)Cc3ccccc3)c2)c1 ZINC000181060232 821614315 /nfs/dbraw/zinc/61/43/15/821614315.db2.gz VFHLQJJVCZZFPG-HHHXNRCGSA-N 0 0 381.497 4.462 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181114437 821641605 /nfs/dbraw/zinc/64/16/05/821641605.db2.gz IGWSHXJPYILVRJ-UHFFFAOYSA-N 0 0 385.418 4.422 20 10 GICDRN Cc1nc(Br)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000181308633 821747875 /nfs/dbraw/zinc/74/78/75/821747875.db2.gz ODSZNGDMMXUTFK-UHFFFAOYSA-N 0 0 389.297 4.074 20 10 GICDRN Cc1csc(=O)n1CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181584338 821889630 /nfs/dbraw/zinc/88/96/30/821889630.db2.gz DLQYSEDQRSDPGH-QGZVFWFLSA-N 0 0 396.512 4.104 20 10 GICDRN c1ccc2c(c1)C[C@@H](c1nnc(NCc3ccc(N4CCCCC4)cc3)o1)O2 ZINC000181749624 821975378 /nfs/dbraw/zinc/97/53/78/821975378.db2.gz QYLFGUGPIOSKMF-FQEVSTJZSA-N 0 0 376.460 4.348 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c(O)c1O ZINC000182148220 822117834 /nfs/dbraw/zinc/11/78/34/822117834.db2.gz NDYBXBAUSSQMSI-UHFFFAOYSA-N 0 0 376.412 4.219 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000182202385 822144814 /nfs/dbraw/zinc/14/48/14/822144814.db2.gz NQHNSQMFZQEJND-ZDUSSCGKSA-N 0 0 397.441 4.310 20 10 GICDRN CC[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(N(C)C)cc1 ZINC000182397468 822228900 /nfs/dbraw/zinc/22/89/00/822228900.db2.gz HLMHXGYNMMUCLK-JOCHJYFZSA-N 0 0 378.520 4.149 20 10 GICDRN O=C1/C(=C\c2ccc(N3CCCCC3)cc2)SC(=S)N1Cc1ccon1 ZINC000178017690 822283911 /nfs/dbraw/zinc/28/39/11/822283911.db2.gz PTAHAZAYJCLAQB-SFQUDFHCSA-N 0 0 385.514 4.066 20 10 GICDRN CN(C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)C1CCCC1 ZINC000045220981 822371126 /nfs/dbraw/zinc/37/11/26/822371126.db2.gz AWPRWCGVWCBPLW-QINSGFPZSA-N 0 0 394.587 4.131 20 10 GICDRN C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000182836193 822375431 /nfs/dbraw/zinc/37/54/31/822375431.db2.gz STQOAILWASGMDP-GOSISDBHSA-N 0 0 399.560 4.390 20 10 GICDRN CCCS(=O)(=O)Nc1cccc(N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000182929294 822394815 /nfs/dbraw/zinc/39/48/15/822394815.db2.gz GUSNDSVGGCSFDQ-INIZCTEOSA-N 0 0 375.538 4.386 20 10 GICDRN Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1-c1ncco1 ZINC000183235280 822445721 /nfs/dbraw/zinc/44/57/21/822445721.db2.gz XVHKQMSUSLYDQO-UHFFFAOYSA-N 0 0 378.432 4.147 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000183453091 822477243 /nfs/dbraw/zinc/47/72/43/822477243.db2.gz RWHLRKJGXPPRMB-LBPRGKRZSA-N 0 0 380.419 4.024 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000046611591 822492001 /nfs/dbraw/zinc/49/20/01/822492001.db2.gz ZFRLPLUYGKFAII-AWEZNQCLSA-N 0 0 377.435 4.257 20 10 GICDRN Cc1ccc(-c2nc(CC(=O)NCc3ccc(N4CCCC4)cc3)cs2)o1 ZINC000046686415 822505294 /nfs/dbraw/zinc/50/52/94/822505294.db2.gz JDYKMOVIQGATOG-UHFFFAOYSA-N 0 0 381.501 4.171 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179635907 822517010 /nfs/dbraw/zinc/51/70/10/822517010.db2.gz QOAHLIXSUXLQTD-UHFFFAOYSA-N 0 0 390.439 4.064 20 10 GICDRN CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000183756816 822523269 /nfs/dbraw/zinc/52/32/69/822523269.db2.gz LSLFYZVKMFENFC-FPOVZHCZSA-N 0 0 375.557 4.268 20 10 GICDRN Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000047023022 822538156 /nfs/dbraw/zinc/53/81/56/822538156.db2.gz UWUWZBZLHVLDHH-UHFFFAOYSA-N 0 0 393.462 4.496 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(Br)cs1 ZINC000047041346 822539542 /nfs/dbraw/zinc/53/95/42/822539542.db2.gz AOOLDFOREIZEPA-UHFFFAOYSA-N 0 0 396.354 4.308 20 10 GICDRN CNC(=O)COc1ccc(N[C@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000179824179 822560451 /nfs/dbraw/zinc/56/04/51/822560451.db2.gz LNTYJFHZEGPVIA-MRXNPFEDSA-N 0 0 385.483 4.114 20 10 GICDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)c1Cl ZINC000047293738 822562815 /nfs/dbraw/zinc/56/28/15/822562815.db2.gz MIXHTOVPHLNMON-UHFFFAOYSA-N 0 0 397.277 4.024 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000184032181 822567846 /nfs/dbraw/zinc/56/78/46/822567846.db2.gz OJHCGHRQPKQHIV-IFMALSPDSA-N 0 0 381.520 4.252 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3nc(C)oc3-c3ccccc3)CC2)cc1 ZINC000184136830 822584320 /nfs/dbraw/zinc/58/43/20/822584320.db2.gz VTSCULGHUCFXAK-UHFFFAOYSA-N 0 0 391.471 4.011 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 ZINC000047553276 822590202 /nfs/dbraw/zinc/59/02/02/822590202.db2.gz MILFUWCZLWHNRW-UHFFFAOYSA-N 0 0 375.350 4.054 20 10 GICDRN Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000184188792 822593086 /nfs/dbraw/zinc/59/30/86/822593086.db2.gz SZXAGOGETCYKBS-UHFFFAOYSA-N 0 0 391.519 4.382 20 10 GICDRN C[S@](=O)Cc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000184319164 822614139 /nfs/dbraw/zinc/61/41/39/822614139.db2.gz IWYFJYBDLRIFFT-NDEPHWFRSA-N 0 0 398.484 4.098 20 10 GICDRN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000048100565 822632388 /nfs/dbraw/zinc/63/23/88/822632388.db2.gz RBOWCPPTLRGBNH-UHFFFAOYSA-N 0 0 395.503 4.237 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180296604 822658415 /nfs/dbraw/zinc/65/84/15/822658415.db2.gz XZHKYEYUPKPZML-UHFFFAOYSA-N 0 0 378.520 4.333 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000180428292 822680050 /nfs/dbraw/zinc/68/00/50/822680050.db2.gz JZWBQRMGLDPHSJ-FQEVSTJZSA-N 0 0 383.467 4.139 20 10 GICDRN Cc1ccc(C(=O)CCCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000184790473 822691424 /nfs/dbraw/zinc/69/14/24/822691424.db2.gz XFAQWFCHGQCBSM-NRFANRHFSA-N 0 0 395.499 4.261 20 10 GICDRN COc1cc(C)c([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000049298229 822697067 /nfs/dbraw/zinc/69/70/67/822697067.db2.gz NNMMHIRHXJRJJB-KRWDZBQOSA-N 0 0 397.519 4.173 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000180597044 822708338 /nfs/dbraw/zinc/70/83/38/822708338.db2.gz BXYOGBKHCLQXCC-SOFGYWHQSA-N 0 0 380.469 4.127 20 10 GICDRN Cc1nnc([C@@H](N[C@@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324844 822766243 /nfs/dbraw/zinc/76/62/43/822766243.db2.gz HQVOFQZZLRXAOL-GTNSWQLSSA-N 0 0 387.281 4.021 20 10 GICDRN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ccc(F)cc2C1 ZINC000185355912 822770358 /nfs/dbraw/zinc/77/03/58/822770358.db2.gz UBOUOHYSQHLEDF-GOSISDBHSA-N 0 0 397.277 4.421 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185424259 822781975 /nfs/dbraw/zinc/78/19/75/822781975.db2.gz QGSBSWVPQYWHRE-IBGZPJMESA-N 0 0 387.842 4.000 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nc(C2CCCCC2)no1 ZINC000174447707 822790999 /nfs/dbraw/zinc/79/09/99/822790999.db2.gz WIDDIZSMIJNPEZ-OAHLLOKOSA-N 0 0 397.523 4.060 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1=CCCCCC1 ZINC000185670811 822808626 /nfs/dbraw/zinc/80/86/26/822808626.db2.gz GSRAXKULKSFHMT-UHFFFAOYSA-N 0 0 382.426 4.049 20 10 GICDRN O=C(NCc1ccc(C(F)F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000185704214 822812115 /nfs/dbraw/zinc/81/21/15/822812115.db2.gz RERLIDRTTBHIKV-GOSISDBHSA-N 0 0 390.430 4.221 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000174701948 822825507 /nfs/dbraw/zinc/82/55/07/822825507.db2.gz IJLJWQRBZMGZLX-UHFFFAOYSA-N 0 0 381.476 4.072 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@]4(CCSC4)C3)ccc21 ZINC000456874335 822839650 /nfs/dbraw/zinc/83/96/50/822839650.db2.gz RLIBGZZJJWHTIB-JOCHJYFZSA-N 0 0 386.561 4.264 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000174900124 822852736 /nfs/dbraw/zinc/85/27/36/822852736.db2.gz UFBZMGAVBNNJOV-QZTJIDSGSA-N 0 0 381.520 4.155 20 10 GICDRN COc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC(C)C ZINC000186255712 822865687 /nfs/dbraw/zinc/86/56/87/822865687.db2.gz QRSZDULTZLBPDG-UHFFFAOYSA-N 0 0 381.476 4.180 20 10 GICDRN COc1ccc(-c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c(F)c2)cc1 ZINC000186414776 822890720 /nfs/dbraw/zinc/89/07/20/822890720.db2.gz GLVLHBJFKAJRSR-AWEZNQCLSA-N 0 0 395.430 4.274 20 10 GICDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000175143013 822890982 /nfs/dbraw/zinc/89/09/82/822890982.db2.gz NJHGVHDYCBHFMZ-CQSZACIVSA-N 0 0 378.925 4.000 20 10 GICDRN COc1cc(Br)cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1O ZINC000054682675 822906130 /nfs/dbraw/zinc/90/61/30/822906130.db2.gz ALUFTVCDQRTBHA-OAHLLOKOSA-N 0 0 397.656 4.013 20 10 GICDRN C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787348 822913402 /nfs/dbraw/zinc/91/34/02/822913402.db2.gz MPADZKWPIJHKFY-QGZVFWFLSA-N 0 0 393.487 4.172 20 10 GICDRN CC(C)(C)c1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847809 822918057 /nfs/dbraw/zinc/91/80/57/822918057.db2.gz OBQDINWTUUUNPG-GOSISDBHSA-N 0 0 393.593 4.139 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000055047074 822934451 /nfs/dbraw/zinc/93/44/51/822934451.db2.gz QQOKWVOFVNQUAE-UHFFFAOYSA-N 0 0 377.435 4.086 20 10 GICDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2F)C[C@@H](C)O1 ZINC000055529526 822975155 /nfs/dbraw/zinc/97/51/55/822975155.db2.gz OMSBHBJTESGKIK-HUUCEWRRSA-N 0 0 382.435 4.116 20 10 GICDRN O=C(CCc1ccc2ccccc2c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055529301 822975167 /nfs/dbraw/zinc/97/51/67/822975167.db2.gz SERHFFBVZYSEAE-UHFFFAOYSA-N 0 0 392.474 4.065 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)s1 ZINC000055530729 822975336 /nfs/dbraw/zinc/97/53/36/822975336.db2.gz HHCLLDMBMPFXNC-CHWSQXEVSA-N 0 0 376.497 4.048 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186921235 822980376 /nfs/dbraw/zinc/98/03/76/822980376.db2.gz HLAGWZCITZKBGW-LJQANCHMSA-N 0 0 389.421 4.208 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000175506626 822985800 /nfs/dbraw/zinc/98/58/00/822985800.db2.gz UMWFOSVYEDEPEE-UHFFFAOYSA-N 0 0 389.883 4.238 20 10 GICDRN CCCC(=O)Nc1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000175545222 822994487 /nfs/dbraw/zinc/99/44/87/822994487.db2.gz HMZDTONADOTJQW-UHFFFAOYSA-N 0 0 395.503 4.009 20 10 GICDRN COc1ccc([C@H](C)CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000175616455 823007137 /nfs/dbraw/zinc/00/71/37/823007137.db2.gz UIRQHVYPSPIGRB-QGZVFWFLSA-N 0 0 384.545 4.058 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000175637910 823010983 /nfs/dbraw/zinc/01/09/83/823010983.db2.gz CNIBQINTQHPHQI-JTSKRJEESA-N 0 0 397.494 4.098 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H]1c1ccccc1 ZINC000175675910 823017973 /nfs/dbraw/zinc/01/79/73/823017973.db2.gz SLZATENHTXTDFB-DYESRHJHSA-N 0 0 381.545 4.142 20 10 GICDRN O=C1/C(=C/c2ccc(N3CCCC3)nc2)SC(=S)N1CCc1ccccc1 ZINC000123902665 823550335 /nfs/dbraw/zinc/55/03/35/823550335.db2.gz GLSMRCKJIYGOCE-JXAWBTAJSA-N 0 0 395.553 4.126 20 10 GICDRN O=C(Cc1cc(-c2ccccc2)on1)N(Cc1ccco1)Cc1ccccc1O ZINC000124017956 823560318 /nfs/dbraw/zinc/56/03/18/823560318.db2.gz WOGQQXPFZVYXNW-UHFFFAOYSA-N 0 0 388.423 4.412 20 10 GICDRN COc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000124110211 823568436 /nfs/dbraw/zinc/56/84/36/823568436.db2.gz ORKNLURSBQXABJ-INIZCTEOSA-N 0 0 390.867 4.267 20 10 GICDRN CCn1cc(N2C(=O)/C(=C/c3ccc(OCC4CC4)cc3)SC2=S)cn1 ZINC000190401132 823569501 /nfs/dbraw/zinc/56/95/01/823569501.db2.gz ZNOZTZXFMQCPIO-MFOYZWKCSA-N 0 0 385.514 4.098 20 10 GICDRN COc1ccc(N2CCC(N[C@H](C)c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000124369557 823590780 /nfs/dbraw/zinc/59/07/80/823590780.db2.gz DMRBJZNYBNCWGQ-MRXNPFEDSA-N 0 0 378.476 4.065 20 10 GICDRN C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000124524820 823603607 /nfs/dbraw/zinc/60/36/07/823603607.db2.gz UJJWFBXSGBGWOC-LJQANCHMSA-N 0 0 378.516 4.113 20 10 GICDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c1[O-] ZINC000124715455 823620330 /nfs/dbraw/zinc/62/03/30/823620330.db2.gz VQODGXFHMNHHTM-UHFFFAOYSA-N 0 0 398.793 4.028 20 10 GICDRN Cc1nc(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)cs1 ZINC000190927372 823625804 /nfs/dbraw/zinc/62/58/04/823625804.db2.gz POMPEKIOEMTWJM-GFCCVEGCSA-N 0 0 383.473 4.282 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000190965998 823631818 /nfs/dbraw/zinc/63/18/18/823631818.db2.gz BYVPLHHWZKDARP-OAHLLOKOSA-N 0 0 384.476 4.310 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000190967478 823631986 /nfs/dbraw/zinc/63/19/86/823631986.db2.gz WZROTEHVYLKRCM-INIZCTEOSA-N 0 0 383.492 4.231 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000190986317 823634787 /nfs/dbraw/zinc/63/47/87/823634787.db2.gz VRUACMMQVRMLCZ-LLVKDONJSA-N 0 0 394.418 4.306 20 10 GICDRN O=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125311634 823667077 /nfs/dbraw/zinc/66/70/77/823667077.db2.gz NKAYAIXYUXDXIA-UHFFFAOYSA-N 0 0 391.402 4.153 20 10 GICDRN CN(Cc1nc2ccccc2s1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000125421033 823674859 /nfs/dbraw/zinc/67/48/59/823674859.db2.gz MFTJHHGSXUWOEK-UHFFFAOYSA-N 0 0 380.517 4.020 20 10 GICDRN O=C(NCc1ccc(C2CC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000191584546 823704432 /nfs/dbraw/zinc/70/44/32/823704432.db2.gz RHNKAJOIIGTEMW-OAQYLSRUSA-N 0 0 380.488 4.160 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125789228 823711208 /nfs/dbraw/zinc/71/12/08/823711208.db2.gz YFPPTLWDBHUTRC-UHFFFAOYSA-N 0 0 381.259 4.076 20 10 GICDRN C/C(=C\c1cccc(Cl)c1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125803473 823714845 /nfs/dbraw/zinc/71/48/45/823714845.db2.gz MHFDRGZDUCHUSP-SAPNQHFASA-N 0 0 384.907 4.239 20 10 GICDRN O=C(CCCc1csc2ccccc12)NCc1ccc(N2CCOCC2)cc1 ZINC000125806268 823715722 /nfs/dbraw/zinc/71/57/22/823715722.db2.gz DTNRUWLONMONOE-UHFFFAOYSA-N 0 0 394.540 4.377 20 10 GICDRN Cc1cc(F)ccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164305684 823794826 /nfs/dbraw/zinc/79/48/26/823794826.db2.gz XJGRVTMMYAXJDV-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1F ZINC000164313385 823795133 /nfs/dbraw/zinc/79/51/33/823795133.db2.gz BNFIXESDSCXMCM-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN C[C@H](SCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000126379450 823852591 /nfs/dbraw/zinc/85/25/91/823852591.db2.gz FPRNIIAAZWCYCM-HNNXBMFYSA-N 0 0 382.533 4.082 20 10 GICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(C2N=NC(=S)O2)cc1 ZINC000126397614 823856515 /nfs/dbraw/zinc/85/65/15/823856515.db2.gz KHIDGNHTXCSPBP-UHFFFAOYSA-N 0 0 380.473 4.268 20 10 GICDRN CC(C)(C)OCc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000126467453 823875839 /nfs/dbraw/zinc/87/58/39/823875839.db2.gz ZUURLSNUYHQPCY-UHFFFAOYSA-N 0 0 393.531 4.377 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170682619 823937242 /nfs/dbraw/zinc/93/72/42/823937242.db2.gz XXIMJOTZMTYGDK-VXKWHMMOSA-N 0 0 379.504 4.006 20 10 GICDRN COc1ccc(N2C(=O)/C(=C/c3cccnc3C)SC2=S)cc1Cl ZINC000170903699 824003760 /nfs/dbraw/zinc/00/37/60/824003760.db2.gz LUGNENAJEYKDQK-NVNXTCNLSA-N 0 0 376.890 4.458 20 10 GICDRN CCCNc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000192576554 824036309 /nfs/dbraw/zinc/03/63/09/824036309.db2.gz OLCVCNONKUFACJ-NRFANRHFSA-N 0 0 397.519 4.105 20 10 GICDRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC)C3=O)o2)cc1 ZINC000001082562 209298518 /nfs/dbraw/zinc/29/85/18/209298518.db2.gz AWCFLJSEWFNWDU-WJDWOHSUSA-N 0 0 387.482 4.344 20 10 GICDRN CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCCC4)cc3)c21 ZINC000187365975 823050484 /nfs/dbraw/zinc/05/04/84/823050484.db2.gz KJWOOWVFCGCREA-UHFFFAOYSA-N 0 0 377.488 4.026 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000175906076 823068913 /nfs/dbraw/zinc/06/89/13/823068913.db2.gz IMGDVXGEKUDASK-WMZHIEFXSA-N 0 0 394.515 4.238 20 10 GICDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000120814677 823069455 /nfs/dbraw/zinc/06/94/55/823069455.db2.gz HEBTTXMLRVSERC-UHFFFAOYSA-N 0 0 386.791 4.389 20 10 GICDRN Cc1ccc2c(CC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)coc2c1 ZINC000120829894 823072915 /nfs/dbraw/zinc/07/29/15/823072915.db2.gz JJOFZLNVJWCBOB-IBGZPJMESA-N 0 0 379.456 4.197 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCSc1ccccn1 ZINC000120999139 823100138 /nfs/dbraw/zinc/10/01/38/823100138.db2.gz GMAKUBRKPBBOBH-UHFFFAOYSA-N 0 0 395.322 4.081 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3nc4ccccc4s3)CC2)cc1 ZINC000056345675 823132041 /nfs/dbraw/zinc/13/20/41/823132041.db2.gz WZYMGAAXNYBQMH-UHFFFAOYSA-N 0 0 382.489 4.049 20 10 GICDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000176155007 823138108 /nfs/dbraw/zinc/13/81/08/823138108.db2.gz XCXLRCYPZXTHAH-DZGCQCFKSA-N 0 0 379.909 4.418 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1 ZINC000056563474 823170862 /nfs/dbraw/zinc/17/08/62/823170862.db2.gz CXVYVKQRKUAQOJ-UHFFFAOYSA-N 0 0 377.847 4.232 20 10 GICDRN Cc1cc(C(=O)Nc2cnn(C)c2C)c(C)n1-c1cccc(Br)c1 ZINC000176315575 823180178 /nfs/dbraw/zinc/18/01/78/823180178.db2.gz XUBDXTWEWKEDSI-UHFFFAOYSA-N 0 0 387.281 4.151 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(Cl)cccc1Cl ZINC000176353907 823189899 /nfs/dbraw/zinc/18/98/99/823189899.db2.gz GFKRPYJVEDDSPE-UHFFFAOYSA-N 0 0 393.314 4.132 20 10 GICDRN CCCCN(C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)c1ccccc1 ZINC000176395292 823198237 /nfs/dbraw/zinc/19/82/37/823198237.db2.gz UEIVISBRJIDEDF-VAWYXSNFSA-N 0 0 378.476 4.152 20 10 GICDRN CC(C)(C)c1nnc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000056736498 823203659 /nfs/dbraw/zinc/20/36/59/823203659.db2.gz LFZSNFBEZUGNIR-UHFFFAOYSA-N 0 0 386.477 4.369 20 10 GICDRN O=C(NCCCSc1nccs1)Nc1cc(F)ccc1OC(F)F ZINC000121646095 823221958 /nfs/dbraw/zinc/22/19/58/823221958.db2.gz DBHVBNKRARCVNK-UHFFFAOYSA-N 0 0 377.413 4.188 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)NCc3cccc(OC)c3O)s2)cc1 ZINC000176524319 823228890 /nfs/dbraw/zinc/22/88/90/823228890.db2.gz YJCVYCJFPONATB-UHFFFAOYSA-N 0 0 398.484 4.137 20 10 GICDRN CSc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000056943695 823233360 /nfs/dbraw/zinc/23/33/60/823233360.db2.gz ZASNJWOCCMZINN-GOSISDBHSA-N 0 0 386.517 4.005 20 10 GICDRN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)s1 ZINC000176646553 823256620 /nfs/dbraw/zinc/25/66/20/823256620.db2.gz PLEVDSHAKHDMCK-CQSZACIVSA-N 0 0 392.952 4.030 20 10 GICDRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)cc1 ZINC000005219829 817563501 /nfs/dbraw/zinc/56/35/01/817563501.db2.gz ONLMXQPDOCOEEM-UHFFFAOYSA-N 0 0 384.457 4.420 20 10 GICDRN C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005860345 817623705 /nfs/dbraw/zinc/62/37/05/817623705.db2.gz XMXXPYCQWODZMU-ZDUSSCGKSA-N 0 0 389.382 4.007 20 10 GICDRN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccnc1 ZINC000006366758 817684002 /nfs/dbraw/zinc/68/40/02/817684002.db2.gz WOXKPUQRDKPORJ-JYRVWZFOSA-N 0 0 377.288 4.250 20 10 GICDRN Cc1cc(C(=O)CSCCO)c(C)n1-c1ccc(Br)c(C)c1 ZINC000007199077 817789856 /nfs/dbraw/zinc/78/98/56/817789856.db2.gz LVOPJFRGOZNWNQ-UHFFFAOYSA-N 0 0 382.323 4.073 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1F ZINC000007318097 817817761 /nfs/dbraw/zinc/81/77/61/817817761.db2.gz RKWFZEWUPMHDFJ-BOPFTXTBSA-N 0 0 388.489 4.306 20 10 GICDRN COc1ccc(-c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 ZINC000007354529 817822532 /nfs/dbraw/zinc/82/25/32/817822532.db2.gz WQOSKDKGPYZYTP-UHFFFAOYSA-N 0 0 395.528 4.150 20 10 GICDRN COc1ccc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)c(OC)c1OC ZINC000007587319 817875281 /nfs/dbraw/zinc/87/52/81/817875281.db2.gz BZBXOUQZSFOWJT-BOPFTXTBSA-N 0 0 398.484 4.412 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011717642 818113386 /nfs/dbraw/zinc/11/33/86/818113386.db2.gz BZGBTXOXARXPFT-UHFFFAOYSA-N 0 0 396.491 4.046 20 10 GICDRN CCn1cc(N2C(=O)/C(=C\c3cc(C)ccc3OC(F)F)SC2=S)cn1 ZINC000176900117 823320503 /nfs/dbraw/zinc/32/05/03/823320503.db2.gz PFBOCCJMBGNWFM-VGOFMYFVSA-N 0 0 395.456 4.219 20 10 GICDRN COCCCCN(Cc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661130 823319409 /nfs/dbraw/zinc/31/94/09/823319409.db2.gz VRAARFQGDGRQGL-UHFFFAOYSA-N 0 0 395.547 4.207 20 10 GICDRN Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000015372952 818319483 /nfs/dbraw/zinc/31/94/83/818319483.db2.gz IWKQWSKBURHSAS-UHFFFAOYSA-N 0 0 387.483 4.243 20 10 GICDRN CN(C)c1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000015832747 818374741 /nfs/dbraw/zinc/37/47/41/818374741.db2.gz RZGTYGHYRKQAKB-UHFFFAOYSA-N 0 0 385.920 4.388 20 10 GICDRN Cc1nc(COc2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)cs1 ZINC000016234952 818408018 /nfs/dbraw/zinc/40/80/18/818408018.db2.gz RLPZZAMAVSVKHI-UHFFFAOYSA-N 0 0 381.501 4.027 20 10 GICDRN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)on1 ZINC000017992842 818537811 /nfs/dbraw/zinc/53/78/11/818537811.db2.gz CCQJASRUWGVOFZ-UHFFFAOYSA-N 0 0 390.798 4.223 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000018150674 818550890 /nfs/dbraw/zinc/55/08/90/818550890.db2.gz WVZGRDPGZLXEMM-UHFFFAOYSA-N 0 0 383.492 4.372 20 10 GICDRN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCSc2ncccc21 ZINC000460361178 823363683 /nfs/dbraw/zinc/36/36/83/823363683.db2.gz JRFDFZIOXBTHPG-UHFFFAOYSA-N 0 0 399.479 4.082 20 10 GICDRN Cc1cc(C)c2c(N)c(C(=O)OCc3csc(-c4ccccn4)n3)sc2n1 ZINC000023204791 818908932 /nfs/dbraw/zinc/90/89/32/818908932.db2.gz HKAPQNQRLAJNPY-UHFFFAOYSA-N 0 0 396.497 4.371 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000023744987 818978691 /nfs/dbraw/zinc/97/86/91/818978691.db2.gz BESGRGBSSLLRCU-UHFFFAOYSA-N 0 0 384.480 4.012 20 10 GICDRN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1 ZINC000177156137 823385681 /nfs/dbraw/zinc/38/56/81/823385681.db2.gz TYUYMAIYRDECMU-QGZVFWFLSA-N 0 0 392.474 4.235 20 10 GICDRN Cc1ccc(C(N)=O)cc1NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000058443752 823392125 /nfs/dbraw/zinc/39/21/25/823392125.db2.gz UZAKEVXLQOGYBQ-UHFFFAOYSA-N 0 0 394.519 4.185 20 10 GICDRN Cc1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000058508323 823401675 /nfs/dbraw/zinc/40/16/75/823401675.db2.gz ZJIUDJFHEZOPBM-UHFFFAOYSA-N 0 0 389.377 4.362 20 10 GICDRN Cc1cc(F)cc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 ZINC000189447786 823418993 /nfs/dbraw/zinc/41/89/93/823418993.db2.gz YHQBYIYMOIIOCZ-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN CCc1cc(O)ccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000189433103 823414664 /nfs/dbraw/zinc/41/46/64/823414664.db2.gz RQIJVYUYFGXYCP-UHFFFAOYSA-N 0 0 395.427 4.285 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(F)ccc1F)c1ccc(N)cc1 ZINC000189449739 823419393 /nfs/dbraw/zinc/41/93/93/823419393.db2.gz JSDOMIIBZHNFAW-CQSZACIVSA-N 0 0 395.409 4.280 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2[nH]ccc2c1)c1ccc(N)cc1 ZINC000189446495 823418364 /nfs/dbraw/zinc/41/83/64/823418364.db2.gz DAEOWUZIJVEQSP-INIZCTEOSA-N 0 0 398.466 4.483 20 10 GICDRN Cc1ccc(-n2cnn(CN(C)Cc3ccc(N(C)C)cc3)c2=S)c(C)c1 ZINC000024980497 819903404 /nfs/dbraw/zinc/90/34/04/819903404.db2.gz PYGBCKQYUVJUHW-UHFFFAOYSA-N 0 0 381.549 4.176 20 10 GICDRN Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccc(C(C)C)cc1 ZINC000024998113 819906234 /nfs/dbraw/zinc/90/62/34/819906234.db2.gz ZECHRVGTYOBYEW-UHFFFAOYSA-N 0 0 382.504 4.197 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365031 823445728 /nfs/dbraw/zinc/44/57/28/823445728.db2.gz PWSXOOCPVXBYTJ-VDBVYFBLSA-N 0 0 379.909 4.179 20 10 GICDRN CCNC(=O)c1ccccc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000027946834 820299829 /nfs/dbraw/zinc/29/98/29/820299829.db2.gz YREUTXNXHCAPQO-UHFFFAOYSA-N 0 0 375.472 4.405 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123253167 823485906 /nfs/dbraw/zinc/48/59/06/823485906.db2.gz KBCWUNWVAFYMER-GJZGRUSLSA-N 0 0 394.475 4.016 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000059396844 823495324 /nfs/dbraw/zinc/49/53/24/823495324.db2.gz XSFIAQDXUCZFGL-YVLHZVERSA-N 0 0 387.482 4.118 20 10 GICDRN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000060106013 823508631 /nfs/dbraw/zinc/50/86/31/823508631.db2.gz CJTMOKPHTHGQRI-AWEZNQCLSA-N 0 0 378.394 4.033 20 10 GICDRN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)c1 ZINC000040867563 821165899 /nfs/dbraw/zinc/16/58/99/821165899.db2.gz NIWHVTVWICEGAY-YVLHZVERSA-N 0 0 387.482 4.118 20 10 GICDRN Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nn1-c1cccc(F)c1 ZINC000180712970 821411344 /nfs/dbraw/zinc/41/13/44/821411344.db2.gz DFIRTGSFJNWIHE-UHFFFAOYSA-N 0 0 391.450 4.018 20 10 GICDRN CCCc1cnc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000180829910 821484656 /nfs/dbraw/zinc/48/46/56/821484656.db2.gz JCFNQIJPEWGDED-OAHLLOKOSA-N 0 0 375.494 4.014 20 10 GICDRN COCCc1nc(C)c([C@@H](C)OC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000180902099 821525986 /nfs/dbraw/zinc/52/59/86/821525986.db2.gz BPTSDLPLBKVEOM-MRXNPFEDSA-N 0 0 399.516 4.361 20 10 GICDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000180913922 821533989 /nfs/dbraw/zinc/53/39/89/821533989.db2.gz AUJGYPVNAKGPIQ-NRFANRHFSA-N 0 0 395.551 4.310 20 10 GICDRN COc1cc(O)c(CNc2cccc(-c3nnc4n3CCCCC4)c2)cc1OC ZINC000180929696 821543131 /nfs/dbraw/zinc/54/31/31/821543131.db2.gz TZUSAUHZEUITSL-UHFFFAOYSA-N 0 0 394.475 4.006 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000181279790 821731689 /nfs/dbraw/zinc/73/16/89/821731689.db2.gz RSTPDYYMBKIQER-LBPRGKRZSA-N 0 0 388.851 4.056 20 10 GICDRN Cc1noc(CCCC(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000181583428 821889414 /nfs/dbraw/zinc/88/94/14/821889414.db2.gz RDVJPKYOTXZRHS-MRXNPFEDSA-N 0 0 379.460 4.196 20 10 GICDRN O=C(Nc1ccc(-c2ncco2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000182559683 822302312 /nfs/dbraw/zinc/30/23/12/822302312.db2.gz DPBJRUGIVDBVTB-LJQANCHMSA-N 0 0 393.443 4.260 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)cc1 ZINC000182590386 822314152 /nfs/dbraw/zinc/31/41/52/822314152.db2.gz GDLBJPOBOKXQLO-UHFFFAOYSA-N 0 0 392.459 4.141 20 10 GICDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000178092779 822316002 /nfs/dbraw/zinc/31/60/02/822316002.db2.gz ZNEZSXIBEKYEKN-NTFQWFPTSA-N 0 0 390.524 4.043 20 10 GICDRN CCCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000045157780 822367124 /nfs/dbraw/zinc/36/71/24/822367124.db2.gz MNEAEAWOZAOPQR-WYMLVPIESA-N 0 0 382.576 4.036 20 10 GICDRN C[C@@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000183195830 822439625 /nfs/dbraw/zinc/43/96/25/822439625.db2.gz AKPXEKAHTUQWFJ-SJORKVTESA-N 0 0 377.492 4.322 20 10 GICDRN COC(=O)c1c(F)cccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000179223053 822453538 /nfs/dbraw/zinc/45/35/38/822453538.db2.gz FGPKGMDJOMXZAE-UHFFFAOYSA-N 0 0 399.466 4.267 20 10 GICDRN Cc1ccc(-n2ncc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2C(C)C)cc1 ZINC000183447447 822476398 /nfs/dbraw/zinc/47/63/98/822476398.db2.gz MXONDKJYECZMGN-INIZCTEOSA-N 0 0 393.487 4.076 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000183451986 822477063 /nfs/dbraw/zinc/47/70/63/822477063.db2.gz LHOMGFFMQLUKDE-QWHCGFSZSA-N 0 0 381.394 4.358 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c(O)c1O ZINC000179505416 822492708 /nfs/dbraw/zinc/49/27/08/822492708.db2.gz WCCUSHQCBUGNNH-HHHXNRCGSA-N 0 0 387.501 4.240 20 10 GICDRN O=C(CN(Cc1ccccc1O)Cc1ccccc1F)Nc1ccccc1F ZINC000179561654 822503829 /nfs/dbraw/zinc/50/38/29/822503829.db2.gz VOPDFIUQCZPFKM-UHFFFAOYSA-N 0 0 382.410 4.311 20 10 GICDRN COc1ccc(N2CCC(NC(=O)/C(C)=C/c3ccc(OC)c(F)c3)CC2)cc1 ZINC000183679358 822510009 /nfs/dbraw/zinc/51/00/09/822510009.db2.gz PHYOXHBAYAFMFS-JQIJEIRASA-N 0 0 398.478 4.031 20 10 GICDRN Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000047063576 822541507 /nfs/dbraw/zinc/54/15/07/822541507.db2.gz JEFMXTZCTPWLLI-UHFFFAOYSA-N 0 0 393.409 4.172 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc(F)cc1 ZINC000047065402 822541774 /nfs/dbraw/zinc/54/17/74/822541774.db2.gz VZAUXOIPKUATQU-UHFFFAOYSA-N 0 0 397.372 4.003 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000184031778 822567641 /nfs/dbraw/zinc/56/76/41/822567641.db2.gz KIBSLXJNJYJTRR-UNMCSNQZSA-N 0 0 379.504 4.006 20 10 GICDRN COC(=O)c1coc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000184307873 822611959 /nfs/dbraw/zinc/61/19/59/822611959.db2.gz OLIVPCRDKOZSTJ-OAHLLOKOSA-N 0 0 379.412 4.175 20 10 GICDRN Cc1cc2c(cc1NC(=O)N(C)Cc1ccc(N3CCCCC3)cc1)OCO2 ZINC000180107715 822616614 /nfs/dbraw/zinc/61/66/14/822616614.db2.gz UJWRVFIXNAGHMI-UHFFFAOYSA-N 0 0 381.476 4.378 20 10 GICDRN CC(C)CNC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000048142030 822638475 /nfs/dbraw/zinc/63/84/75/822638475.db2.gz GVNWBEAYUGQUFK-UHFFFAOYSA-N 0 0 389.883 4.095 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(Cc3ccccc3F)s2)cc1 ZINC000184839494 822698389 /nfs/dbraw/zinc/69/83/89/822698389.db2.gz GHTXUWRHQXNZQD-UHFFFAOYSA-N 0 0 383.492 4.211 20 10 GICDRN CN1C(=O)/C(=C\c2csc(COc3ccc(Cl)cc3)n2)SC1=S ZINC000050178920 822721172 /nfs/dbraw/zinc/72/11/72/822721172.db2.gz PFQNSWIKEFUDIR-WUXMJOGZSA-N 0 0 382.919 4.207 20 10 GICDRN Cc1nnc([C@H](N[C@@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324132 822765976 /nfs/dbraw/zinc/76/59/76/822765976.db2.gz YFMPGNXYXRBNPD-APPDUMDISA-N 0 0 387.281 4.021 20 10 GICDRN Cc1nnc([C@H](N[C@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324859 822766209 /nfs/dbraw/zinc/76/62/09/822766209.db2.gz HQVOFQZZLRXAOL-PIGZYNQJSA-N 0 0 387.281 4.021 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 ZINC000174304170 822767705 /nfs/dbraw/zinc/76/77/05/822767705.db2.gz CSHYXNCFTXSHJC-AQOAWAETSA-N 0 0 398.503 4.237 20 10 GICDRN Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2[O-])on1 ZINC000185357124 822770622 /nfs/dbraw/zinc/77/06/22/822770622.db2.gz VAKJCMFVZKHPJL-MRVPVSSYSA-N 0 0 390.075 4.064 20 10 GICDRN O=C(Nc1c(F)cccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174371268 822779633 /nfs/dbraw/zinc/77/96/33/822779633.db2.gz HVSDVPSPESNUFA-GFCCVEGCSA-N 0 0 397.372 4.357 20 10 GICDRN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000174443822 822790510 /nfs/dbraw/zinc/79/05/10/822790510.db2.gz WSSURVBAPRPEEH-CYBMUJFWSA-N 0 0 378.517 4.122 20 10 GICDRN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000174447820 822791038 /nfs/dbraw/zinc/79/10/38/822791038.db2.gz JXKLPXLWLNJJLS-HNNXBMFYSA-N 0 0 386.565 4.299 20 10 GICDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1ncnc2sccc21 ZINC000052426852 822798858 /nfs/dbraw/zinc/79/88/58/822798858.db2.gz MZOLRSNVLVUWQM-UHFFFAOYSA-N 0 0 394.422 4.159 20 10 GICDRN Cc1ccc(-c2cnc(CCC(=O)NCc3c(O)ccc4c3CCCC4)o2)cc1 ZINC000174510338 822798999 /nfs/dbraw/zinc/79/89/99/822798999.db2.gz IMYWDORDRBOXLE-UHFFFAOYSA-N 0 0 390.483 4.483 20 10 GICDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnsc1Cl ZINC000052451003 822800235 /nfs/dbraw/zinc/80/02/35/822800235.db2.gz LQXHDLVACJLVRR-UHFFFAOYSA-N 0 0 394.909 4.138 20 10 GICDRN O=C(Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1)c1ccco1 ZINC000052807290 822811654 /nfs/dbraw/zinc/81/16/54/822811654.db2.gz XQZVZOVNDOYKJA-UHFFFAOYSA-N 0 0 389.455 4.062 20 10 GICDRN COc1cccc(-c2nnc(NCc3ccc(N4CCCCC4)cc3)o2)c1OC ZINC000186045046 822846909 /nfs/dbraw/zinc/84/69/09/822846909.db2.gz VLUKFSCREZTPJW-UHFFFAOYSA-N 0 0 394.475 4.356 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cc1Cl ZINC000174912127 822854693 /nfs/dbraw/zinc/85/46/93/822854693.db2.gz NCAPYWRUYMHNIC-LFIBNONCSA-N 0 0 390.917 4.188 20 10 GICDRN O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000174914367 822855229 /nfs/dbraw/zinc/85/52/29/822855229.db2.gz VCOYGDXHXFINCP-ZSOIEALJSA-N 0 0 396.415 4.382 20 10 GICDRN COc1cccc(C([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c2cccc(OC)c2)c1 ZINC000174929211 822857320 /nfs/dbraw/zinc/85/73/20/822857320.db2.gz UGMAHZUJOIFTLD-UHFFFAOYSA-N 0 0 394.427 4.197 20 10 GICDRN CCN(CC)c1nc2sc(C(=O)N(C)Cc3ccccc3O)cc2s1 ZINC000054080736 822861491 /nfs/dbraw/zinc/86/14/91/822861491.db2.gz GUZDEMHIPHDASO-UHFFFAOYSA-N 0 0 375.519 4.182 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)ccc21 ZINC000569165451 822887121 /nfs/dbraw/zinc/88/71/21/822887121.db2.gz PDBDEMBWQFPQIF-YADHBBJMSA-N 0 0 396.531 4.078 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000175135026 822889440 /nfs/dbraw/zinc/88/94/40/822889440.db2.gz OTJZFDBUHKVNPJ-UHFFFAOYSA-N 0 0 381.407 4.169 20 10 GICDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 ZINC000175142988 822891000 /nfs/dbraw/zinc/89/10/00/822891000.db2.gz NJHGVHDYCBHFMZ-AWEZNQCLSA-N 0 0 378.925 4.000 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186442464 822896267 /nfs/dbraw/zinc/89/62/67/822896267.db2.gz RHTMTGGKDYLMTK-QFIPXVFZSA-N 0 0 378.497 4.427 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000175227661 822909360 /nfs/dbraw/zinc/90/93/60/822909360.db2.gz RRDORVWNNIWLSI-MRXNPFEDSA-N 0 0 395.507 4.054 20 10 GICDRN Cc1cc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c(C)n1-c1ccccn1 ZINC000175266909 822919557 /nfs/dbraw/zinc/91/95/57/822919557.db2.gz ZZSXHZDJHQCEDW-UHFFFAOYSA-N 0 0 390.443 4.006 20 10 GICDRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nccs2)cc1 ZINC000055095795 822937599 /nfs/dbraw/zinc/93/75/99/822937599.db2.gz QVZIOWHUIHRCCR-UHFFFAOYSA-N 0 0 397.525 4.112 20 10 GICDRN Cc1noc(CSc2ccccc2C(=O)N2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000175476630 822978116 /nfs/dbraw/zinc/97/81/16/822978116.db2.gz CXENERKSCJXNMS-DOTOQJQBSA-N 0 0 389.546 4.171 20 10 GICDRN CC(F)(F)c1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000186970248 822989522 /nfs/dbraw/zinc/98/95/22/822989522.db2.gz WLDNGWMMJWWYGE-UHFFFAOYSA-N 0 0 393.409 4.096 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186971029 822989782 /nfs/dbraw/zinc/98/97/82/822989782.db2.gz VOQOYQOBARANPZ-UHFFFAOYSA-N 0 0 389.446 4.299 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](c4ccccc4)[C@H]3C)CC2)cc1 ZINC000175747273 823031157 /nfs/dbraw/zinc/03/11/57/823031157.db2.gz JIZIPFOWMQJSIQ-JPYJTQIMSA-N 0 0 393.531 4.252 20 10 GICDRN COC(CCCC(C)(C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C)OC ZINC000187294463 823038499 /nfs/dbraw/zinc/03/84/99/823038499.db2.gz DRAKRVBTJUQAKD-UHFFFAOYSA-N 0 0 387.524 4.034 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)c2C)cc1 ZINC000123816911 823542972 /nfs/dbraw/zinc/54/29/72/823542972.db2.gz URWGTZKXDHBRCR-OPAMFIHVSA-N 0 0 392.503 4.023 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1NC(=O)c1cccs1 ZINC000123865107 823547272 /nfs/dbraw/zinc/54/72/72/823547272.db2.gz GWQCLSXQVSQGBN-UHFFFAOYSA-N 0 0 393.512 4.305 20 10 GICDRN CC[C@@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)c1c(C)noc1C ZINC000123987314 823557856 /nfs/dbraw/zinc/55/78/56/823557856.db2.gz DGFPGFSJEOETSZ-QGZVFWFLSA-N 0 0 376.476 4.227 20 10 GICDRN COc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc(OC)c1 ZINC000124067822 823564731 /nfs/dbraw/zinc/56/47/31/823564731.db2.gz DKPGTHSLGJVBRF-UHFFFAOYSA-N 0 0 382.416 4.237 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000124347560 823589120 /nfs/dbraw/zinc/58/91/20/823589120.db2.gz WQPOFPNDEZYSQI-UHFFFAOYSA-N 0 0 391.418 4.041 20 10 GICDRN COc1ccc(N2CCC(N[C@@H](C)c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000124369342 823590751 /nfs/dbraw/zinc/59/07/51/823590751.db2.gz DMRBJZNYBNCWGQ-INIZCTEOSA-N 0 0 378.476 4.065 20 10 GICDRN CCOc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C(F)(F)F)c1 ZINC000190953623 823629778 /nfs/dbraw/zinc/62/97/78/823629778.db2.gz CNFXLZAVZJRXAE-LLVKDONJSA-N 0 0 398.381 4.268 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000190965740 823631593 /nfs/dbraw/zinc/63/15/93/823631593.db2.gz PUVYBFHJVCVSAN-INIZCTEOSA-N 0 0 383.492 4.087 20 10 GICDRN CC(=O)Nc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1C ZINC000124871314 823632770 /nfs/dbraw/zinc/63/27/70/823632770.db2.gz PMHRCLLKXXDIDN-UHFFFAOYSA-N 0 0 393.443 4.486 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000190978702 823633708 /nfs/dbraw/zinc/63/37/08/823633708.db2.gz SFJMTFYVGZQUFM-OAHLLOKOSA-N 0 0 383.492 4.229 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191156958 823654494 /nfs/dbraw/zinc/65/44/94/823654494.db2.gz OROSKNWFTGQGER-UHFFFAOYSA-N 0 0 399.491 4.373 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(N3CCSCC3)cc2)c(C)n1-c1ccccn1 ZINC000125199164 823658753 /nfs/dbraw/zinc/65/87/53/823658753.db2.gz PMKONWBAAOYCPX-UHFFFAOYSA-N 0 0 392.528 4.295 20 10 GICDRN O=C(c1ccc(-n2cccn2)c(F)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000125279861 823664393 /nfs/dbraw/zinc/66/43/93/823664393.db2.gz ZESOUOYLRYTQIM-UHFFFAOYSA-N 0 0 391.402 4.153 20 10 GICDRN O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1)C1CC1 ZINC000125299544 823666015 /nfs/dbraw/zinc/66/60/15/823666015.db2.gz STXNYXVLNMEVOT-UHFFFAOYSA-N 0 0 390.439 4.176 20 10 GICDRN O=C(c1ccn(-c2ccccc2F)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125300030 823666080 /nfs/dbraw/zinc/66/60/80/823666080.db2.gz MGDGERVLZDYSRF-UHFFFAOYSA-N 0 0 391.402 4.153 20 10 GICDRN CCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000125319353 823667559 /nfs/dbraw/zinc/66/75/59/823667559.db2.gz OCHKSQVJVQNDCE-KRWDZBQOSA-N 0 0 383.492 4.195 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000125731353 823701519 /nfs/dbraw/zinc/70/15/19/823701519.db2.gz SNATVQNFUHMXTF-UHFFFAOYSA-N 0 0 394.443 4.084 20 10 GICDRN CCOCc1cc(CN[C@H](C)c2nc(Cc3ccccc3)no2)ccc1OC ZINC000191599085 823708493 /nfs/dbraw/zinc/70/84/93/823708493.db2.gz LJFMCVSZWPRILF-MRXNPFEDSA-N 0 0 381.476 4.056 20 10 GICDRN CC(C)Oc1ccc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000125791744 823711503 /nfs/dbraw/zinc/71/15/03/823711503.db2.gz QKNREKJWIFGFJQ-SFHVURJKSA-N 0 0 379.504 4.410 20 10 GICDRN COc1cc(N(C)Cc2ccc(OCc3ccccn3)cc2)cc(OC)c1OC ZINC000125792502 823712040 /nfs/dbraw/zinc/71/20/40/823712040.db2.gz QVXVSXXIGKSARJ-UHFFFAOYSA-N 0 0 394.471 4.323 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000125805860 823715930 /nfs/dbraw/zinc/71/59/30/823715930.db2.gz ZRNIIVOQYFGVQO-QFIPXVFZSA-N 0 0 396.531 4.038 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2ccccc2N2CCCC2=O)s1 ZINC000164297066 823794453 /nfs/dbraw/zinc/79/44/53/823794453.db2.gz FJMTXNONMUCDPT-UHFFFAOYSA-N 0 0 389.546 4.298 20 10 GICDRN COc1ccc(C)cc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164312684 823795161 /nfs/dbraw/zinc/79/51/61/823795161.db2.gz NACDTHMJRZOVIC-UHFFFAOYSA-N 0 0 396.487 4.009 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C2CCC2)cc1 ZINC000191913831 823810621 /nfs/dbraw/zinc/81/06/21/823810621.db2.gz PYXBJVIMNUTGSR-UHFFFAOYSA-N 0 0 378.516 4.093 20 10 GICDRN CC(C)c1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cs1 ZINC000170685069 823938826 /nfs/dbraw/zinc/93/88/26/823938826.db2.gz VCRSETUWEIUOGB-SFHVURJKSA-N 0 0 387.549 4.154 20 10 GICDRN CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)C1CCC(CO)CC1 ZINC000126801972 823954908 /nfs/dbraw/zinc/95/49/08/823954908.db2.gz INMXJCBQWHHYDF-UHFFFAOYSA-N 0 0 387.568 4.148 20 10 GICDRN O=C1/C(=C\c2ccc(-n3ccnc3)cc2)SC(=S)N1CCc1cccs1 ZINC000170811092 823977620 /nfs/dbraw/zinc/97/76/20/823977620.db2.gz QIRGCEHNCSCXIO-SFQUDFHCSA-N 0 0 397.550 4.378 20 10 GICDRN CO[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171006967 824034989 /nfs/dbraw/zinc/03/49/89/824034989.db2.gz WSGGBZACVFNMEK-OAQYLSRUSA-N 0 0 380.444 4.085 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000171066712 824054334 /nfs/dbraw/zinc/05/43/34/824054334.db2.gz VPYNLNWNEKCQDB-FQEVSTJZSA-N 0 0 397.544 4.200 20 10 GICDRN COc1cc(Cl)cc(CN[C@H](c2noc(C3CC3)n2)c2ccccc2)c1O ZINC000359962349 209207918 /nfs/dbraw/zinc/20/79/18/209207918.db2.gz VIDZKMOWCDREDV-KRWDZBQOSA-N 0 0 385.851 4.194 20 10 GICDRN Fc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC000095590811 136182358 /nfs/dbraw/zinc/18/23/58/136182358.db2.gz VQIPFMOEPPWFRZ-UHFFFAOYSA-N 0 0 388.446 4.351 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC000187371413 823051369 /nfs/dbraw/zinc/05/13/69/823051369.db2.gz CDPAMAMVWYQZJF-UHFFFAOYSA-N 0 0 396.384 4.206 20 10 GICDRN CC(C)n1ncc2cc(/C=C3\SC(N4CCCCC4)=NC3=O)c(Cl)nc21 ZINC000120803748 823067280 /nfs/dbraw/zinc/06/72/80/823067280.db2.gz VRAXZKVCNYSOST-ZROIWOOFSA-N 0 0 389.912 4.122 20 10 GICDRN CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCCC3)cc1)CCO2 ZINC000187549976 823086780 /nfs/dbraw/zinc/08/67/80/823086780.db2.gz MJEXTWZQWNVYBU-NRFANRHFSA-N 0 0 395.503 4.009 20 10 GICDRN CN(CC1(c2ccccc2)CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187555902 823087816 /nfs/dbraw/zinc/08/78/16/823087816.db2.gz SQDUBRQUIKPUKJ-UHFFFAOYSA-N 0 0 395.572 4.113 20 10 GICDRN Cc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)c(C)n1-c1ccccc1C ZINC000120936664 823089565 /nfs/dbraw/zinc/08/95/65/823089565.db2.gz OUAIYWOABDDYIQ-UHFFFAOYSA-N 0 0 389.499 4.071 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(-c2ccco2)on1 ZINC000120999961 823100617 /nfs/dbraw/zinc/10/06/17/823100617.db2.gz APRVLGROHYIXMB-UHFFFAOYSA-N 0 0 391.221 4.065 20 10 GICDRN C[C@@H](CCc1cccn1C)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176035794 823102380 /nfs/dbraw/zinc/10/23/80/823102380.db2.gz BJRGRIFCSQPKNJ-KRWDZBQOSA-N 0 0 381.476 4.057 20 10 GICDRN CCCOc1ccccc1NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056560590 823169978 /nfs/dbraw/zinc/16/99/78/823169978.db2.gz UUGCIEAWYLVUSR-UHFFFAOYSA-N 0 0 383.492 4.228 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000176328915 823183525 /nfs/dbraw/zinc/18/35/25/823183525.db2.gz NACTWURXYLMXIS-UHFFFAOYSA-N 0 0 386.565 4.063 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000121436498 823184029 /nfs/dbraw/zinc/18/40/29/823184029.db2.gz SFAOEUPPMUTLMI-MRXNPFEDSA-N 0 0 393.491 4.095 20 10 GICDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000176364027 823191773 /nfs/dbraw/zinc/19/17/73/823191773.db2.gz DWGSCWDVGGOTQM-OAHLLOKOSA-N 0 0 377.444 4.023 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc2c1OCCO2 ZINC000056721870 823200200 /nfs/dbraw/zinc/20/02/00/823200200.db2.gz SVPUOXXWQHHJBA-UHFFFAOYSA-N 0 0 381.476 4.112 20 10 GICDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2[nH]ccc21 ZINC000176470703 823215152 /nfs/dbraw/zinc/21/51/52/823215152.db2.gz KWYXAMOLHCTXAH-CQSZACIVSA-N 0 0 385.414 4.168 20 10 GICDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176472026 823215323 /nfs/dbraw/zinc/21/53/23/823215323.db2.gz UOEFXRZQPWZMHF-WFXMLNOXSA-N 0 0 382.504 4.275 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056880077 823227157 /nfs/dbraw/zinc/22/71/57/823227157.db2.gz ZUGVVVSFBMNIAO-OAQYLSRUSA-N 0 0 399.535 4.426 20 10 GICDRN COc1ccc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1F ZINC000121704811 823234077 /nfs/dbraw/zinc/23/40/77/823234077.db2.gz AIUXPRULTNWPQO-UHFFFAOYSA-N 0 0 385.420 4.029 20 10 GICDRN CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000188445539 823241762 /nfs/dbraw/zinc/24/17/62/823241762.db2.gz ASGCNSWAMRJFTQ-UHFFFAOYSA-N 0 0 381.394 4.044 20 10 GICDRN COc1ccc(N2C(=O)/C(=C/c3cc(OC)cc(OC)c3)SC2=S)cc1 ZINC000001206344 817375171 /nfs/dbraw/zinc/37/51/71/817375171.db2.gz VSHAUMYXNLVNHI-YVLHZVERSA-N 0 0 387.482 4.118 20 10 GICDRN COc1ccc(CN2C(=O)/C(=C\c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1 ZINC000002225196 817380060 /nfs/dbraw/zinc/38/00/60/817380060.db2.gz JQKQNEODIJTSSE-MDBUFAAASA-N 0 0 397.521 4.420 20 10 GICDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1 ZINC000005193759 817559165 /nfs/dbraw/zinc/55/91/65/817559165.db2.gz BLPVAAWCVNDESQ-UHFFFAOYSA-N 0 0 396.443 4.137 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000005195677 817559268 /nfs/dbraw/zinc/55/92/68/817559268.db2.gz KENBLTFALWQLEC-UHFFFAOYSA-N 0 0 384.407 4.186 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC(F)(F)CC2)cc1 ZINC000121900302 823272878 /nfs/dbraw/zinc/27/28/78/823272878.db2.gz DLONJSNIFZOZRZ-IBGZPJMESA-N 0 0 380.479 4.086 20 10 GICDRN Cc1cc(C(=O)[C@H](C)Sc2nc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000005620783 817600811 /nfs/dbraw/zinc/60/08/11/817600811.db2.gz BZBUFVMWIINMQX-LBPRGKRZSA-N 0 0 392.431 4.177 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000005643714 817603252 /nfs/dbraw/zinc/60/32/52/817603252.db2.gz NGXZXJXRHKRGKW-UHFFFAOYSA-N 0 0 384.382 4.168 20 10 GICDRN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(C)c(F)c1 ZINC000005971732 817633968 /nfs/dbraw/zinc/63/39/68/817633968.db2.gz JWOURCLZDQEKSS-UHFFFAOYSA-N 0 0 383.379 4.107 20 10 GICDRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccnc1 ZINC000006366751 817683625 /nfs/dbraw/zinc/68/36/25/817683625.db2.gz XDEBDMKIRQYEJQ-JYRVWZFOSA-N 0 0 377.288 4.250 20 10 GICDRN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000007103343 817759871 /nfs/dbraw/zinc/75/98/71/817759871.db2.gz XZHCWGTVYYXJTR-OAQYLSRUSA-N 0 0 383.561 4.439 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000122022965 823294716 /nfs/dbraw/zinc/29/47/16/823294716.db2.gz XYPQWYPJZTYLGM-INIZCTEOSA-N 0 0 383.492 4.192 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000188779529 823303634 /nfs/dbraw/zinc/30/36/34/823303634.db2.gz FOBUVKTYBXCXOB-GFCCVEGCSA-N 0 0 379.378 4.329 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncc(Br)c1 ZINC000010962354 818034951 /nfs/dbraw/zinc/03/49/51/818034951.db2.gz ADRALVSMOIYGHC-UHFFFAOYSA-N 0 0 388.309 4.107 20 10 GICDRN COc1ccc([C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C2CC2)cc1 ZINC000057567010 823310542 /nfs/dbraw/zinc/31/05/42/823310542.db2.gz YQWPXJREJLHXRE-QFIPXVFZSA-N 0 0 379.504 4.246 20 10 GICDRN COc1ccccc1CNC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000011619186 818100423 /nfs/dbraw/zinc/10/04/23/818100423.db2.gz MZMWKHGPTXIGCL-UHFFFAOYSA-N 0 0 390.439 4.332 20 10 GICDRN COc1cccc(N2C(=O)C(=Cc3cc(C)n(CC(C)C)c3C)NC2=S)c1 ZINC000015258224 818304280 /nfs/dbraw/zinc/30/42/80/818304280.db2.gz MGSPPSSVTPEHHP-VXLYETTFSA-N 0 0 383.517 4.032 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000016135045 818396629 /nfs/dbraw/zinc/39/66/29/818396629.db2.gz XJAJOFXDIBOLRH-UHFFFAOYSA-N 0 0 394.446 4.195 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)CSc3nnnn3C3CC3)c2C)c1 ZINC000016375391 818429841 /nfs/dbraw/zinc/42/98/41/818429841.db2.gz LNWFVNJUKHYVHG-UHFFFAOYSA-N 0 0 399.545 4.112 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000176970218 823338389 /nfs/dbraw/zinc/33/83/89/823338389.db2.gz BBDCCYFGEKPHNG-GOSISDBHSA-N 0 0 381.303 4.142 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2-c2nncn2CC)cc1 ZINC000177004900 823347454 /nfs/dbraw/zinc/34/74/54/823347454.db2.gz HOYXRYGNLMBLRE-UHFFFAOYSA-N 0 0 392.507 4.133 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)cc1 ZINC000021412587 818684644 /nfs/dbraw/zinc/68/46/44/818684644.db2.gz OBJRRIRMPGULGI-HSZRJFAPSA-N 0 0 395.547 4.067 20 10 GICDRN COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000122466827 823358656 /nfs/dbraw/zinc/35/86/56/823358656.db2.gz JPIMFNGQJVYZNL-KRWDZBQOSA-N 0 0 399.560 4.151 20 10 GICDRN COC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000023355424 818927127 /nfs/dbraw/zinc/92/71/27/818927127.db2.gz FYTHWYQCYAKAJO-MRXNPFEDSA-N 0 0 398.484 4.401 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(Cc1c(F)cccc1F)C1CC1 ZINC000189218458 823377552 /nfs/dbraw/zinc/37/75/52/823377552.db2.gz NYJLONDIGFDSKN-UHFFFAOYSA-N 0 0 383.442 4.215 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1F ZINC000189449868 823419663 /nfs/dbraw/zinc/41/96/63/823419663.db2.gz ZYEOMEQLFQDUDL-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122985484 823443960 /nfs/dbraw/zinc/44/39/60/823443960.db2.gz HLBOIUUCLAIKNV-NRFANRHFSA-N 0 0 397.494 4.017 20 10 GICDRN CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000025553320 820002476 /nfs/dbraw/zinc/00/24/76/820002476.db2.gz HLCNRJIJRFWAGQ-UHFFFAOYSA-N 0 0 379.435 4.122 20 10 GICDRN CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cnc21 ZINC000025991931 820047470 /nfs/dbraw/zinc/04/74/70/820047470.db2.gz VBZWSKVPSIKGES-UHFFFAOYSA-N 0 0 391.519 4.275 20 10 GICDRN CC1CCN(c2cccc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)c2)CC1 ZINC000123082742 823459201 /nfs/dbraw/zinc/45/92/01/823459201.db2.gz GWVPSFGVUCYSIS-UHFFFAOYSA-N 0 0 377.488 4.067 20 10 GICDRN Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3cccc(C)c3C)sc2n1 ZINC000028775729 820356340 /nfs/dbraw/zinc/35/63/40/820356340.db2.gz LHPRFUGKVAFYNJ-CQSZACIVSA-N 0 0 397.500 4.296 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1 ZINC000123253397 823485868 /nfs/dbraw/zinc/48/58/68/823485868.db2.gz KBCWUNWVAFYMER-HUUCEWRRSA-N 0 0 394.475 4.016 20 10 GICDRN C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000060106011 823508673 /nfs/dbraw/zinc/50/86/73/823508673.db2.gz RBSZEKQJWMEGKZ-CQSZACIVSA-N 0 0 378.394 4.033 20 10 GICDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000031729331 820853279 /nfs/dbraw/zinc/85/32/79/820853279.db2.gz IEQXDALCMCNPAT-GOSISDBHSA-N 0 0 380.517 4.409 20 10 GICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)c(I)c2)c1 ZINC000037056025 821089606 /nfs/dbraw/zinc/08/96/06/821089606.db2.gz FFVRCQFSUMYXPF-LLVKDONJSA-N 0 0 383.229 4.487 20 10 GICDRN CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 ZINC000038642752 821098518 /nfs/dbraw/zinc/09/85/18/821098518.db2.gz RRCFJZWTRKSNDD-QHCPKHFHSA-N 0 0 396.531 4.361 20 10 GICDRN Cc1cscc1NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000123615752 823526160 /nfs/dbraw/zinc/52/61/60/823526160.db2.gz YZXKLQKCTVBLNM-ZDUSSCGKSA-N 0 0 381.448 4.448 20 10 GICDRN CC(C)[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000043106434 821361716 /nfs/dbraw/zinc/36/17/16/821361716.db2.gz IETBCDAYDBFSQJ-HXUWFJFHSA-N 0 0 379.508 4.168 20 10 GICDRN COc1cc(CN(C)c2ccc3c(c2)OCO3)ccc1OCc1ccncc1 ZINC000180760496 821439162 /nfs/dbraw/zinc/43/91/62/821439162.db2.gz YRUAROKPKCENHW-UHFFFAOYSA-N 0 0 378.428 4.034 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000181065789 821616220 /nfs/dbraw/zinc/61/62/20/821616220.db2.gz GJCJQKZSTKUBSQ-QHHAFSJGSA-N 0 0 380.419 4.138 20 10 GICDRN COCCOc1c(Cl)cc(NC(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000181462706 821837616 /nfs/dbraw/zinc/83/76/16/821837616.db2.gz UTRVFFKVYCCNGG-UHFFFAOYSA-N 0 0 399.274 4.388 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(NC(N)=O)c1 ZINC000181584897 821890413 /nfs/dbraw/zinc/89/04/13/821890413.db2.gz TXRFENRDIQYLSN-INIZCTEOSA-N 0 0 389.455 4.286 20 10 GICDRN CCc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1C ZINC000182006312 822059952 /nfs/dbraw/zinc/05/99/52/822059952.db2.gz IOQDLYCORDDGRA-UHFFFAOYSA-N 0 0 381.520 4.088 20 10 GICDRN COc1ccc(O)c([C@@H](C)NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000182337585 822207200 /nfs/dbraw/zinc/20/72/00/822207200.db2.gz BGCLTPYXVKEXCD-LLVKDONJSA-N 0 0 393.365 4.320 20 10 GICDRN COc1ccc(O)c([C@@H](C)NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000182361163 822215409 /nfs/dbraw/zinc/21/54/09/822215409.db2.gz ICNCWXOJRWGVQM-LLVKDONJSA-N 0 0 393.365 4.320 20 10 GICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000182400584 822230320 /nfs/dbraw/zinc/23/03/20/822230320.db2.gz JMOGERIRYKUVBP-QGZVFWFLSA-N 0 0 378.520 4.149 20 10 GICDRN Cc1c([C@@H](C)NCc2ccc(N3CCCC3)cc2)nnn1-c1ccc(F)cc1 ZINC000177974803 822265151 /nfs/dbraw/zinc/26/51/51/822265151.db2.gz QTTUBAURPLJHFY-MRXNPFEDSA-N 0 0 379.483 4.166 20 10 GICDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000182514262 822277653 /nfs/dbraw/zinc/27/76/53/822277653.db2.gz VMPFTOXGUORMQU-UHFFFAOYSA-N 0 0 391.395 4.358 20 10 GICDRN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000182520597 822280124 /nfs/dbraw/zinc/28/01/24/822280124.db2.gz ISVUMLBKBFUOSK-UHFFFAOYSA-N 0 0 390.867 4.056 20 10 GICDRN CCCN(Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)Cc1ccccc1O ZINC000182521473 822280766 /nfs/dbraw/zinc/28/07/66/822280766.db2.gz PBKSJNWLZWJOIG-UHFFFAOYSA-N 0 0 396.516 4.217 20 10 GICDRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1ccc(N2CCCC2)cc1 ZINC000178287726 822363589 /nfs/dbraw/zinc/36/35/89/822363589.db2.gz DVDDQPLOSZVHOT-UHFFFAOYSA-N 0 0 392.421 4.087 20 10 GICDRN CCCCCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000045159062 822367435 /nfs/dbraw/zinc/36/74/35/822367435.db2.gz LRQSSHPPTBXPPS-FYWRMAATSA-N 0 0 396.603 4.426 20 10 GICDRN O=[N+]([O-])c1ccn(CCSc2ncc(-c3ccccc3)n2CC(F)(F)F)n1 ZINC000178509459 822386362 /nfs/dbraw/zinc/38/63/62/822386362.db2.gz XMLFXVASOACHCE-UHFFFAOYSA-N 0 0 397.382 4.009 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000045998997 822432577 /nfs/dbraw/zinc/43/25/77/822432577.db2.gz XRHDCVQRARXNAO-UHFFFAOYSA-N 0 0 381.407 4.060 20 10 GICDRN Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183169157 822434800 /nfs/dbraw/zinc/43/48/00/822434800.db2.gz XGBITDAFTTWVPR-INIZCTEOSA-N 0 0 380.467 4.330 20 10 GICDRN Cc1cc([C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CCO2)ccc1F ZINC000179308779 822463986 /nfs/dbraw/zinc/46/39/86/822463986.db2.gz GMKYQZYMOIJTSS-QFIPXVFZSA-N 0 0 397.494 4.017 20 10 GICDRN Cc1ccc(OCc2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)o2)c(C)c1 ZINC000183433709 822474291 /nfs/dbraw/zinc/47/42/91/822474291.db2.gz IGTRKFWHPBVEGQ-INIZCTEOSA-N 0 0 395.455 4.248 20 10 GICDRN COc1ccc(/C=C(\C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000183452597 822477198 /nfs/dbraw/zinc/47/71/98/822477198.db2.gz NQRPKPBXVJVRBJ-BAILOTOSSA-N 0 0 399.462 4.151 20 10 GICDRN CC(=O)c1cc(F)cc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)c1O ZINC000183457027 822477648 /nfs/dbraw/zinc/47/76/48/822477648.db2.gz SRRWPSGPFWBENS-INIZCTEOSA-N 0 0 377.284 4.405 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1COc1ccccc1 ZINC000183473855 822480970 /nfs/dbraw/zinc/48/09/70/822480970.db2.gz AQJRJVPVQHGDMA-MRXNPFEDSA-N 0 0 377.440 4.038 20 10 GICDRN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000183530620 822490670 /nfs/dbraw/zinc/49/06/70/822490670.db2.gz MECBPJJWSHWMCW-UEMQUKQSSA-N 0 0 377.448 4.234 20 10 GICDRN COc1cccc(CNC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1O ZINC000179634945 822516971 /nfs/dbraw/zinc/51/69/71/822516971.db2.gz HFMGLNUFJLATQT-UHFFFAOYSA-N 0 0 390.439 4.324 20 10 GICDRN COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000047040858 822539302 /nfs/dbraw/zinc/53/93/02/822539302.db2.gz JZYDQMWVBLYVKI-UHFFFAOYSA-N 0 0 391.924 4.224 20 10 GICDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000047326831 822566916 /nfs/dbraw/zinc/56/69/16/822566916.db2.gz SDCBAZBQIBUACA-UHFFFAOYSA-N 0 0 387.911 4.179 20 10 GICDRN CC(C)c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000047333445 822567492 /nfs/dbraw/zinc/56/74/92/822567492.db2.gz NFNJVUBIHHBFBD-UHFFFAOYSA-N 0 0 385.483 4.232 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000184032203 822567805 /nfs/dbraw/zinc/56/78/05/822567805.db2.gz OJHCGHRQPKQHIV-RBBKRZOGSA-N 0 0 381.520 4.252 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1Cl ZINC000047335416 822567889 /nfs/dbraw/zinc/56/78/89/822567889.db2.gz SQFZNVLTRPGDFV-UHFFFAOYSA-N 0 0 391.874 4.010 20 10 GICDRN COc1ccc(OC)c(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047336826 822568296 /nfs/dbraw/zinc/56/82/96/822568296.db2.gz IONWOSJNAVBHJL-UHFFFAOYSA-N 0 0 382.416 4.237 20 10 GICDRN CCN(CC)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000047489008 822583809 /nfs/dbraw/zinc/58/38/09/822583809.db2.gz KURTVSGNDRKFCY-UHFFFAOYSA-N 0 0 389.883 4.192 20 10 GICDRN C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179955205 822585238 /nfs/dbraw/zinc/58/52/38/822585238.db2.gz VTKGWYXDNKNAGO-MSOLQXFVSA-N 0 0 399.510 4.061 20 10 GICDRN COc1cc(O)c(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025265 822599689 /nfs/dbraw/zinc/59/96/89/822599689.db2.gz YVZILAIAHUBYPW-KRWDZBQOSA-N 0 0 395.459 4.187 20 10 GICDRN COC(=O)c1coc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000184307849 822611946 /nfs/dbraw/zinc/61/19/46/822611946.db2.gz OLIVPCRDKOZSTJ-HNNXBMFYSA-N 0 0 379.412 4.175 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000180195816 822637265 /nfs/dbraw/zinc/63/72/65/822637265.db2.gz DAMXJFQEOHFNEQ-BMLIUANNSA-N 0 0 384.259 4.009 20 10 GICDRN Cc1ccnn1-c1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000184547241 822655002 /nfs/dbraw/zinc/65/50/02/822655002.db2.gz IYBHPYQOXBAUAM-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN COc1ccccc1OCC(=O)Nc1cccc(NCc2cc(F)ccc2O)c1 ZINC000180303493 822660409 /nfs/dbraw/zinc/66/04/09/822660409.db2.gz MJAZWWSOWGPTPT-UHFFFAOYSA-N 0 0 396.418 4.170 20 10 GICDRN O[C@H](C[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542593 822699101 /nfs/dbraw/zinc/69/91/01/822699101.db2.gz KNTCXNVTZMQCJT-NHCUHLMSSA-N 0 0 386.561 4.063 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573514 822704599 /nfs/dbraw/zinc/70/45/99/822704599.db2.gz NLOGNFGULIKKDX-SFHVURJKSA-N 0 0 381.394 4.302 20 10 GICDRN O=S(=O)(C1=Cc2ccccc2OCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000184880507 822706235 /nfs/dbraw/zinc/70/62/35/822706235.db2.gz VZCWBFDQWKELKC-UHFFFAOYSA-N 0 0 399.512 4.290 20 10 GICDRN COc1ccc([C@H](N[C@H](C)c2cc3c(cc2O)CCCC3)c2nccn2C)cc1 ZINC000184961094 822718773 /nfs/dbraw/zinc/71/87/73/822718773.db2.gz XULIXIUMFNRPOG-MWTRTKDXSA-N 0 0 391.515 4.453 20 10 GICDRN Cc1cc(CSc2ccccc2C(=O)N2CCS[C@@H](C(C)C)C2)on1 ZINC000174286642 822763352 /nfs/dbraw/zinc/76/33/52/822763352.db2.gz WWASKTBUPCUCSN-GOSISDBHSA-N 0 0 376.547 4.489 20 10 GICDRN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000174291973 822764616 /nfs/dbraw/zinc/76/46/16/822764616.db2.gz DQGVGNQGVHTNMZ-JTHBVZDNSA-N 0 0 395.547 4.370 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCOC1CCCC1 ZINC000174454973 822792304 /nfs/dbraw/zinc/79/23/04/822792304.db2.gz JXTKEUSLCOLVIF-UHFFFAOYSA-N 0 0 399.329 4.036 20 10 GICDRN O=C(NCc1ccc(CO)c(F)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000174516204 822799678 /nfs/dbraw/zinc/79/96/78/822799678.db2.gz FOZIHQAHIGHAPZ-UHFFFAOYSA-N 0 0 386.467 4.068 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2oc(C)nc2C)cc1 ZINC000174766835 822834429 /nfs/dbraw/zinc/83/44/29/822834429.db2.gz WOMYWQXVOAEGOR-UHFFFAOYSA-N 0 0 379.460 4.213 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccsc2)cc1 ZINC000053690757 822844936 /nfs/dbraw/zinc/84/49/36/822844936.db2.gz JVDIEYUJSDVDDX-UHFFFAOYSA-N 0 0 393.512 4.339 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOc2ccc(OCC)cc21 ZINC000186062406 822848551 /nfs/dbraw/zinc/84/85/51/822848551.db2.gz SGAQSXXUQGIHBT-LJQANCHMSA-N 0 0 384.476 4.236 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000174874897 822849510 /nfs/dbraw/zinc/84/95/10/822849510.db2.gz MENPTEJZAWDMCR-UHFFFAOYSA-N 0 0 381.476 4.353 20 10 GICDRN Cc1cc(C(=O)NCc2nnc3n2CCCC3)c(C)n1-c1cccc(C(C)C)c1 ZINC000053904172 822852592 /nfs/dbraw/zinc/85/25/92/822852592.db2.gz UWBPMBSUSZXIAQ-UHFFFAOYSA-N 0 0 391.519 4.075 20 10 GICDRN Cc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000174940858 822858667 /nfs/dbraw/zinc/85/86/67/822858667.db2.gz DDUGEJICYHDCLH-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN CCCCOc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000054449810 822887129 /nfs/dbraw/zinc/88/71/29/822887129.db2.gz GEDYGCPOHFRVLP-UHFFFAOYSA-N 0 0 397.519 4.332 20 10 GICDRN COCCCOc1ccccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000054473999 822888403 /nfs/dbraw/zinc/88/84/03/822888403.db2.gz QYSUKHTYTMUBHQ-UHFFFAOYSA-N 0 0 383.492 4.024 20 10 GICDRN Cc1cc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(C)n1-c1ccc(C#N)cc1 ZINC000186427680 822893421 /nfs/dbraw/zinc/89/34/21/822893421.db2.gz ATMNUYGBSZUCDN-VWLOTQADSA-N 0 0 397.478 4.237 20 10 GICDRN COCCn1nc(C)c(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1C ZINC000175174775 822897677 /nfs/dbraw/zinc/89/76/77/822897677.db2.gz UCGDLHPARNFINQ-UHFFFAOYSA-N 0 0 394.519 4.423 20 10 GICDRN CCOc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000054604375 822898258 /nfs/dbraw/zinc/89/82/58/822898258.db2.gz YRDCXZFIXASTAA-UHFFFAOYSA-N 0 0 381.520 4.417 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000175220384 822907760 /nfs/dbraw/zinc/90/77/60/822907760.db2.gz YAWULEIRDWJWMZ-HXUWFJFHSA-N 0 0 384.476 4.394 20 10 GICDRN C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000186665491 822932636 /nfs/dbraw/zinc/93/26/36/822932636.db2.gz VWFJFOQJNOJRQQ-KRWDZBQOSA-N 0 0 399.560 4.172 20 10 GICDRN O=C(Nc1cccc(N2CCCCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000055356543 822954341 /nfs/dbraw/zinc/95/43/41/822954341.db2.gz LVMXHFKJMOXISO-QFIPXVFZSA-N 0 0 380.488 4.487 20 10 GICDRN CCc1nnc(-c2cccc(NC(=O)c3cc(C)n(-c4ccccn4)c3C)c2)o1 ZINC000175402309 822960094 /nfs/dbraw/zinc/96/00/94/822960094.db2.gz CEZCXIGNDKDXIZ-UHFFFAOYSA-N 0 0 387.443 4.354 20 10 GICDRN CNC(=O)Cc1nc(-c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cs1 ZINC000175502978 822985061 /nfs/dbraw/zinc/98/50/61/822985061.db2.gz PREGMVITPQDMNX-UHFFFAOYSA-N 0 0 391.443 4.108 20 10 GICDRN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000187088319 823008976 /nfs/dbraw/zinc/00/89/76/823008976.db2.gz OVONMSIPCWDLSF-HNNXBMFYSA-N 0 0 379.460 4.048 20 10 GICDRN CCc1ccc([C@@H](COC)NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000175631941 823010046 /nfs/dbraw/zinc/01/00/46/823010046.db2.gz BSEPBMUVRMHYBK-OAQYLSRUSA-N 0 0 399.535 4.361 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000187165161 823019855 /nfs/dbraw/zinc/01/98/55/823019855.db2.gz HNHSPFGGWXWCFF-UHFFFAOYSA-N 0 0 395.503 4.118 20 10 GICDRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCC3)nc2)SC1=S ZINC000123927219 823552229 /nfs/dbraw/zinc/55/22/29/823552229.db2.gz YQNROXBOCSDBDS-JFBHYCPVSA-N 0 0 387.574 4.462 20 10 GICDRN CCN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cn1 ZINC000190240044 823554591 /nfs/dbraw/zinc/55/45/91/823554591.db2.gz KCKNTSWYSRTKLV-SFQUDFHCSA-N 0 0 398.557 4.010 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 ZINC000061036164 823574829 /nfs/dbraw/zinc/57/48/29/823574829.db2.gz ZUIXECMLAXGRFB-UHFFFAOYSA-N 0 0 378.428 4.126 20 10 GICDRN O=C(Nc1cccc(C(F)(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124178010 823574855 /nfs/dbraw/zinc/57/48/55/823574855.db2.gz RCFSIPSBKYRGJV-CQSZACIVSA-N 0 0 395.381 4.019 20 10 GICDRN O=C(Nc1cccc(Cl)c1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124395954 823593264 /nfs/dbraw/zinc/59/32/64/823593264.db2.gz QSBYGLHDOCQODY-CQSZACIVSA-N 0 0 378.831 4.398 20 10 GICDRN Cc1cc(C(=O)NCCCn2cnc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000061529696 823601839 /nfs/dbraw/zinc/60/18/39/823601839.db2.gz PZLKEUMHQBDRQS-UHFFFAOYSA-N 0 0 390.462 4.403 20 10 GICDRN Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190823725 823613342 /nfs/dbraw/zinc/61/33/42/823613342.db2.gz WTGUKNOSGLDYJR-UHFFFAOYSA-N 0 0 375.476 4.103 20 10 GICDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1OCC(F)(F)F ZINC000190964908 823631584 /nfs/dbraw/zinc/63/15/84/823631584.db2.gz LWZFYNGWZXXYND-GFCCVEGCSA-N 0 0 398.381 4.100 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000125086514 823650892 /nfs/dbraw/zinc/65/08/92/823650892.db2.gz GAFKESQDWOQOMU-OAHLLOKOSA-N 0 0 387.430 4.225 20 10 GICDRN Cc1ccnc(Oc2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2)n1 ZINC000125111712 823652330 /nfs/dbraw/zinc/65/23/30/823652330.db2.gz OCVXHSWYUYNEHQ-UHFFFAOYSA-N 0 0 395.438 4.104 20 10 GICDRN CCN(Cc1ccccc1)c1ccc(CNc2nnc(-c3nccn3C)o2)cc1 ZINC000191133920 823652548 /nfs/dbraw/zinc/65/25/48/823652548.db2.gz HTVJYVZCWAANII-UHFFFAOYSA-N 0 0 388.475 4.109 20 10 GICDRN Cc1oc(-c2ccco2)nc1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125304758 823666589 /nfs/dbraw/zinc/66/65/89/823666589.db2.gz GNYKDLZVJIQKRO-UHFFFAOYSA-N 0 0 392.411 4.313 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCc1cc(C)ccc1OC(F)F ZINC000125582008 823687128 /nfs/dbraw/zinc/68/71/28/823687128.db2.gz XMFHDGCQTXAEJU-UHFFFAOYSA-N 0 0 378.419 4.424 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc(OC)c1OC ZINC000125755044 823704681 /nfs/dbraw/zinc/70/46/81/823704681.db2.gz LHQGRZHDQVDYDG-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN O=S(=O)(Nc1cccc(C(F)F)c1Cl)c1cccc2nsnc21 ZINC000574438474 823729384 /nfs/dbraw/zinc/72/93/84/823729384.db2.gz BKFIXXDASFAQJU-UHFFFAOYSA-N 0 0 375.809 4.083 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)NCc2cnn(-c3ccccc3)c2)s1 ZINC000164181291 823784268 /nfs/dbraw/zinc/78/42/68/823784268.db2.gz WLITVGWOPZDUNO-UHFFFAOYSA-N 0 0 386.546 4.035 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@@H](c3cccc(Br)c3)C2)c1O ZINC000164241116 823788648 /nfs/dbraw/zinc/78/86/48/823788648.db2.gz ZMEHHNWBIDCQRK-GOSISDBHSA-N 0 0 392.293 4.045 20 10 GICDRN CCOc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 ZINC000164303301 823794679 /nfs/dbraw/zinc/79/46/79/823794679.db2.gz FEUQWVJQAFJGAN-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN CCOc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000164315899 823795614 /nfs/dbraw/zinc/79/56/14/823795614.db2.gz CQJXAYNATIAYCU-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN CC(=O)N1CCN(c2ccc(CNc3nc(-c4ccccc4)cs3)cc2)CC1 ZINC000191856994 823797358 /nfs/dbraw/zinc/79/73/58/823797358.db2.gz LTXNSARLFBLKFB-UHFFFAOYSA-N 0 0 392.528 4.091 20 10 GICDRN Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1O ZINC000574836078 823837977 /nfs/dbraw/zinc/83/79/77/823837977.db2.gz JETRKNDHKWKRFF-UHFFFAOYSA-N 0 0 377.488 4.061 20 10 GICDRN COc1ccc2[nH]cc(C3=CCN(c4c(OC)cccc4[N+](=O)[O-])CC3)c2c1 ZINC000575024456 823891194 /nfs/dbraw/zinc/89/11/94/823891194.db2.gz CDYFGUJOZQHBLW-UHFFFAOYSA-N 0 0 379.416 4.387 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CNC(=O)CC1CCCC1 ZINC000126746461 823941039 /nfs/dbraw/zinc/94/10/39/823941039.db2.gz WSHCZNLZSFKZCG-SFHVURJKSA-N 0 0 394.515 4.179 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170695302 823943128 /nfs/dbraw/zinc/94/31/28/823943128.db2.gz FFJMWEFEFBRHRS-FGZHOGPDSA-N 0 0 381.520 4.204 20 10 GICDRN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(O)c(O)c3)cs2)CC1 ZINC000192399059 823970875 /nfs/dbraw/zinc/97/08/75/823970875.db2.gz KLQDRITUIQRCMZ-UHFFFAOYSA-N 0 0 376.478 4.336 20 10 GICDRN CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000170818423 823979035 /nfs/dbraw/zinc/97/90/35/823979035.db2.gz UCLMHEJPLIWADB-NHCUHLMSSA-N 0 0 382.504 4.104 20 10 GICDRN CC(=O)N1CCC(CNC(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CC1 ZINC000170895321 824002281 /nfs/dbraw/zinc/00/22/81/824002281.db2.gz OGXAKTWCLQQPDJ-UHFFFAOYSA-N 0 0 395.547 4.206 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000127030523 824003593 /nfs/dbraw/zinc/00/35/93/824003593.db2.gz MFIARPDCTNMDMN-NRFANRHFSA-N 0 0 399.560 4.268 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)CC1 ZINC000170974880 824024932 /nfs/dbraw/zinc/02/49/32/824024932.db2.gz CJCTUJIORHKOIG-UHFFFAOYSA-N 0 0 376.504 4.048 20 10 GICDRN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000171009446 824035978 /nfs/dbraw/zinc/03/59/78/824035978.db2.gz HNJYGAYGWNORKF-IRLDBZIGSA-N 0 0 375.472 4.139 20 10 GICDRN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000171009442 824036090 /nfs/dbraw/zinc/03/60/90/824036090.db2.gz HNJYGAYGWNORKF-UNMCSNQZSA-N 0 0 375.472 4.139 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3cccn3Cc3cccs3)CC2)cc1 ZINC000171018412 824038975 /nfs/dbraw/zinc/03/89/75/824038975.db2.gz DCVBXBHSURWDMP-UHFFFAOYSA-N 0 0 395.528 4.005 20 10 GICDRN CCO[C@@H](C)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764850 823059729 /nfs/dbraw/zinc/05/97/29/823059729.db2.gz BEOGTWOALBNVIF-YJBOKZPZSA-N 0 0 376.522 4.127 20 10 GICDRN Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1ccc(F)cc1 ZINC000120770954 823060559 /nfs/dbraw/zinc/06/05/59/823060559.db2.gz DCYPRGFTEJHDMB-UHFFFAOYSA-N 0 0 383.448 4.006 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000175906105 823069010 /nfs/dbraw/zinc/06/90/10/823069010.db2.gz IMGDVXGEKUDASK-AUSIDOKSSA-N 0 0 394.515 4.238 20 10 GICDRN Cc1noc([C@@H](OC(=O)c2cc(C)n(-c3ccccn3)c2C)c2ccccc2)n1 ZINC000176088144 823116627 /nfs/dbraw/zinc/11/66/27/823116627.db2.gz WMRJGRLRBPXQCI-FQEVSTJZSA-N 0 0 388.427 4.127 20 10 GICDRN C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccccc1O)Oc1cccc(F)c1 ZINC000176100373 823120255 /nfs/dbraw/zinc/12/02/55/823120255.db2.gz DKNGDNKYXINIQQ-MRXNPFEDSA-N 0 0 398.434 4.304 20 10 GICDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000176155023 823138025 /nfs/dbraw/zinc/13/80/25/823138025.db2.gz XCXLRCYPZXTHAH-UKRRQHHQSA-N 0 0 379.909 4.418 20 10 GICDRN COc1ccc([C@@H](C)CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000176154882 823138123 /nfs/dbraw/zinc/13/81/23/823138123.db2.gz URXSDKREDHYCAH-UWJYYQICSA-N 0 0 383.488 4.102 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000121238522 823145070 /nfs/dbraw/zinc/14/50/70/823145070.db2.gz CXUKFQKQCGTUQM-HNNXBMFYSA-N 0 0 380.448 4.125 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000056541762 823164868 /nfs/dbraw/zinc/16/48/68/823164868.db2.gz QHAMAKGESGJSDZ-UHFFFAOYSA-N 0 0 377.847 4.232 20 10 GICDRN CN(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 ZINC000121383792 823174667 /nfs/dbraw/zinc/17/46/67/823174667.db2.gz WWYRKXRISVGUBE-UHFFFAOYSA-N 0 0 378.215 4.409 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccccc3OC(C)C)CC2)cc1 ZINC000056616577 823181810 /nfs/dbraw/zinc/18/18/10/823181810.db2.gz BACVOSXAAPSBCM-UHFFFAOYSA-N 0 0 383.492 4.227 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(N(C)C(=O)OC)cc2)cc1 ZINC000056730046 823201578 /nfs/dbraw/zinc/20/15/78/823201578.db2.gz HWLBURNFDBEUBX-UHFFFAOYSA-N 0 0 384.480 4.057 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000056865008 823225145 /nfs/dbraw/zinc/22/51/45/823225145.db2.gz WKCZNDLGGVJTME-UHFFFAOYSA-N 0 0 381.501 4.039 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000121888794 823270637 /nfs/dbraw/zinc/27/06/37/823270637.db2.gz CPACZPSBWZXHDL-DENIHFKCSA-N 0 0 399.510 4.391 20 10 GICDRN CC(C)C[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121934342 823280052 /nfs/dbraw/zinc/28/00/52/823280052.db2.gz QORHCXSGIUFTTE-WZMONFQBSA-N 0 0 396.603 4.280 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000057380955 823285559 /nfs/dbraw/zinc/28/55/59/823285559.db2.gz BVFRFTDZBIDEPZ-UHFFFAOYSA-N 0 0 395.890 4.424 20 10 GICDRN CCc1cccc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 ZINC000122047787 823298562 /nfs/dbraw/zinc/29/85/62/823298562.db2.gz ZKEQZCPAAKBSTH-UHFFFAOYSA-N 0 0 388.458 4.178 20 10 GICDRN CCCn1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000188759474 823298966 /nfs/dbraw/zinc/29/89/66/823298966.db2.gz RRXDCZZMQRJSKN-UHFFFAOYSA-N 0 0 391.515 4.160 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000188779345 823303628 /nfs/dbraw/zinc/30/36/28/823303628.db2.gz FSUPQSBFBKCHAE-LBPRGKRZSA-N 0 0 377.400 4.028 20 10 GICDRN CC(C)[C@H](C)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000011647384 818104517 /nfs/dbraw/zinc/10/45/17/818104517.db2.gz SIROGQMJILIGJQ-INIZCTEOSA-N 0 0 383.517 4.444 20 10 GICDRN Cc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)cc2)NC1=S ZINC000015282544 818306132 /nfs/dbraw/zinc/30/61/32/818306132.db2.gz IDBDVPKEFJDMOM-XDJHFCHBSA-N 0 0 377.513 4.248 20 10 GICDRN CN(Cc1csc(-c2cccs2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571751 818340488 /nfs/dbraw/zinc/34/04/88/818340488.db2.gz HXMJUULNCIWCME-UHFFFAOYSA-N 0 0 385.558 4.340 20 10 GICDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000122347189 823341833 /nfs/dbraw/zinc/34/18/33/823341833.db2.gz XIQUPIOBUNGMAD-UHFFFAOYSA-N 0 0 392.480 4.141 20 10 GICDRN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S ZINC000018063141 818541979 /nfs/dbraw/zinc/54/19/79/818541979.db2.gz NXKOQXANEXOKQW-SFQUDFHCSA-N 0 0 392.509 4.155 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)ccc21 ZINC000460299214 823344796 /nfs/dbraw/zinc/34/47/96/823344796.db2.gz RXSBSEAMSACJMZ-AWEZNQCLSA-N 0 0 396.462 4.471 20 10 GICDRN Cc1cc(C(=O)OCc2nc(-c3cccnc3)no2)c(C)n1-c1ccc(F)cc1 ZINC000021334125 818677206 /nfs/dbraw/zinc/67/72/06/818677206.db2.gz NHEPIKWKUJWWFE-UHFFFAOYSA-N 0 0 392.390 4.035 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1-c1nncn1CC ZINC000177020500 823350931 /nfs/dbraw/zinc/35/09/31/823350931.db2.gz DCLRVURNODEEEB-UHFFFAOYSA-N 0 0 379.464 4.115 20 10 GICDRN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCc2ccccc21 ZINC000022737539 818853929 /nfs/dbraw/zinc/85/39/29/818853929.db2.gz AKFAAFRYOWFOLG-UHFFFAOYSA-N 0 0 380.451 4.196 20 10 GICDRN O=C(CSc1nn(-c2ccccc2)c(=S)s1)c1ccc(O)c(O)c1 ZINC000023589383 818961511 /nfs/dbraw/zinc/96/15/11/818961511.db2.gz AZQUKUZCOQAFMU-UHFFFAOYSA-N 0 0 376.484 4.049 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(OCc3cscn3)c2)cc1 ZINC000023745101 818979344 /nfs/dbraw/zinc/97/93/44/818979344.db2.gz WGVTZONTNAVUKK-UHFFFAOYSA-N 0 0 381.501 4.060 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000024327944 819046980 /nfs/dbraw/zinc/04/69/80/819046980.db2.gz NFEQSFTVADETGG-UHFFFAOYSA-N 0 0 399.498 4.157 20 10 GICDRN O[C@@H](CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)CC(F)(F)F ZINC000189341735 823397281 /nfs/dbraw/zinc/39/72/81/823397281.db2.gz GZOUQEDHFRZYCQ-CABCVRRESA-N 0 0 386.439 4.135 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c(C)n1-c1ccccn1 ZINC000122720644 823399848 /nfs/dbraw/zinc/39/98/48/823399848.db2.gz GAGCLUIYGSGWOX-QGZVFWFLSA-N 0 0 393.512 4.428 20 10 GICDRN O=C(NCc1sccc1Br)NCc1ccc(N2CCCC2)cc1 ZINC000058587032 823413172 /nfs/dbraw/zinc/41/31/72/823413172.db2.gz TZCYPIZMIQBJHD-UHFFFAOYSA-N 0 0 394.338 4.110 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc(N)cc1 ZINC000189448025 823419106 /nfs/dbraw/zinc/41/91/06/823419106.db2.gz RLFXFZOLHKLRSO-AWEZNQCLSA-N 0 0 395.409 4.280 20 10 GICDRN Cc1cccc2c1N(C(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1)CC2 ZINC000189445791 823418456 /nfs/dbraw/zinc/41/84/56/823418456.db2.gz VGETVAMZTFJKNH-SFHVURJKSA-N 0 0 399.494 4.261 20 10 GICDRN Cc1ccc(F)c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1 ZINC000189448589 823419440 /nfs/dbraw/zinc/41/94/40/823419440.db2.gz WWJJBOSAUAVETL-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189458080 823421390 /nfs/dbraw/zinc/42/13/90/823421390.db2.gz FICCTGIUEFJMBQ-CYBMUJFWSA-N 0 0 395.421 4.433 20 10 GICDRN Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccc(F)cc1 ZINC000024948734 819898996 /nfs/dbraw/zinc/89/89/96/819898996.db2.gz YEHWSXHUMFKASY-UHFFFAOYSA-N 0 0 393.462 4.219 20 10 GICDRN COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F ZINC000026346318 820086368 /nfs/dbraw/zinc/08/63/68/820086368.db2.gz SIZMELJGHCLZGG-UHFFFAOYSA-N 0 0 384.382 4.411 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3ccccc3OC)c2C)cc1 ZINC000027103695 820194406 /nfs/dbraw/zinc/19/44/06/820194406.db2.gz OPXOMIWPVVQYGR-UHFFFAOYSA-N 0 0 378.472 4.084 20 10 GICDRN Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]c2c1C(=O)CCC2 ZINC000027157506 820202409 /nfs/dbraw/zinc/20/24/09/820202409.db2.gz VVUIFRIPESKWQJ-UHFFFAOYSA-N 0 0 379.504 4.105 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3c3ccncc3)c2C)cc1 ZINC000027279475 820219521 /nfs/dbraw/zinc/21/95/21/820219521.db2.gz HNVXYMAYALPPGO-JOCHJYFZSA-N 0 0 375.472 4.475 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)cc1 ZINC000027380142 820235483 /nfs/dbraw/zinc/23/54/83/820235483.db2.gz SEORXZWHTZABGP-UHFFFAOYSA-N 0 0 378.497 4.317 20 10 GICDRN Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c(C)n1-c1ccccc1C ZINC000123124610 823466126 /nfs/dbraw/zinc/46/61/26/823466126.db2.gz KKHSGLNXNYMMOD-UHFFFAOYSA-N 0 0 389.499 4.071 20 10 GICDRN COc1ccc2nc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)sc2c1 ZINC000028838575 820362281 /nfs/dbraw/zinc/36/22/81/820362281.db2.gz PGGROZMGUHACMU-UHFFFAOYSA-N 0 0 378.413 4.121 20 10 GICDRN COc1ccc(N2C(=O)/C(=C\c3ccc(-n4ccnc4)cc3)SC2=S)cc1 ZINC000028963776 820377675 /nfs/dbraw/zinc/37/76/75/820377675.db2.gz HNJDAMISQYLVOY-LDADJPATSA-N 0 0 393.493 4.287 20 10 GICDRN Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1cccc(C)c1 ZINC000029160761 820402884 /nfs/dbraw/zinc/40/28/84/820402884.db2.gz XDUDRHYCDSBRQF-UHFFFAOYSA-N 0 0 397.500 4.026 20 10 GICDRN CCOc1ccc(-c2nc(CC(=O)NCc3ccc(N(C)C)cc3)cs2)cc1 ZINC000030523609 820630762 /nfs/dbraw/zinc/63/07/62/820630762.db2.gz BTJCUYZFZGFKGE-UHFFFAOYSA-N 0 0 395.528 4.134 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc(CSC)cc3)CC2)cc1F ZINC000123392221 823504835 /nfs/dbraw/zinc/50/48/35/823504835.db2.gz REHNDCUEEYPHTI-UHFFFAOYSA-N 0 0 389.496 4.051 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 ZINC000031726367 820852545 /nfs/dbraw/zinc/85/25/45/820852545.db2.gz HQIJNFRRKVUGCW-CYBMUJFWSA-N 0 0 376.298 4.076 20 10 GICDRN Cc1cc(C(=O)Nc2ccccc2C(=O)N(C)C)c(C)n1-c1ccccc1C ZINC000123445728 823509766 /nfs/dbraw/zinc/50/97/66/823509766.db2.gz BYJLTNJAHMNZHG-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN O=C(NCc1ccn2ccnc2c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000177776647 823524427 /nfs/dbraw/zinc/52/44/27/823524427.db2.gz HAWQDIFIEHNJKM-UHFFFAOYSA-N 0 0 378.476 4.084 20 10 GICDRN COc1cc(C(=O)N(C)Cc2ccccc2O)ccc1OCc1ccccc1 ZINC000042116834 821268382 /nfs/dbraw/zinc/26/83/82/821268382.db2.gz SXZQUZYMJHFELK-UHFFFAOYSA-N 0 0 377.440 4.252 20 10 GICDRN CC(C)c1nccn1Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180670739 821389566 /nfs/dbraw/zinc/38/95/66/821389566.db2.gz QPDBHYQCAYPIJC-VQHVLOKHSA-N 0 0 377.444 4.118 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342812 821395561 /nfs/dbraw/zinc/39/55/61/821395561.db2.gz KHNHYPIIACGGMY-UHFFFAOYSA-N 0 0 376.844 4.368 20 10 GICDRN COc1cc(N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OC ZINC000180758097 821438080 /nfs/dbraw/zinc/43/80/80/821438080.db2.gz VZBRQZKNGKYVHU-UHFFFAOYSA-N 0 0 381.476 4.151 20 10 GICDRN CCCc1cnc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000180829895 821484795 /nfs/dbraw/zinc/48/47/95/821484795.db2.gz JCFNQIJPEWGDED-HNNXBMFYSA-N 0 0 375.494 4.014 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000181090643 821627739 /nfs/dbraw/zinc/62/77/39/821627739.db2.gz WPNMNDKCQPXKBV-LKXQCNMVSA-N 0 0 393.464 4.058 20 10 GICDRN Cc1ccc(CCN(Cc2ccco2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181136744 821656553 /nfs/dbraw/zinc/65/65/53/821656553.db2.gz NNTZYCATWIMQMU-PKNBQFBNSA-N 0 0 377.440 4.284 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(C(F)F)n2C)c(C)n1-c1ccc(F)cc1 ZINC000181219239 821703912 /nfs/dbraw/zinc/70/39/12/821703912.db2.gz CAMZLSQXGFYQOO-UHFFFAOYSA-N 0 0 394.422 4.274 20 10 GICDRN C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000181314648 821752832 /nfs/dbraw/zinc/75/28/32/821752832.db2.gz APMKRVHLKVOGSA-OAHLLOKOSA-N 0 0 398.507 4.032 20 10 GICDRN O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(OC(F)(F)F)c1 ZINC000181360849 821787354 /nfs/dbraw/zinc/78/73/54/821787354.db2.gz RCFAOSIIKJPZKP-QPEQYQDCSA-N 0 0 382.388 4.386 20 10 GICDRN COc1ccc(O)c([C@H](C)NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000182337561 822207168 /nfs/dbraw/zinc/20/71/68/822207168.db2.gz BGCLTPYXVKEXCD-NSHDSACASA-N 0 0 393.365 4.320 20 10 GICDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000182465347 822253360 /nfs/dbraw/zinc/25/33/60/822253360.db2.gz ULFNVAIZMIBYAO-NRFANRHFSA-N 0 0 395.551 4.454 20 10 GICDRN CC(=O)c1cc(F)cc(CN[C@@H](c2cccc(F)c2F)C(F)(F)F)c1O ZINC000182609989 822321430 /nfs/dbraw/zinc/32/14/30/822321430.db2.gz PSYFWLXUOLMEFW-INIZCTEOSA-N 0 0 377.284 4.405 20 10 GICDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178193963 822348664 /nfs/dbraw/zinc/34/86/64/822348664.db2.gz HKMXZURRWNWAML-UHFFFAOYSA-N 0 0 390.487 4.107 20 10 GICDRN COc1ccc(OC(F)F)c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000182799108 822369423 /nfs/dbraw/zinc/36/94/23/822369423.db2.gz GBNPVMOFPWUDDK-CYBMUJFWSA-N 0 0 396.409 4.445 20 10 GICDRN CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(Cl)c1 ZINC000045963991 822427874 /nfs/dbraw/zinc/42/78/74/822427874.db2.gz MXEXEYRBNXEZEK-UHFFFAOYSA-N 0 0 389.864 4.005 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NOCc1ccc(C(F)(F)F)cc1 ZINC000179000546 822428363 /nfs/dbraw/zinc/42/83/63/822428363.db2.gz GWIPWFGLSKNFKO-UHFFFAOYSA-N 0 0 393.409 4.237 20 10 GICDRN CCOCc1cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)ccc1OC ZINC000179084042 822436555 /nfs/dbraw/zinc/43/65/55/822436555.db2.gz NUKKKDHRBYHKGZ-IBGZPJMESA-N 0 0 387.867 4.147 20 10 GICDRN C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000179495708 822490897 /nfs/dbraw/zinc/49/08/97/822490897.db2.gz FDJXVLJBHLUVCS-SAPNQHFASA-N 0 0 398.934 4.268 20 10 GICDRN C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000179495645 822491015 /nfs/dbraw/zinc/49/10/15/822491015.db2.gz MGZUEPCWZQADJM-GHRIWEEISA-N 0 0 398.934 4.268 20 10 GICDRN CCOc1ccc(O)c(CN(CC)CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000179605812 822511594 /nfs/dbraw/zinc/51/15/94/822511594.db2.gz KPIXZUQNEDYCBD-UHFFFAOYSA-N 0 0 396.409 4.270 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(Cl)cc1F ZINC000047036749 822538612 /nfs/dbraw/zinc/53/86/12/822538612.db2.gz WXTWXVXCUKILPE-UHFFFAOYSA-N 0 0 379.888 4.354 20 10 GICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179778840 822551289 /nfs/dbraw/zinc/55/12/89/822551289.db2.gz IAJISVXFTZXVDB-LBPRGKRZSA-N 0 0 377.275 4.121 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000179810068 822557381 /nfs/dbraw/zinc/55/73/81/822557381.db2.gz SKXGQMIRUUUELT-UHFFFAOYSA-N 0 0 397.519 4.301 20 10 GICDRN COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000047320024 822565086 /nfs/dbraw/zinc/56/50/86/822565086.db2.gz ZINCMKVEMYUMNH-UHFFFAOYSA-N 0 0 397.387 4.136 20 10 GICDRN C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179854796 822566839 /nfs/dbraw/zinc/56/68/39/822566839.db2.gz NXSJLZFBXGVFHL-KRWDZBQOSA-N 0 0 397.494 4.352 20 10 GICDRN CC(C)Cc1nnc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000047349389 822569680 /nfs/dbraw/zinc/56/96/80/822569680.db2.gz LMDOMVAZIOXNTC-UHFFFAOYSA-N 0 0 386.477 4.270 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000047350441 822569947 /nfs/dbraw/zinc/56/99/47/822569947.db2.gz RMFVHBIFNGBCOR-UHFFFAOYSA-N 0 0 386.502 4.200 20 10 GICDRN CC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000047388750 822573711 /nfs/dbraw/zinc/57/37/11/822573711.db2.gz HSOGVTZDEXDDLA-UHFFFAOYSA-N 0 0 379.416 4.178 20 10 GICDRN CC(C)Cn1ncnc1CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000180023989 822599146 /nfs/dbraw/zinc/59/91/46/822599146.db2.gz NTAQQRVHTAZICE-SFHVURJKSA-N 0 0 397.548 4.269 20 10 GICDRN Cc1cc(C(=O)NCc2nnc(C)n2C2CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000180202764 822638830 /nfs/dbraw/zinc/63/88/30/822638830.db2.gz AJUYVEVWYOQSNI-UHFFFAOYSA-N 0 0 391.519 4.382 20 10 GICDRN O=S(=O)(Cc1ccccc1)Cc1cccc(NCc2cc(F)ccc2O)c1 ZINC000180360581 822670250 /nfs/dbraw/zinc/67/02/50/822670250.db2.gz FQQWJKHTCGFYOY-UHFFFAOYSA-N 0 0 385.460 4.258 20 10 GICDRN COc1cc(Cl)cc(CN[C@@H](c2noc(C)n2)c2ccc(Cl)cc2)c1O ZINC000184711007 822680587 /nfs/dbraw/zinc/68/05/87/822680587.db2.gz HXZGFZPPLZWHMF-MRXNPFEDSA-N 0 0 394.258 4.278 20 10 GICDRN COc1cc(F)cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000180553295 822701061 /nfs/dbraw/zinc/70/10/61/822701061.db2.gz HJSZYYCKJOOYIU-UHFFFAOYSA-N 0 0 384.407 4.045 20 10 GICDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000185060544 822730859 /nfs/dbraw/zinc/73/08/59/822730859.db2.gz ZDAQZCDXIOGKSJ-CYBMUJFWSA-N 0 0 398.400 4.238 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000185387318 822776715 /nfs/dbraw/zinc/77/67/15/822776715.db2.gz QZQIWIPWGRZXCL-GFCCVEGCSA-N 0 0 385.851 4.073 20 10 GICDRN CCN(Cc1noc(-c2ccsc2)n1)Cc1cc(Br)ccc1O ZINC000174424753 822788193 /nfs/dbraw/zinc/78/81/93/822788193.db2.gz CWQKWCADNPTRHP-UHFFFAOYSA-N 0 0 394.294 4.288 20 10 GICDRN Cc1oc(-c2cccs2)nc1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516290 822799786 /nfs/dbraw/zinc/79/97/86/822799786.db2.gz BNJMLASBOIMHOI-UHFFFAOYSA-N 0 0 382.485 4.155 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000052807212 822811581 /nfs/dbraw/zinc/81/15/81/822811581.db2.gz MXRGXASNSJTVQZ-UHFFFAOYSA-N 0 0 378.501 4.065 20 10 GICDRN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000052807189 822811637 /nfs/dbraw/zinc/81/16/37/822811637.db2.gz SNBXBCUWYMEXIT-UHFFFAOYSA-N 0 0 394.544 4.010 20 10 GICDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1noc(C(C)C)n1 ZINC000052890089 822814412 /nfs/dbraw/zinc/81/44/12/822814412.db2.gz MNXKBHIDPMFNIX-UHFFFAOYSA-N 0 0 386.477 4.140 20 10 GICDRN COc1ccc2oc([C@H](C)NC(=O)NCc3cccc(OC)c3O)c(C)c2c1 ZINC000174780019 822836000 /nfs/dbraw/zinc/83/60/00/822836000.db2.gz VXOXTABPRZNSOW-ZDUSSCGKSA-N 0 0 384.432 4.024 20 10 GICDRN CN(CC1CC1)C(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000053714628 822845543 /nfs/dbraw/zinc/84/55/43/822845543.db2.gz CVEZNIGQGLWHPL-UHFFFAOYSA-N 0 0 381.501 4.152 20 10 GICDRN COCc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1 ZINC000174913142 822854872 /nfs/dbraw/zinc/85/48/72/822854872.db2.gz GSYSNKKRKDTZCK-RIYZIHGNSA-N 0 0 376.890 4.287 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1Cl ZINC000175082311 822879023 /nfs/dbraw/zinc/87/90/23/822879023.db2.gz WSYJEUCUJZDGDW-UHFFFAOYSA-N 0 0 399.922 4.236 20 10 GICDRN Cc1cc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c(C)n1-c1ccc(C#N)cc1 ZINC000186427661 822893434 /nfs/dbraw/zinc/89/34/34/822893434.db2.gz ATMNUYGBSZUCDN-RUZDIDTESA-N 0 0 397.478 4.237 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000054567224 822895909 /nfs/dbraw/zinc/89/59/09/822895909.db2.gz DRJDQPNHKPCQLD-HSZRJFAPSA-N 0 0 393.531 4.178 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2cc(C)ccc2O)c1 ZINC000186492453 822904378 /nfs/dbraw/zinc/90/43/78/822904378.db2.gz ZVGATXSBNSMYRW-CVEARBPZSA-N 0 0 376.522 4.092 20 10 GICDRN Cn1cccc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175322016 822934626 /nfs/dbraw/zinc/93/46/26/822934626.db2.gz HIUDPYZBTWJAMG-NRFANRHFSA-N 0 0 398.576 4.015 20 10 GICDRN C[C@@H](NCc1cc(COC(C)(C)C)on1)c1cc(Br)ccc1O ZINC000186824435 822961993 /nfs/dbraw/zinc/96/19/93/822961993.db2.gz QAMQNNFLKRKABJ-LLVKDONJSA-N 0 0 383.286 4.309 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC=C(c4ccco4)C3)ccc21 ZINC000569797021 822970242 /nfs/dbraw/zinc/97/02/42/822970242.db2.gz PUGMQHNDKFAYRZ-UHFFFAOYSA-N 0 0 378.472 4.427 20 10 GICDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)cccc3Cl)cc2F)C[C@H](C)O1 ZINC000055529689 822975170 /nfs/dbraw/zinc/97/51/70/822975170.db2.gz DXTZEKFZLLIFKO-BETUJISGSA-N 0 0 394.849 4.162 20 10 GICDRN CCN(CC)C(=O)c1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175603912 823005161 /nfs/dbraw/zinc/00/51/61/823005161.db2.gz RTDRGKSIQUNCSM-UHFFFAOYSA-N 0 0 395.503 4.075 20 10 GICDRN C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1cccs1 ZINC000175759766 823033167 /nfs/dbraw/zinc/03/31/67/823033167.db2.gz QXLZMVNXAXEILV-WMZOPIPTSA-N 0 0 388.533 4.023 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)c2C)cc1 ZINC000123816688 823542926 /nfs/dbraw/zinc/54/29/26/823542926.db2.gz URWGTZKXDHBRCR-KSFYIVLOSA-N 0 0 392.503 4.023 20 10 GICDRN CN(C)c1ccc(CNC(=O)CSCc2cc(-c3cccs3)on2)cc1 ZINC000061133597 823579674 /nfs/dbraw/zinc/57/96/74/823579674.db2.gz HEAKHZLTZBHZFY-UHFFFAOYSA-N 0 0 387.530 4.019 20 10 GICDRN CCC(CC)n1nccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000124574560 823607669 /nfs/dbraw/zinc/60/76/69/823607669.db2.gz MMSIWMOQPFZWQX-NRFANRHFSA-N 0 0 398.551 4.132 20 10 GICDRN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCc2c1cccc2F ZINC000461287035 823611877 /nfs/dbraw/zinc/61/18/77/823611877.db2.gz VXAKLOQNDTVVQG-UHFFFAOYSA-N 0 0 384.414 4.276 20 10 GICDRN CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1O ZINC000124681328 823616815 /nfs/dbraw/zinc/61/68/15/823616815.db2.gz UQLGHAURVPGNAS-KRWDZBQOSA-N 0 0 391.265 4.083 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)CC2)cc1 ZINC000124695690 823618268 /nfs/dbraw/zinc/61/82/68/823618268.db2.gz XZPRSQLKGBWWQV-UHFFFAOYSA-N 0 0 397.519 4.010 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000124738806 823622419 /nfs/dbraw/zinc/62/24/19/823622419.db2.gz LBLAVKQOWPBSDA-UHFFFAOYSA-N 0 0 398.247 4.228 20 10 GICDRN Cc1nc(-c2cccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2)oc1C ZINC000190951725 823629519 /nfs/dbraw/zinc/62/95/19/823629519.db2.gz WLLZEJIYVHWNRO-GFCCVEGCSA-N 0 0 381.432 4.122 20 10 GICDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OCC(F)(F)F)c1 ZINC000190952542 823629593 /nfs/dbraw/zinc/62/95/93/823629593.db2.gz GENPWZIKSAPJIF-GFCCVEGCSA-N 0 0 398.381 4.100 20 10 GICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000125010063 823644818 /nfs/dbraw/zinc/64/48/18/823644818.db2.gz NCJSGRUZAPNZLN-UXBLZVDNSA-N 0 0 397.828 4.405 20 10 GICDRN O=C(NCc1cccc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000125094845 823651351 /nfs/dbraw/zinc/65/13/51/823651351.db2.gz CMBMFDNVXFEMSF-NRFANRHFSA-N 0 0 390.483 4.436 20 10 GICDRN O=C(Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1)C1CC1 ZINC000125348428 823669814 /nfs/dbraw/zinc/66/98/14/823669814.db2.gz CXSKFGGBHBWZQU-UHFFFAOYSA-N 0 0 390.439 4.176 20 10 GICDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000125457782 823677732 /nfs/dbraw/zinc/67/77/32/823677732.db2.gz LTMPNJUMPKANDZ-RBUKOAKNSA-N 0 0 393.622 4.055 20 10 GICDRN O=C(c1ccccc1SCc1cccs1)N1CCS[C@H]2COCC[C@@H]21 ZINC000125460550 823677922 /nfs/dbraw/zinc/67/79/22/823677922.db2.gz JLQOMOGOOANFHC-WMZOPIPTSA-N 0 0 391.583 4.387 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccc2ccccc21 ZINC000063798155 823697771 /nfs/dbraw/zinc/69/77/71/823697771.db2.gz ILXXGFUPYSJBHL-UHFFFAOYSA-N 0 0 389.499 4.018 20 10 GICDRN CC(=O)N1CCc2sc(C(=O)CSc3ncc(C(C)(C)C)s3)cc2C1 ZINC000163345132 823702846 /nfs/dbraw/zinc/70/28/46/823702846.db2.gz ITUULFNOKPMGMY-UHFFFAOYSA-N 0 0 394.587 4.382 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1COc2ccccc21 ZINC000163550537 823720355 /nfs/dbraw/zinc/72/03/55/823720355.db2.gz YVWDCMAECFXMKM-PGRDOPGGSA-N 0 0 393.531 4.383 20 10 GICDRN CCc1nn(C)c(CC)c1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000163673155 823735500 /nfs/dbraw/zinc/73/55/00/823735500.db2.gz MTRADMARYCPRHF-UHFFFAOYSA-N 0 0 398.551 4.295 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000125887015 823737660 /nfs/dbraw/zinc/73/76/60/823737660.db2.gz TXTBSXZIKDHJCX-LJQANCHMSA-N 0 0 383.492 4.238 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000164022198 823770845 /nfs/dbraw/zinc/77/08/45/823770845.db2.gz FMTNMIIZGXWDQN-HNNXBMFYSA-N 0 0 389.590 4.175 20 10 GICDRN CC(C)(C)c1cnc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)s1 ZINC000164030779 823771841 /nfs/dbraw/zinc/77/18/41/823771841.db2.gz SQUNOMMEBODCJI-UHFFFAOYSA-N 0 0 389.546 4.298 20 10 GICDRN COc1cc(C)cc(CN(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1O ZINC000164061167 823774857 /nfs/dbraw/zinc/77/48/57/823774857.db2.gz MLYJZPGWQYBBTN-UHFFFAOYSA-N 0 0 384.354 4.182 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000170630905 823922394 /nfs/dbraw/zinc/92/23/94/823922394.db2.gz JPGAGAZZHALMQH-SFHVURJKSA-N 0 0 397.519 4.081 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3[nH]c(C)c(C(C)=O)c3C(C)C)CC2)cc1 ZINC000126696071 823929683 /nfs/dbraw/zinc/92/96/83/823929683.db2.gz VBMAFQARNYMEPZ-UHFFFAOYSA-N 0 0 397.519 4.057 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 ZINC000170682383 823936904 /nfs/dbraw/zinc/93/69/04/823936904.db2.gz OXFPVUUDGGWOBA-UHFFFAOYSA-N 0 0 378.476 4.030 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000170682626 823936998 /nfs/dbraw/zinc/93/69/98/823936998.db2.gz XXIMJOTZMTYGDK-FGZHOGPDSA-N 0 0 379.504 4.006 20 10 GICDRN COc1ccc(N(Cc2cccs2)Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000170723954 823954008 /nfs/dbraw/zinc/95/40/08/823954008.db2.gz NMYNSLCWSZMXFC-UHFFFAOYSA-N 0 0 391.496 4.210 20 10 GICDRN O=C1/C(=C\c2ccc(Cl)c(F)c2)SC(=S)N1CCc1cccnc1 ZINC000170811109 823977579 /nfs/dbraw/zinc/97/75/79/823977579.db2.gz GLRGHWFQJNOCLH-OQLLNIDSSA-N 0 0 378.881 4.318 20 10 GICDRN O=C(c1cccc(-c2ccoc2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000126979227 823993679 /nfs/dbraw/zinc/99/36/79/823993679.db2.gz WOJXAYHPGDWLJV-OAQYLSRUSA-N 0 0 377.440 4.474 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000126998641 823997783 /nfs/dbraw/zinc/99/77/83/823997783.db2.gz FPARAFWJKAAFME-FQEVSTJZSA-N 0 0 384.520 4.116 20 10 GICDRN CN1C(=O)/C(=C\c2csc(-c3cccc(Br)c3)n2)SC1=S ZINC000127064947 824010129 /nfs/dbraw/zinc/01/01/29/824010129.db2.gz KQWLWCBXFDPFQA-IZZDOVSWSA-N 0 0 397.344 4.404 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000170994470 824030758 /nfs/dbraw/zinc/03/07/58/824030758.db2.gz UAUFYCWKQZIXAA-UHFFFAOYSA-N 0 0 396.491 4.173 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000192591356 824039970 /nfs/dbraw/zinc/03/99/70/824039970.db2.gz OJANONNRUAXHBJ-WJDWOHSUSA-N 0 0 385.470 4.067 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(C)=O)cc1 ZINC000175844237 823053288 /nfs/dbraw/zinc/05/32/88/823053288.db2.gz ZSYCIKBCEOYLCJ-UHFFFAOYSA-N 0 0 376.250 4.020 20 10 GICDRN C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccncc1 ZINC000120742835 823055848 /nfs/dbraw/zinc/05/58/48/823055848.db2.gz HOEIYNIPOPPFTJ-HNNXBMFYSA-N 0 0 379.426 4.232 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000175861817 823057831 /nfs/dbraw/zinc/05/78/31/823057831.db2.gz KKSBLVUVQMOORK-UHFFFAOYSA-N 0 0 390.487 4.342 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cc1 ZINC000055878340 823059276 /nfs/dbraw/zinc/05/92/76/823059276.db2.gz USPDFUWPYUMPGH-UHFFFAOYSA-N 0 0 395.890 4.249 20 10 GICDRN Cc1cc(Br)cc(CNc2ccc3c(c2)CN(C)C(=O)N3)c1O ZINC000187470114 823069571 /nfs/dbraw/zinc/06/95/71/823069571.db2.gz GXPGAIWGNGUZQE-UHFFFAOYSA-N 0 0 376.254 4.053 20 10 GICDRN O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000120819610 823070953 /nfs/dbraw/zinc/07/09/53/823070953.db2.gz LYLZMGWLSFHUHG-UHFFFAOYSA-N 0 0 389.293 4.005 20 10 GICDRN Cc1ccc2c(CC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)coc2c1 ZINC000120830042 823073174 /nfs/dbraw/zinc/07/31/74/823073174.db2.gz JJOFZLNVJWCBOB-LJQANCHMSA-N 0 0 379.456 4.197 20 10 GICDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000175952096 823080837 /nfs/dbraw/zinc/08/08/37/823080837.db2.gz PFOUEEKPBMRUFJ-KRWDZBQOSA-N 0 0 378.472 4.032 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)cc1 ZINC000187576281 823091178 /nfs/dbraw/zinc/09/11/78/823091178.db2.gz NJVUPKWGRURMTI-UHFFFAOYSA-N 0 0 396.384 4.252 20 10 GICDRN Cc1ccc(-c2ccsc2C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000056199364 823101493 /nfs/dbraw/zinc/10/14/93/823101493.db2.gz BAOILPNRWPLSDE-UHFFFAOYSA-N 0 0 392.524 4.490 20 10 GICDRN CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])ccc2NC1=O ZINC000187743169 823123721 /nfs/dbraw/zinc/12/37/21/823123721.db2.gz SKURJXGBQYZSMM-XMZIXOGTSA-N 0 0 376.403 4.192 20 10 GICDRN Cc1ccc2c(c1)[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)CO2 ZINC000121154855 823128902 /nfs/dbraw/zinc/12/89/02/823128902.db2.gz BJZXLJCYUYDIMO-IBGZPJMESA-N 0 0 378.428 4.139 20 10 GICDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000176154991 823138204 /nfs/dbraw/zinc/13/82/04/823138204.db2.gz XCXLRCYPZXTHAH-HIFRSBDPSA-N 0 0 379.909 4.418 20 10 GICDRN CC(=O)NCC1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000056522860 823161555 /nfs/dbraw/zinc/16/15/55/823161555.db2.gz OIYFIHZEXICCHN-OCOZRVBESA-N 0 0 379.464 4.482 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1 ZINC000187951357 823162955 /nfs/dbraw/zinc/16/29/55/823162955.db2.gz RFSXHJRJLMGREW-UHFFFAOYSA-N 0 0 379.460 4.494 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)NCc3cc(OC)ccc3O)s2)cc1 ZINC000176363836 823191588 /nfs/dbraw/zinc/19/15/88/823191588.db2.gz FFOSXEJTSOHGHV-UHFFFAOYSA-N 0 0 398.484 4.137 20 10 GICDRN CC[C@H](C)n1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000121576907 823209539 /nfs/dbraw/zinc/20/95/39/823209539.db2.gz QHENZPGXGJKXMP-IRXDYDNUSA-N 0 0 396.535 4.059 20 10 GICDRN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)N(C)Cc1ccccc1O ZINC000056836220 823220569 /nfs/dbraw/zinc/22/05/69/823220569.db2.gz CWKHRVHYIGBFHN-CYBMUJFWSA-N 0 0 382.382 4.020 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000176623179 823251192 /nfs/dbraw/zinc/25/11/92/823251192.db2.gz NBLJCTXLFLVEIS-NRFANRHFSA-N 0 0 396.531 4.203 20 10 GICDRN C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000121851140 823262988 /nfs/dbraw/zinc/26/29/88/823262988.db2.gz UYUVKYGMOSRKNK-SJORKVTESA-N 0 0 383.492 4.112 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000057207490 823264417 /nfs/dbraw/zinc/26/44/17/823264417.db2.gz KMRVCKNDKZHZJQ-UHFFFAOYSA-N 0 0 381.863 4.028 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695483 823269850 /nfs/dbraw/zinc/26/98/50/823269850.db2.gz SBKQJQAOZDALPN-SFHVURJKSA-N 0 0 385.471 4.131 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000121901689 823273261 /nfs/dbraw/zinc/27/32/61/823273261.db2.gz BNYDLXNKHZNDIG-GPVYEGESSA-N 0 0 399.922 4.022 20 10 GICDRN Cc1cc(C(=O)[C@@H](C)Sc2nc[nH]n2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000005620780 817600803 /nfs/dbraw/zinc/60/08/03/817600803.db2.gz BZBUFVMWIINMQX-GFCCVEGCSA-N 0 0 392.431 4.177 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000005643676 817603319 /nfs/dbraw/zinc/60/33/19/817603319.db2.gz KVCQSSBHUYLUPL-KRWDZBQOSA-N 0 0 394.475 4.056 20 10 GICDRN COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000006388470 817686815 /nfs/dbraw/zinc/68/68/15/817686815.db2.gz REHOBGJKXVTKED-OAQYLSRUSA-N 0 0 399.560 4.139 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc2c1OCO2 ZINC000007165993 817777866 /nfs/dbraw/zinc/77/78/66/817777866.db2.gz AZFUVILXKNCFQR-SXGWCWSVSA-N 0 0 385.466 4.138 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1OC(F)F ZINC000007166210 817778314 /nfs/dbraw/zinc/77/83/14/817778314.db2.gz UOFJKKBIBBRPDT-ZSOIEALJSA-N 0 0 394.424 4.097 20 10 GICDRN CCc1ccc(CN(C)C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007210632 817794383 /nfs/dbraw/zinc/79/43/83/817794383.db2.gz JYDUNOGSJVYGAP-UHFFFAOYSA-N 0 0 379.529 4.400 20 10 GICDRN CC(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C ZINC000188746706 823296827 /nfs/dbraw/zinc/29/68/27/823296827.db2.gz AZZDYEZWWYESRP-UHFFFAOYSA-N 0 0 378.428 4.095 20 10 GICDRN CCN1C(=O)/C(=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)SC1=S ZINC000007717780 817901642 /nfs/dbraw/zinc/90/16/42/817901642.db2.gz RQGYEBUAALZOCI-OQLLNIDSSA-N 0 0 391.949 4.423 20 10 GICDRN COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(O)c1O ZINC000007885299 817951066 /nfs/dbraw/zinc/95/10/66/817951066.db2.gz FXEVLYQJYQOXPY-OAQYLSRUSA-N 0 0 376.412 4.186 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CSc2nc3ccc(Cl)cc3o2)cc1 ZINC000007948707 817967604 /nfs/dbraw/zinc/96/76/04/817967604.db2.gz YFOSPPRIJOAWKS-UHFFFAOYSA-N 0 0 389.908 4.298 20 10 GICDRN COc1cc(CN(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)ccc1SC ZINC000057550941 823309465 /nfs/dbraw/zinc/30/94/65/823309465.db2.gz YZWIGSFILUPISD-UHFFFAOYSA-N 0 0 395.528 4.492 20 10 GICDRN CCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000011890305 818127287 /nfs/dbraw/zinc/12/72/87/818127287.db2.gz ULCXHETZBCFKLW-UHFFFAOYSA-N 0 0 397.500 4.057 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)cc1 ZINC000015832891 818374851 /nfs/dbraw/zinc/37/48/51/818374851.db2.gz UDLQOUXFFGNJQR-UHFFFAOYSA-N 0 0 397.569 4.324 20 10 GICDRN Cc1cccc(NC(=O)NC(=O)CSc2ncc(-c3ccccc3)n2C)c1C ZINC000016678922 818464692 /nfs/dbraw/zinc/46/46/92/818464692.db2.gz IFVFIHUMNBGKFY-UHFFFAOYSA-N 0 0 394.500 4.144 20 10 GICDRN Cc1cc(F)ccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446557 823418446 /nfs/dbraw/zinc/41/84/46/823418446.db2.gz ZPBRMXIHYGHDQX-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177297444 823425155 /nfs/dbraw/zinc/42/51/55/823425155.db2.gz BHZPZJRZAZSUTO-UHFFFAOYSA-N 0 0 395.528 4.081 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCCC(F)(F)C3)ccc21 ZINC000410244694 823432460 /nfs/dbraw/zinc/43/24/60/823432460.db2.gz OVQJNJQEODBHGH-INIZCTEOSA-N 0 0 378.463 4.460 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000024618580 819855757 /nfs/dbraw/zinc/85/57/57/819855757.db2.gz ASKAGDAHFIKGDM-UHFFFAOYSA-N 0 0 394.515 4.039 20 10 GICDRN COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000122921459 823434225 /nfs/dbraw/zinc/43/42/25/823434225.db2.gz MGSODSANHPPUSK-UHFFFAOYSA-N 0 0 397.387 4.136 20 10 GICDRN COc1ccc2c(c1)CCN2C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000058716782 823438192 /nfs/dbraw/zinc/43/81/92/823438192.db2.gz QUCPIQPFZCYXQM-UHFFFAOYSA-N 0 0 396.450 4.146 20 10 GICDRN CC(=O)Nc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1 ZINC000025553831 820002261 /nfs/dbraw/zinc/00/22/61/820002261.db2.gz HDCNORFVOLSSIR-UHFFFAOYSA-N 0 0 375.472 4.291 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2nc(C(F)(F)F)cs2)c1O ZINC000177362873 823445199 /nfs/dbraw/zinc/44/51/99/823445199.db2.gz UGANCMVDMCHVLZ-UHFFFAOYSA-N 0 0 378.803 4.356 20 10 GICDRN CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365046 823445800 /nfs/dbraw/zinc/44/58/00/823445800.db2.gz PWSXOOCPVXBYTJ-YDBLSZJJSA-N 0 0 379.909 4.179 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccnc(Cl)c2)c(C)n1-c1cccc(F)c1 ZINC000025973318 820045751 /nfs/dbraw/zinc/04/57/51/820045751.db2.gz XFQOIYOFEXCAGV-UHFFFAOYSA-N 0 0 386.810 4.321 20 10 GICDRN COC(=O)c1cc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1F ZINC000026350401 820087565 /nfs/dbraw/zinc/08/75/65/820087565.db2.gz SEQRBQDALDEQBA-UHFFFAOYSA-N 0 0 396.418 4.281 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000123087738 823460211 /nfs/dbraw/zinc/46/02/11/823460211.db2.gz XLJUSADWGWMABB-UHFFFAOYSA-N 0 0 394.302 4.494 20 10 GICDRN COC(=O)c1cc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)oc1C ZINC000027167782 820204396 /nfs/dbraw/zinc/20/43/96/820204396.db2.gz YDYRMYXTORSKKH-UHFFFAOYSA-N 0 0 380.444 4.054 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(F)c3)C2=O)cc1O ZINC000028975517 820378992 /nfs/dbraw/zinc/37/89/92/820378992.db2.gz FLADHCXYRYMLRJ-PXNMLYILSA-N 0 0 375.446 4.254 20 10 GICDRN Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000029211515 820412016 /nfs/dbraw/zinc/41/20/16/820412016.db2.gz ITQDGCOKXXYGOP-UHFFFAOYSA-N 0 0 393.230 4.389 20 10 GICDRN CC(=O)Nc1cccc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000032361798 820924514 /nfs/dbraw/zinc/92/45/14/820924514.db2.gz OJUVCKPPDOUYAP-UHFFFAOYSA-N 0 0 379.435 4.122 20 10 GICDRN COc1ccc(OC)c(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 ZINC000040867566 821165693 /nfs/dbraw/zinc/16/56/93/821165693.db2.gz ZBXXYIFZESHUMT-SXGWCWSVSA-N 0 0 375.446 4.249 20 10 GICDRN COc1cccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1 ZINC000040867561 821165700 /nfs/dbraw/zinc/16/57/00/821165700.db2.gz YWVZEIRVSKUQPX-YVLHZVERSA-N 0 0 387.482 4.118 20 10 GICDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000040884974 821165768 /nfs/dbraw/zinc/16/57/68/821165768.db2.gz UXIYIMBRNZQBGD-GHXNOFRVSA-N 0 0 390.313 4.148 20 10 GICDRN CCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1 ZINC000040885288 821165789 /nfs/dbraw/zinc/16/57/89/821165789.db2.gz OTIVATMOGGRLOT-SSZFMOIBSA-N 0 0 393.530 4.020 20 10 GICDRN Cc1cc(C(=O)NCc2nnc3n2CCCC3)c(C)n1-c1ccc(C(C)C)cc1 ZINC000041142751 821172816 /nfs/dbraw/zinc/17/28/16/821172816.db2.gz ZSKWKZQBJVJWGF-UHFFFAOYSA-N 0 0 391.519 4.075 20 10 GICDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000180633089 821376233 /nfs/dbraw/zinc/37/62/33/821376233.db2.gz WYJPEZDWVHNDBX-KRWDZBQOSA-N 0 0 375.852 4.260 20 10 GICDRN CCOc1cccc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775642 821449059 /nfs/dbraw/zinc/44/90/59/821449059.db2.gz GDXUNMIBMKRGKZ-SFHVURJKSA-N 0 0 381.394 4.383 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000180866042 821502371 /nfs/dbraw/zinc/50/23/71/821502371.db2.gz FAIQRLLPMRLGGF-DJGBTNNQSA-N 0 0 380.831 4.065 20 10 GICDRN Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cccc1C(=O)Nc1ccccc1 ZINC000180999560 821585031 /nfs/dbraw/zinc/58/50/31/821585031.db2.gz CTMBQFCMZLPVDL-ACCUITESSA-N 0 0 388.423 4.310 20 10 GICDRN CCOC(=O)Nc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000044606631 821621027 /nfs/dbraw/zinc/62/10/27/821621027.db2.gz LKYFHXGHFATDQA-UHFFFAOYSA-N 0 0 378.388 4.071 20 10 GICDRN Cc1c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1 ZINC000181236869 821712360 /nfs/dbraw/zinc/71/23/60/821712360.db2.gz DALYVJJWMDOHQS-MRXNPFEDSA-N 0 0 380.467 4.330 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000181363324 821788296 /nfs/dbraw/zinc/78/82/96/821788296.db2.gz WKHBOXKYVFDCBN-ZDUSSCGKSA-N 0 0 386.879 4.226 20 10 GICDRN CCn1cc(N2C(=O)/C(=C\c3cccc(C)c3OC(F)F)SC2=S)cn1 ZINC000182078769 822084794 /nfs/dbraw/zinc/08/47/94/822084794.db2.gz KDXKBHMGEZVXKJ-NTUHNPAUSA-N 0 0 395.456 4.219 20 10 GICDRN C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182116066 822100557 /nfs/dbraw/zinc/10/05/57/822100557.db2.gz OQQUBJNMDWVDDR-KRWDZBQOSA-N 0 0 380.467 4.080 20 10 GICDRN CC(C)(C)OCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1 ZINC000182194015 822141041 /nfs/dbraw/zinc/14/10/41/822141041.db2.gz VBNXVVHEQNPUOL-UHFFFAOYSA-N 0 0 397.383 4.089 20 10 GICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 ZINC000182400610 822230231 /nfs/dbraw/zinc/23/02/31/822230231.db2.gz JMOGERIRYKUVBP-KRWDZBQOSA-N 0 0 378.520 4.149 20 10 GICDRN O=C(NCc1ccc(O)c(O)c1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000182521562 822280884 /nfs/dbraw/zinc/28/08/84/822280884.db2.gz QUOHUUJLKAZYMU-UHFFFAOYSA-N 0 0 392.436 4.411 20 10 GICDRN CCc1cc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc(=O)[nH]1 ZINC000182679949 822349446 /nfs/dbraw/zinc/34/94/46/822349446.db2.gz LRHZTOYDPVCPCJ-MRXNPFEDSA-N 0 0 376.456 4.047 20 10 GICDRN C[C@H](Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182785652 822367347 /nfs/dbraw/zinc/36/73/47/822367347.db2.gz VOKQDCYQMIAACW-INIZCTEOSA-N 0 0 399.510 4.364 20 10 GICDRN C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000182836175 822375367 /nfs/dbraw/zinc/37/53/67/822375367.db2.gz STQOAILWASGMDP-SFHVURJKSA-N 0 0 399.560 4.390 20 10 GICDRN CCC(CC)N(CC(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178575599 822393058 /nfs/dbraw/zinc/39/30/58/822393058.db2.gz UMBAQTMPDBBPAT-UHFFFAOYSA-N 0 0 393.547 4.143 20 10 GICDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC1CCCC1 ZINC000182946815 822397952 /nfs/dbraw/zinc/39/79/52/822397952.db2.gz WGJDMYHDKNZSSP-UHFFFAOYSA-N 0 0 396.487 4.122 20 10 GICDRN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182958392 822399874 /nfs/dbraw/zinc/39/98/74/822399874.db2.gz GBPQYYVKXAWCNU-HNNXBMFYSA-N 0 0 383.467 4.184 20 10 GICDRN CC[C@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000182978890 822403507 /nfs/dbraw/zinc/40/35/07/822403507.db2.gz KCUHYIWVOABILF-IERDGZPVSA-N 0 0 392.507 4.107 20 10 GICDRN CC[C@H](Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000182978929 822403731 /nfs/dbraw/zinc/40/37/31/822403731.db2.gz KCUHYIWVOABILF-KKSFZXQISA-N 0 0 392.507 4.107 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000045793183 822414359 /nfs/dbraw/zinc/41/43/59/822414359.db2.gz FCTDWALLPJDQGL-UHFFFAOYSA-N 0 0 394.446 4.452 20 10 GICDRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000179090818 822436984 /nfs/dbraw/zinc/43/69/84/822436984.db2.gz PTKALYKASSTUEG-UHFFFAOYSA-N 0 0 388.876 4.156 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc(F)ccc1Br ZINC000183213242 822442481 /nfs/dbraw/zinc/44/24/81/822442481.db2.gz TUHSIGRSLHLWQH-UHFFFAOYSA-N 0 0 394.244 4.085 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183259484 822449715 /nfs/dbraw/zinc/44/97/15/822449715.db2.gz ZRSKGDQQGAKPOI-UHFFFAOYSA-N 0 0 390.439 4.413 20 10 GICDRN Cc1cnc([C@H](C)CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000183385696 822466854 /nfs/dbraw/zinc/46/68/54/822466854.db2.gz FDJAVESURPMERJ-MRXNPFEDSA-N 0 0 386.565 4.291 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000183450789 822476831 /nfs/dbraw/zinc/47/68/31/822476831.db2.gz VCFIHSIACUDOOQ-HNNXBMFYSA-N 0 0 395.430 4.177 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000183471849 822480217 /nfs/dbraw/zinc/48/02/17/822480217.db2.gz MHMCJURVAOPYKJ-HNNXBMFYSA-N 0 0 399.450 4.069 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000047036733 822538655 /nfs/dbraw/zinc/53/86/55/822538655.db2.gz XXJZIIWAFRXKDT-LJQANCHMSA-N 0 0 387.574 4.348 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000047052485 822540682 /nfs/dbraw/zinc/54/06/82/822540682.db2.gz JVJNDTHMQTXNCZ-GOSISDBHSA-N 0 0 376.504 4.451 20 10 GICDRN CCN1C(=O)CCc2cc(N[C@@H](C)c3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000183920585 822546630 /nfs/dbraw/zinc/54/66/30/822546630.db2.gz QDNHHJILXIESBB-INIZCTEOSA-N 0 0 397.494 4.135 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000179768716 822548637 /nfs/dbraw/zinc/54/86/37/822548637.db2.gz ZAFLAQITWQUQKC-LBPRGKRZSA-N 0 0 386.879 4.448 20 10 GICDRN COc1ccc(-c2nc(NC(=O)CSc3nccs3)sc2C)cc1 ZINC000047242408 822557992 /nfs/dbraw/zinc/55/79/92/822557992.db2.gz TYJZBSOZWVUNAQ-UHFFFAOYSA-N 0 0 377.516 4.314 20 10 GICDRN O=C(c1ccc2ccccc2c1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000179941553 822581830 /nfs/dbraw/zinc/58/18/30/822581830.db2.gz XPPHXKWGPQCMJY-SFHVURJKSA-N 0 0 377.440 4.072 20 10 GICDRN C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179948167 822583565 /nfs/dbraw/zinc/58/35/65/822583565.db2.gz ZABMAHDPFXTBMQ-MSOLQXFVSA-N 0 0 399.510 4.061 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000180062759 822606987 /nfs/dbraw/zinc/60/69/87/822606987.db2.gz HRVYARUWVUYVBD-HNNXBMFYSA-N 0 0 380.448 4.086 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000180195801 822637226 /nfs/dbraw/zinc/63/72/26/822637226.db2.gz DAMXJFQEOHFNEQ-DYZYQPBXSA-N 0 0 384.259 4.009 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000180195782 822637275 /nfs/dbraw/zinc/63/72/75/822637275.db2.gz DAMXJFQEOHFNEQ-QGHHPUGFSA-N 0 0 384.259 4.009 20 10 GICDRN COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000184464396 822640457 /nfs/dbraw/zinc/64/04/57/822640457.db2.gz YLACWZLUKKAECJ-HXUWFJFHSA-N 0 0 383.492 4.073 20 10 GICDRN COc1ccc(O)c([C@@H](C)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000184552965 822656289 /nfs/dbraw/zinc/65/62/89/822656289.db2.gz GMKMZDPVKSSHPT-MRXNPFEDSA-N 0 0 392.503 4.483 20 10 GICDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455470518 822660877 /nfs/dbraw/zinc/66/08/77/822660877.db2.gz HKBYBKCHUPOEDF-UHFFFAOYSA-N 0 0 398.457 4.389 20 10 GICDRN CSCc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184820832 822695634 /nfs/dbraw/zinc/69/56/34/822695634.db2.gz BYNSPDNQDFVDGG-UHFFFAOYSA-N 0 0 399.560 4.080 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(OC(F)F)c1 ZINC000049280520 822696580 /nfs/dbraw/zinc/69/65/80/822696580.db2.gz BSWPZIMREKKEMM-HNNXBMFYSA-N 0 0 389.446 4.449 20 10 GICDRN COc1cc(C)c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC ZINC000049298227 822697046 /nfs/dbraw/zinc/69/70/46/822697046.db2.gz NNMMHIRHXJRJJB-QGZVFWFLSA-N 0 0 397.519 4.173 20 10 GICDRN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185263693 822756619 /nfs/dbraw/zinc/75/66/19/822756619.db2.gz JLYVGKHHGJNURF-LLVKDONJSA-N 0 0 388.316 4.094 20 10 GICDRN Cc1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)c(C)n1-c1ccc(C#N)cc1 ZINC000185345582 822769039 /nfs/dbraw/zinc/76/90/39/822769039.db2.gz DBGCSNCPAPLZAY-OAQYLSRUSA-N 0 0 387.439 4.034 20 10 GICDRN CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c2ccc(F)cc2C1 ZINC000185355892 822770371 /nfs/dbraw/zinc/77/03/71/822770371.db2.gz UBOUOHYSQHLEDF-SFHVURJKSA-N 0 0 397.277 4.421 20 10 GICDRN CC(C)Cc1ccc(C(=O)CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000185389785 822777205 /nfs/dbraw/zinc/77/72/05/822777205.db2.gz OMMJPEOKHZCRCD-MRXNPFEDSA-N 0 0 383.488 4.007 20 10 GICDRN COCc1csc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000174392922 822782991 /nfs/dbraw/zinc/78/29/91/822782991.db2.gz PYGCNBPQFQSXTN-UHFFFAOYSA-N 0 0 375.494 4.362 20 10 GICDRN C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cc1[O-] ZINC000185447230 822785231 /nfs/dbraw/zinc/78/52/31/822785231.db2.gz NMOYWIBVOUUUAI-HNNXBMFYSA-N 0 0 394.450 4.099 20 10 GICDRN CCN(C(C)=O)c1nc(CN(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000052686798 822807341 /nfs/dbraw/zinc/80/73/41/822807341.db2.gz MAXKLGHYLSCCRI-UHFFFAOYSA-N 0 0 386.565 4.138 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000174646843 822817140 /nfs/dbraw/zinc/81/71/40/822817140.db2.gz ORYOYRWMNYTYGN-UHFFFAOYSA-N 0 0 380.257 4.089 20 10 GICDRN COc1ccc2oc([C@@H](C)NC(=O)NCc3cccc(OC)c3O)c(C)c2c1 ZINC000174780009 822835925 /nfs/dbraw/zinc/83/59/25/822835925.db2.gz VXOXTABPRZNSOW-CYBMUJFWSA-N 0 0 384.432 4.024 20 10 GICDRN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Br)cc1O ZINC000186048765 822847130 /nfs/dbraw/zinc/84/71/30/822847130.db2.gz SSPCCDYAEAFMMV-ZDUSSCGKSA-N 0 0 384.277 4.463 20 10 GICDRN COCc1ccc(/C=C2/SC(=S)N(CCc3cccs3)C2=O)cc1 ZINC000174913274 822854915 /nfs/dbraw/zinc/85/49/15/822854915.db2.gz QKEHXPIZSSEFHW-LFIBNONCSA-N 0 0 375.540 4.338 20 10 GICDRN CN(C)c1ccc(/C=C2/SC(=S)N([C@H]3CCOc4ccccc43)C2=O)cc1 ZINC000174914033 822855064 /nfs/dbraw/zinc/85/50/64/822855064.db2.gz TVGZYGFXKISDAL-AMRJIULGSA-N 0 0 396.537 4.478 20 10 GICDRN O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1[C@@H]1CCOc2ccccc21 ZINC000174914233 822855156 /nfs/dbraw/zinc/85/51/56/822855156.db2.gz KHPLRXADCWOJKE-CJMVGXJBSA-N 0 0 393.493 4.059 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000054072143 822861372 /nfs/dbraw/zinc/86/13/72/822861372.db2.gz UCJQZZNSBVWDQT-MRXNPFEDSA-N 0 0 385.508 4.063 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cc1ccccc1 ZINC000054285061 822873211 /nfs/dbraw/zinc/87/32/11/822873211.db2.gz AQCNLOOFNMSICO-UHFFFAOYSA-N 0 0 386.495 4.044 20 10 GICDRN CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000186373827 822884036 /nfs/dbraw/zinc/88/40/36/822884036.db2.gz DSNRZKOVKLQJBS-LLVKDONJSA-N 0 0 388.316 4.343 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)ccc21 ZINC000569165441 822887111 /nfs/dbraw/zinc/88/71/11/822887111.db2.gz PDBDEMBWQFPQIF-FCHUYYIVSA-N 0 0 396.531 4.078 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000186407069 822889462 /nfs/dbraw/zinc/88/94/62/822889462.db2.gz DXFHVCYSWHBWLJ-CYBMUJFWSA-N 0 0 382.847 4.174 20 10 GICDRN COc1ccc(O)c([C@@H](C)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000186416388 822890865 /nfs/dbraw/zinc/89/08/65/822890865.db2.gz GFWCPLVUSDSWDN-GFCCVEGCSA-N 0 0 382.382 4.174 20 10 GICDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)c(NC(=O)CN3CCCCC3)c2)c1 ZINC000186427612 822893103 /nfs/dbraw/zinc/89/31/03/822893103.db2.gz JMXYPDDMAGDTKS-KRWDZBQOSA-N 0 0 397.519 4.307 20 10 GICDRN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc(Br)ccc1O ZINC000186548130 822911477 /nfs/dbraw/zinc/91/14/77/822911477.db2.gz MAPGPXDCUXFSDS-SNVBAGLBSA-N 0 0 376.254 4.305 20 10 GICDRN Cc1noc(C)c1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000186551790 822911713 /nfs/dbraw/zinc/91/17/13/822911713.db2.gz JRERZGQYQITYLE-KRWDZBQOSA-N 0 0 397.500 4.309 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 ZINC000054950625 822924433 /nfs/dbraw/zinc/92/44/33/822924433.db2.gz JUHDCFJVLYUIEQ-QGZVFWFLSA-N 0 0 391.519 4.456 20 10 GICDRN Cc1ccc(-c2nc(/C=C3/SC(=S)N(c4cccnc4)C3=O)co2)cc1 ZINC000175319458 822933858 /nfs/dbraw/zinc/93/38/58/822933858.db2.gz ZWKKBTDVVCRMBI-CXUHLZMHSA-N 0 0 379.466 4.451 20 10 GICDRN CN(Cc1cc2ccccc2o1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175321994 822934661 /nfs/dbraw/zinc/93/46/61/822934661.db2.gz JLLVVXWLIBLGHZ-UHFFFAOYSA-N 0 0 395.528 4.328 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000186694066 822938786 /nfs/dbraw/zinc/93/87/86/822938786.db2.gz XJZXKTLVSUOVQI-LJQANCHMSA-N 0 0 391.437 4.432 20 10 GICDRN O=C1/C(=C/c2csc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 ZINC000055181562 822943700 /nfs/dbraw/zinc/94/37/00/822943700.db2.gz ZADCCYJCOHBEDF-JYRVWZFOSA-N 0 0 376.484 4.100 20 10 GICDRN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000055462303 822966341 /nfs/dbraw/zinc/96/63/41/822966341.db2.gz LOOWVAYTXBUHFZ-UHFFFAOYSA-N 0 0 397.544 4.156 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000175661916 823015044 /nfs/dbraw/zinc/01/50/44/823015044.db2.gz RHURPPAWRNRKAA-UHFFFAOYSA-N 0 0 394.544 4.260 20 10 GICDRN O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124063816 823564480 /nfs/dbraw/zinc/56/44/80/823564480.db2.gz GOQLIRYUZFCBHJ-OAHLLOKOSA-N 0 0 378.831 4.398 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1SC(F)(F)F ZINC000190947285 823628909 /nfs/dbraw/zinc/62/89/09/823628909.db2.gz HJGPTLIJCYKMKT-SNVBAGLBSA-N 0 0 386.395 4.462 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000190960509 823630941 /nfs/dbraw/zinc/63/09/41/823630941.db2.gz ACKPPYLJVUXGHM-CYBMUJFWSA-N 0 0 388.512 4.100 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000190971000 823632586 /nfs/dbraw/zinc/63/25/86/823632586.db2.gz DAEUALNBYVDTAY-ZDUSSCGKSA-N 0 0 388.439 4.311 20 10 GICDRN CC(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000125138745 823654295 /nfs/dbraw/zinc/65/42/95/823654295.db2.gz SUOCGVLAOBSSSP-UHFFFAOYSA-N 0 0 399.922 4.465 20 10 GICDRN Cn1cc(C=C2SC(NC3CCCC3)=NC2=O)c(-c2cc3ccccc3o2)n1 ZINC000063277029 823659145 /nfs/dbraw/zinc/65/91/45/823659145.db2.gz OSCSLUBSRPLWCL-WQRHYEAKSA-N 0 0 392.484 4.336 20 10 GICDRN Cc1ccc(N2C(=O)/C(=C/c3cn(C)nc3-c3cccnc3)SC2=S)cc1 ZINC000063276527 823659195 /nfs/dbraw/zinc/65/91/95/823659195.db2.gz CAKPOXFJCMYJCM-YVLHZVERSA-N 0 0 392.509 4.196 20 10 GICDRN CCCOc1ccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000125233868 823660792 /nfs/dbraw/zinc/66/07/92/823660792.db2.gz QJPRGZPDBZJAEL-UHFFFAOYSA-N 0 0 383.492 4.228 20 10 GICDRN COc1ccc2c(ccn2CC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125281284 823664503 /nfs/dbraw/zinc/66/45/03/823664503.db2.gz ZNVGABILDMDEPN-UHFFFAOYSA-N 0 0 390.439 4.178 20 10 GICDRN CCCOc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000125395106 823672983 /nfs/dbraw/zinc/67/29/83/823672983.db2.gz PGZNBHZBTOZSNT-UHFFFAOYSA-N 0 0 397.519 4.284 20 10 GICDRN CC(C)COc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000125483818 823679897 /nfs/dbraw/zinc/67/98/97/823679897.db2.gz QRSSTMFQRLJJCD-UHFFFAOYSA-N 0 0 397.519 4.222 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(OC(F)F)c1 ZINC000125486098 823680071 /nfs/dbraw/zinc/68/00/71/823680071.db2.gz VYSVBIFURVBPHJ-OAHLLOKOSA-N 0 0 387.430 4.225 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC4(CCOCC4)[C@H]3C(C)C)ccc21 ZINC000412749231 823680405 /nfs/dbraw/zinc/68/04/05/823680405.db2.gz JCWXEUGXLJORQS-JOCHJYFZSA-N 0 0 398.547 4.182 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000125733706 823701719 /nfs/dbraw/zinc/70/17/19/823701719.db2.gz OEQQHFMXFJAODO-UHFFFAOYSA-N 0 0 394.393 4.097 20 10 GICDRN CCN(CC)C(=O)c1ccc(NC(=O)CN(C)c2ccc(OC(C)C)cc2)cc1 ZINC000191579302 823703736 /nfs/dbraw/zinc/70/37/36/823703736.db2.gz XDFMBAZJNSMWHO-UHFFFAOYSA-N 0 0 397.519 4.031 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000126089108 823784173 /nfs/dbraw/zinc/78/41/73/823784173.db2.gz AGQYMDWYUZTNII-UHFFFAOYSA-N 0 0 387.483 4.469 20 10 GICDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000164248490 823789920 /nfs/dbraw/zinc/78/99/20/823789920.db2.gz MULDSRQLRAYSTM-SNVBAGLBSA-N 0 0 376.503 4.135 20 10 GICDRN Cc1c(F)cccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164305853 823794697 /nfs/dbraw/zinc/79/46/97/823794697.db2.gz NEUNKNXSMGTDIX-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1F ZINC000164317095 823795607 /nfs/dbraw/zinc/79/56/07/823795607.db2.gz KXYVFQMTLCVNNY-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cn2cc(Cl)ccc2n1 ZINC000064360104 823800140 /nfs/dbraw/zinc/80/01/40/823800140.db2.gz ZBSVTCYFCUQFHF-YRNVUSSQSA-N 0 0 383.238 4.295 20 10 GICDRN C[C@H](Oc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1)c1ccccc1 ZINC000191922397 823812150 /nfs/dbraw/zinc/81/21/50/823812150.db2.gz NYLIYYBPYLRTJH-INIZCTEOSA-N 0 0 377.440 4.210 20 10 GICDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nccs3)c2C)cc1 ZINC000064660444 823859458 /nfs/dbraw/zinc/85/94/58/823859458.db2.gz ZBZIQYIDASKZLL-UHFFFAOYSA-N 0 0 386.498 4.312 20 10 GICDRN CC(C)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000192460270 823998627 /nfs/dbraw/zinc/99/86/27/823998627.db2.gz WXRUJBURFWLGQU-QINSGFPZSA-N 0 0 396.603 4.282 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2csc(Cc3ccc(F)cc3)n2)cc1 ZINC000171016273 824038141 /nfs/dbraw/zinc/03/81/41/824038141.db2.gz LRTJAGWRJWAMRB-UHFFFAOYSA-N 0 0 383.492 4.211 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000056890818 222026793 /nfs/dbraw/zinc/02/67/93/222026793.db2.gz OKOIHKSCEJFMKB-UHFFFAOYSA-N 0 0 385.826 4.238 20 10 GICDRN CN(c1ccccc1)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000175861919 823057848 /nfs/dbraw/zinc/05/78/48/823057848.db2.gz JHEQNNMKHFQCRZ-UHFFFAOYSA-N 0 0 392.547 4.097 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)cc1 ZINC000055878055 823059312 /nfs/dbraw/zinc/05/93/12/823059312.db2.gz HMIOGMRFAOAVBC-UHFFFAOYSA-N 0 0 393.462 4.043 20 10 GICDRN Cc1ccc(-c2c[nH]cc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000187532440 823083219 /nfs/dbraw/zinc/08/32/19/823083219.db2.gz HIRCJIXVMWDXGN-UHFFFAOYSA-N 0 0 395.528 4.160 20 10 GICDRN CCc1nnc(-c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)o1 ZINC000176011357 823095210 /nfs/dbraw/zinc/09/52/10/823095210.db2.gz IPOFNCDAMDFPOY-UHFFFAOYSA-N 0 0 391.475 4.221 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)c3occc3Br)cc2)CC1 ZINC000176031666 823100554 /nfs/dbraw/zinc/10/05/54/823100554.db2.gz DPQDIXQYJJYRDO-UHFFFAOYSA-N 0 0 377.282 4.208 20 10 GICDRN CN1C(=O)/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)SC1=S ZINC000121001528 823100589 /nfs/dbraw/zinc/10/05/89/823100589.db2.gz ZTHWASIHOKFOAD-XNTDXEJSSA-N 0 0 388.901 4.423 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000121238679 823145144 /nfs/dbraw/zinc/14/51/44/823145144.db2.gz CXUKFQKQCGTUQM-OAHLLOKOSA-N 0 0 380.448 4.125 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000121352452 823168797 /nfs/dbraw/zinc/16/87/97/823168797.db2.gz CIWQICNAQNTNQB-REWPJTCUSA-N 0 0 391.515 4.030 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1F ZINC000188000074 823169422 /nfs/dbraw/zinc/16/94/22/823169422.db2.gz HJVWUGYAMJIVGL-UHFFFAOYSA-N 0 0 383.423 4.243 20 10 GICDRN CC(C)n1cnnc1-c1ccccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176308932 823178541 /nfs/dbraw/zinc/17/85/41/823178541.db2.gz BDPXPPPWGNPGLM-UHFFFAOYSA-N 0 0 396.470 4.053 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000176313232 823179634 /nfs/dbraw/zinc/17/96/34/823179634.db2.gz ZDWSQZQSHHHIQJ-AWEZNQCLSA-N 0 0 395.463 4.123 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000121436340 823184036 /nfs/dbraw/zinc/18/40/36/823184036.db2.gz SFAOEUPPMUTLMI-INIZCTEOSA-N 0 0 393.491 4.095 20 10 GICDRN CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000056754673 823207455 /nfs/dbraw/zinc/20/74/55/823207455.db2.gz AVTINQKGGUYPOU-QGZVFWFLSA-N 0 0 383.492 4.022 20 10 GICDRN Cc1cc(C(=O)NCc2cc(COC(C)(C)C)on2)c(C)n1-c1ccc(F)cc1 ZINC000188571566 823263554 /nfs/dbraw/zinc/26/35/54/823263554.db2.gz ADRVXCUXXYRXPZ-UHFFFAOYSA-N 0 0 399.466 4.466 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000004541595 817531161 /nfs/dbraw/zinc/53/11/61/817531161.db2.gz VSCCIMKMFXROSM-UHFFFAOYSA-N 0 0 384.382 4.168 20 10 GICDRN CCOc1ccc(-n2c(C)cc(C(=O)COc3cccnc3[N+](=O)[O-])c2C)cc1 ZINC000005970722 817634012 /nfs/dbraw/zinc/63/40/12/817634012.db2.gz ZIVOPWDKDUAMRY-UHFFFAOYSA-N 0 0 395.415 4.058 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccc(F)cc2)cc1 ZINC000006367926 817684145 /nfs/dbraw/zinc/68/41/45/817684145.db2.gz AYMXTGOBGSOPPE-HXUWFJFHSA-N 0 0 387.524 4.270 20 10 GICDRN Cc1ccccc1NC(=S)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006632677 817713325 /nfs/dbraw/zinc/71/33/25/817713325.db2.gz OTOGPUSNGCLXJR-HXUWFJFHSA-N 0 0 383.561 4.439 20 10 GICDRN CCc1cccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000007351803 817822463 /nfs/dbraw/zinc/82/24/63/817822463.db2.gz CKNDILHDMURVOH-UHFFFAOYSA-N 0 0 384.383 4.490 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000409732347 823293576 /nfs/dbraw/zinc/29/35/76/823293576.db2.gz CZFCEDAVDQXPSX-UHFFFAOYSA-N 0 0 394.496 4.007 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000188779290 823303680 /nfs/dbraw/zinc/30/36/80/823303680.db2.gz MLDZCNZQVJWLNJ-NSHDSACASA-N 0 0 397.368 4.468 20 10 GICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000057512264 823306079 /nfs/dbraw/zinc/30/60/79/823306079.db2.gz KINANMFDAXSQFP-OAQYLSRUSA-N 0 0 389.499 4.122 20 10 GICDRN NC(=O)c1ccc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000011645823 818103870 /nfs/dbraw/zinc/10/38/70/818103870.db2.gz NRWIQUNFWOVVKA-IBGZPJMESA-N 0 0 393.512 4.120 20 10 GICDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000014177799 818226386 /nfs/dbraw/zinc/22/63/86/818226386.db2.gz BSQLBFODBBDIDS-UZNZLNSGSA-N 0 0 386.517 4.137 20 10 GICDRN O=C1/C(=C/c2ccc(OC[C@@H]3CCCO3)cc2)SC(=S)N1c1cccnc1 ZINC000014177905 818226486 /nfs/dbraw/zinc/22/64/86/818226486.db2.gz GEMPIDIADVZWJM-PBXDPIQXSA-N 0 0 398.509 4.045 20 10 GICDRN CCOc1cc(N2CCOC(C)(C)C2)ccc1NCc1cc(OC)ccc1O ZINC000188883451 823322443 /nfs/dbraw/zinc/32/24/43/823322443.db2.gz PRMNCYOMWUJWJN-UHFFFAOYSA-N 0 0 386.492 4.027 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2sc3c(c21)CCCC3 ZINC000015141597 818294793 /nfs/dbraw/zinc/29/47/93/818294793.db2.gz IFMZHHPHFPGZQM-UHFFFAOYSA-N 0 0 394.544 4.043 20 10 GICDRN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000015558256 818338446 /nfs/dbraw/zinc/33/84/46/818338446.db2.gz CUZZYWYMEQTPSY-UHFFFAOYSA-N 0 0 389.499 4.367 20 10 GICDRN CN(C)c1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000015832866 818374702 /nfs/dbraw/zinc/37/47/02/818374702.db2.gz GJWMUAQCTMRYIM-UHFFFAOYSA-N 0 0 398.510 4.010 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000018150617 818551086 /nfs/dbraw/zinc/55/10/86/818551086.db2.gz YNGACBZSOBQQFV-UHFFFAOYSA-N 0 0 383.492 4.372 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2ccccc2OCCOc2ccccc2)cc1 ZINC000018215130 818557473 /nfs/dbraw/zinc/55/74/73/818557473.db2.gz LKJLMFUOWFOCKR-UHFFFAOYSA-N 0 0 390.483 4.140 20 10 GICDRN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000021191575 818663413 /nfs/dbraw/zinc/66/34/13/818663413.db2.gz JRPZHKCDUMDRHK-MOSHPQCFSA-N 0 0 394.544 4.313 20 10 GICDRN CCN1C(=O)/C(=C\c2cccc(NC(=O)c3ccc(OC)cc3)c2)SC1=S ZINC000023200469 818907691 /nfs/dbraw/zinc/90/76/91/818907691.db2.gz QYAYOXMEEUVUSV-SFQUDFHCSA-N 0 0 398.509 4.169 20 10 GICDRN CN(C)c1nc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)ns1 ZINC000122612973 823381637 /nfs/dbraw/zinc/38/16/37/823381637.db2.gz RKDRWANFEIBUJJ-UHFFFAOYSA-N 0 0 397.529 4.401 20 10 GICDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](c2ccsc2)O1 ZINC000177154735 823385434 /nfs/dbraw/zinc/38/54/34/823385434.db2.gz TWSKOSXOSRMKSE-OXJNMPFZSA-N 0 0 385.533 4.020 20 10 GICDRN COc1ccccc1SCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000122742287 823404232 /nfs/dbraw/zinc/40/42/32/823404232.db2.gz ZNVIYXPICISBDG-UHFFFAOYSA-N 0 0 384.545 4.436 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccccc1F)c1ccc(N)cc1 ZINC000189446467 823418450 /nfs/dbraw/zinc/41/84/50/823418450.db2.gz MNVDWKGCVYEKFD-OAHLLOKOSA-N 0 0 377.419 4.141 20 10 GICDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000189574062 823448118 /nfs/dbraw/zinc/44/81/18/823448118.db2.gz QMGZLWUKOGVXOX-CQSZACIVSA-N 0 0 390.867 4.125 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1c(-c2ccccc2)nc2ccccn12 ZINC000026456147 820100412 /nfs/dbraw/zinc/10/04/12/820100412.db2.gz WMRHPYLQVSISFM-OBGWFSINSA-N 0 0 388.496 4.458 20 10 GICDRN O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)c1ccccc1 ZINC000123068356 823456307 /nfs/dbraw/zinc/45/63/07/823456307.db2.gz CZMJMUXTHDDHSQ-UHFFFAOYSA-N 0 0 379.287 4.093 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3c3ccncc3)c2C)cc1 ZINC000027279479 820219497 /nfs/dbraw/zinc/21/94/97/820219497.db2.gz HNVXYMAYALPPGO-QFIPXVFZSA-N 0 0 375.472 4.475 20 10 GICDRN C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123200016 823477797 /nfs/dbraw/zinc/47/77/97/823477797.db2.gz XTVGXMQLJMDDFB-SJORKVTESA-N 0 0 386.923 4.233 20 10 GICDRN CN(C)c1ccc(CN(C)Cn2nc(C=Cc3ccccc3)[nH]c2=S)cc1 ZINC000029249698 820418540 /nfs/dbraw/zinc/41/85/40/820418540.db2.gz ISIHIHDZSRNFKB-SDNWHVSQSA-N 0 0 379.533 4.267 20 10 GICDRN Cc1cc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 ZINC000030813296 820686763 /nfs/dbraw/zinc/68/67/63/820686763.db2.gz CKYIDMBKWWBKMU-SFHVURJKSA-N 0 0 385.464 4.474 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031265380 820781475 /nfs/dbraw/zinc/78/14/75/820781475.db2.gz LNMWFJDIBOBTQC-GOSISDBHSA-N 0 0 391.427 4.061 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000177667612 823510907 /nfs/dbraw/zinc/51/09/07/823510907.db2.gz XVBMWEAYKLTIPG-HHHXNRCGSA-N 0 0 380.513 4.104 20 10 GICDRN CC(C)[C@H](NC(=O)NCCCSc1nccs1)c1nc2ccccc2[nH]1 ZINC000177721974 823516841 /nfs/dbraw/zinc/51/68/41/823516841.db2.gz RIYOMNKOOZIHQS-HNNXBMFYSA-N 0 0 389.550 4.198 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cn(C(C)(C)C)nn1 ZINC000190000213 823523959 /nfs/dbraw/zinc/52/39/59/823523959.db2.gz WMPMVPOQUPFWIR-INIZCTEOSA-N 0 0 378.476 4.142 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000043296565 821388388 /nfs/dbraw/zinc/38/83/88/821388388.db2.gz XYZWRPSHLSSBKA-HSZRJFAPSA-N 0 0 388.515 4.469 20 10 GICDRN COc1cc(N(C)Cc2ccccc2OCc2ccccn2)cc(OC)c1OC ZINC000180754826 821436158 /nfs/dbraw/zinc/43/61/58/821436158.db2.gz YJKVTYYRDRBCNO-UHFFFAOYSA-N 0 0 394.471 4.323 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(COc2ccccc2)cc1 ZINC000180928757 821543398 /nfs/dbraw/zinc/54/33/98/821543398.db2.gz CEWVJNMJQXSIBF-ACCUITESSA-N 0 0 375.424 4.006 20 10 GICDRN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181031729 821602501 /nfs/dbraw/zinc/60/25/01/821602501.db2.gz SZGLYGPSJJYEDU-FMAYLGMYSA-N 0 0 389.455 4.180 20 10 GICDRN CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc(OC)ccc1O ZINC000181089210 821627180 /nfs/dbraw/zinc/62/71/80/821627180.db2.gz QBQUAAUYJKSTFW-UHFFFAOYSA-N 0 0 384.476 4.038 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)c1 ZINC000181582530 821888950 /nfs/dbraw/zinc/88/89/50/821888950.db2.gz YJEHSEDQTITHMF-GOSISDBHSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000181582927 821889458 /nfs/dbraw/zinc/88/94/58/821889458.db2.gz AHQPTROSMZGFCN-SFHVURJKSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182208445 822147795 /nfs/dbraw/zinc/14/77/95/822147795.db2.gz VAHUYNUEQMYRJO-OXQOHEQNSA-N 0 0 386.467 4.003 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c(O)c1O ZINC000182265346 822177389 /nfs/dbraw/zinc/17/73/89/822177389.db2.gz FYOHSNAEYNZGPG-UHFFFAOYSA-N 0 0 376.412 4.219 20 10 GICDRN COCc1nc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)no1 ZINC000182385746 822224244 /nfs/dbraw/zinc/22/42/44/822224244.db2.gz JRGAFORZRIACFT-UHFFFAOYSA-N 0 0 382.445 4.013 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000045351277 822380601 /nfs/dbraw/zinc/38/06/01/822380601.db2.gz ZRFDALQSKIQYBR-UTKZUKDTSA-N 0 0 398.503 4.243 20 10 GICDRN CCOc1cc(/C=C2\SC(=S)N(CCCSC)C2=O)ccc1OC ZINC000045631247 822401422 /nfs/dbraw/zinc/40/14/22/822401422.db2.gz FTTXWSDXBKLMPA-PTNGSMBKSA-N 0 0 383.560 4.048 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000182968702 822401495 /nfs/dbraw/zinc/40/14/95/822401495.db2.gz PDJAMWQSCTZJJC-UHFFFAOYSA-N 0 0 378.432 4.202 20 10 GICDRN C[C@@H](Nc1cnn(-c2ccccc2F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183291131 822454010 /nfs/dbraw/zinc/45/40/10/822454010.db2.gz DQZQHQCFGWSJCV-OAHLLOKOSA-N 0 0 384.430 4.160 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1C(F)(F)F ZINC000179450165 822484999 /nfs/dbraw/zinc/48/49/99/822484999.db2.gz YQRIAAXYHGQXFK-UHFFFAOYSA-N 0 0 377.410 4.363 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc(OCc2cccnc2)cc1 ZINC000046647535 822497891 /nfs/dbraw/zinc/49/78/91/822497891.db2.gz FASDPCNIFVNFLP-KRWDZBQOSA-N 0 0 391.471 4.269 20 10 GICDRN Cc1cc2c(cc1NC(=O)N(Cc1ccco1)Cc1ccccc1O)OCO2 ZINC000183796234 822529058 /nfs/dbraw/zinc/52/90/58/822529058.db2.gz QYOZBNBJZJWAEV-UHFFFAOYSA-N 0 0 380.400 4.257 20 10 GICDRN C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036680 822538594 /nfs/dbraw/zinc/53/85/94/822538594.db2.gz JHPRXPRDAWIMSE-HNNXBMFYSA-N 0 0 375.563 4.204 20 10 GICDRN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(N2CCOCC2)c(F)c1 ZINC000179816282 822558707 /nfs/dbraw/zinc/55/87/07/822558707.db2.gz MKZRLBPUGCYFAK-OAHLLOKOSA-N 0 0 383.467 4.110 20 10 GICDRN CNC(=O)COc1ccc(N[C@@H](C)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000179824167 822560488 /nfs/dbraw/zinc/56/04/88/822560488.db2.gz LNTYJFHZEGPVIA-INIZCTEOSA-N 0 0 385.483 4.114 20 10 GICDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(C)Cc2ccccc2O)C1 ZINC000047502015 822584757 /nfs/dbraw/zinc/58/47/57/822584757.db2.gz PQZOELWRHDOQRQ-IRXDYDNUSA-N 0 0 395.503 4.174 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)Nc3ccccc3C[S@@](C)=O)cc2)CC1 ZINC000184307615 822611822 /nfs/dbraw/zinc/61/18/22/822611822.db2.gz RMUCLYPZDXTNRE-MUUNZHRXSA-N 0 0 399.560 4.123 20 10 GICDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(C)nc1-c1cccs1 ZINC000180310151 822661291 /nfs/dbraw/zinc/66/12/91/822661291.db2.gz ZNSSHCXESVKJGR-LCYFTJDESA-N 0 0 394.525 4.481 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc(Br)ccc1F ZINC000048797698 822683719 /nfs/dbraw/zinc/68/37/19/822683719.db2.gz BZDSQRHNBJSTNJ-UHFFFAOYSA-N 0 0 389.062 4.346 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3ccccc3CSC)CC2)cc1 ZINC000184736513 822683934 /nfs/dbraw/zinc/68/39/34/822683934.db2.gz AOYCTRSGCVSDBS-UHFFFAOYSA-N 0 0 385.533 4.302 20 10 GICDRN CCN(CC)c1ccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180508561 822693469 /nfs/dbraw/zinc/69/34/69/822693469.db2.gz CMFNYVPRVIQZLU-QFIPXVFZSA-N 0 0 384.474 4.424 20 10 GICDRN COc1ccc(-c2nc(NC(=O)/C=C/c3ccc(O)c(O)c3)sc2C)cc1 ZINC000180608033 822711088 /nfs/dbraw/zinc/71/10/88/822711088.db2.gz LCVWNWFYORVWHN-ONNFQVAWSA-N 0 0 382.441 4.190 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000050554884 822733367 /nfs/dbraw/zinc/73/33/67/822733367.db2.gz IREMKNOMMHGEAW-UHFFFAOYSA-N 0 0 396.472 4.057 20 10 GICDRN Cc1cc(CNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)on1 ZINC000050612747 822734865 /nfs/dbraw/zinc/73/48/65/822734865.db2.gz JBJFQHAWGBKLCF-UHFFFAOYSA-N 0 0 388.265 4.083 20 10 GICDRN CCN(CC)c1ccc(CNc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000185896974 822831010 /nfs/dbraw/zinc/83/10/10/822831010.db2.gz UGJYUFWOPNOWIV-IBGZPJMESA-N 0 0 380.448 4.040 20 10 GICDRN CNC(=O)c1ccc(C)c(NC(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000174845424 822845690 /nfs/dbraw/zinc/84/56/90/822845690.db2.gz UTHRRXNCPOPMEC-UHFFFAOYSA-N 0 0 395.503 4.427 20 10 GICDRN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1O ZINC000186051669 822847507 /nfs/dbraw/zinc/84/75/07/822847507.db2.gz HORWMRJUHNFQPV-CYBMUJFWSA-N 0 0 384.277 4.463 20 10 GICDRN CCOc1ccc2c(c1)[C@H](NC(=O)N(CC)Cc1ccc(N(C)C)cc1)CCO2 ZINC000186070175 822849076 /nfs/dbraw/zinc/84/90/76/822849076.db2.gz BGHIWQOGKYGSMD-OAQYLSRUSA-N 0 0 397.519 4.207 20 10 GICDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)Cc1ccccc1O ZINC000053916445 822852933 /nfs/dbraw/zinc/85/29/33/822852933.db2.gz SBHZOGYAMOYVQV-UHFFFAOYSA-N 0 0 383.879 4.049 20 10 GICDRN CC(C)[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000054000762 822856529 /nfs/dbraw/zinc/85/65/29/822856529.db2.gz CAFKUSMKWFNJGC-UNMCSNQZSA-N 0 0 382.504 4.480 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1occc1CSc1ccccc1 ZINC000186375231 822884164 /nfs/dbraw/zinc/88/41/64/822884164.db2.gz AZKQKUSNKGYVCD-CQSZACIVSA-N 0 0 383.469 4.344 20 10 GICDRN C[C@@H](NCc1nc(COc2ccccc2)n[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000186432151 822894142 /nfs/dbraw/zinc/89/41/42/822894142.db2.gz MHXZRKMXFNBPGO-GOSISDBHSA-N 0 0 391.519 4.225 20 10 GICDRN CC[C@H](NC(=O)N(CC)Cc1cc(Br)ccc1O)c1nccs1 ZINC000175161074 822895076 /nfs/dbraw/zinc/89/50/76/822895076.db2.gz CVPYHQWBOGWIJP-ZDUSSCGKSA-N 0 0 398.326 4.294 20 10 GICDRN CN1CCC(=O)Nc2cc(C(=O)Nc3cccc(N4CCCCCC4)c3)ccc21 ZINC000175169519 822896707 /nfs/dbraw/zinc/89/67/07/822896707.db2.gz BUGDMQYXSNFPKG-UHFFFAOYSA-N 0 0 392.503 4.098 20 10 GICDRN CCOCCOCc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000175245529 822912831 /nfs/dbraw/zinc/91/28/31/822912831.db2.gz DHMLWODPYWGMND-UHFFFAOYSA-N 0 0 398.503 4.146 20 10 GICDRN COc1cccc([C@H](C)CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000175544245 822994354 /nfs/dbraw/zinc/99/43/54/822994354.db2.gz XSQCMDNLPWLIKZ-DYESRHJHSA-N 0 0 383.488 4.102 20 10 GICDRN Cc1cnc([C@@H](C)CNC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000187084733 823008346 /nfs/dbraw/zinc/00/83/46/823008346.db2.gz GBZRHSBOBKZJHI-AWEZNQCLSA-N 0 0 385.489 4.266 20 10 GICDRN COC[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(C)o1 ZINC000175667335 823016358 /nfs/dbraw/zinc/01/63/58/823016358.db2.gz WVANYHSVFBHQCD-FQEVSTJZSA-N 0 0 385.508 4.107 20 10 GICDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000123964293 823555941 /nfs/dbraw/zinc/55/59/41/823555941.db2.gz GTTUCRRPAGTGOQ-INIZCTEOSA-N 0 0 379.508 4.049 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000190549417 823585369 /nfs/dbraw/zinc/58/53/69/823585369.db2.gz MIXNUIZONJOEEO-UHFFFAOYSA-N 0 0 379.426 4.417 20 10 GICDRN CN(c1ccc(CNC(=O)c2cn(C)nc2C(F)(F)F)cc1)C1CCCCC1 ZINC000124478872 823600099 /nfs/dbraw/zinc/60/00/99/823600099.db2.gz QPRIJCKCXMKVFA-UHFFFAOYSA-N 0 0 394.441 4.138 20 10 GICDRN CC(C)CN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1O ZINC000124681198 823616840 /nfs/dbraw/zinc/61/68/40/823616840.db2.gz UQLGHAURVPGNAS-QGZVFWFLSA-N 0 0 391.265 4.083 20 10 GICDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)c(Br)c1 ZINC000062273976 823627268 /nfs/dbraw/zinc/62/72/68/823627268.db2.gz SDNVFLQVWKSTLD-UHFFFAOYSA-N 0 0 395.684 4.191 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191007735 823637674 /nfs/dbraw/zinc/63/76/74/823637674.db2.gz OEEKEOGNEHRCBT-GFCCVEGCSA-N 0 0 397.393 4.021 20 10 GICDRN COCCOc1ccccc1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000063163950 823653768 /nfs/dbraw/zinc/65/37/68/823653768.db2.gz VDIYSASHDWVDFJ-UHFFFAOYSA-N 0 0 397.519 4.366 20 10 GICDRN Cc1ccc(OCc2nc(/C=C3/SC(N4CCCCC4)=NC3=O)cs2)cc1 ZINC000063277343 823659208 /nfs/dbraw/zinc/65/92/08/823659208.db2.gz OQTNQELJURSGQN-GZTJUZNOSA-N 0 0 399.541 4.487 20 10 GICDRN CC(C)Oc1ncccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125238350 823661455 /nfs/dbraw/zinc/66/14/55/823661455.db2.gz DTCYJXXUJNVBKG-UHFFFAOYSA-N 0 0 381.432 4.402 20 10 GICDRN CC(=O)c1cccc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125286989 823665042 /nfs/dbraw/zinc/66/50/42/823665042.db2.gz BNPJPLRDIVEYNV-KRWDZBQOSA-N 0 0 393.439 4.184 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H]1COc2ccccc21 ZINC000163481611 823714477 /nfs/dbraw/zinc/71/44/77/823714477.db2.gz HFZYJNNVZGNEKG-JXFKEZNVSA-N 0 0 392.455 4.262 20 10 GICDRN Cc1cccc(F)c1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164306379 823794664 /nfs/dbraw/zinc/79/46/64/823794664.db2.gz QBYDZMJJFCYROW-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN CSc1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000164312130 823795115 /nfs/dbraw/zinc/79/51/15/823795115.db2.gz UKAIVJBHZBEQDZ-UHFFFAOYSA-N 0 0 398.528 4.414 20 10 GICDRN COc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(C)c1 ZINC000164314685 823795546 /nfs/dbraw/zinc/79/55/46/823795546.db2.gz NADVQIKHYGWINF-UHFFFAOYSA-N 0 0 396.487 4.009 20 10 GICDRN COc1ccc(N2CCCN(C(=O)Nc3cc(OC)ccc3Cl)CC2)cc1 ZINC000064547936 823841782 /nfs/dbraw/zinc/84/17/82/823841782.db2.gz GZWREJCLCHNIFJ-UHFFFAOYSA-N 0 0 389.883 4.101 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cccc(F)c1F ZINC000165567100 823854397 /nfs/dbraw/zinc/85/43/97/823854397.db2.gz OAQVPOGTWIABOR-GOEBONIOSA-N 0 0 390.430 4.122 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000126712777 823933398 /nfs/dbraw/zinc/93/33/98/823933398.db2.gz WKUKOZXGWYLMGW-UHFFFAOYSA-N 0 0 388.183 4.446 20 10 GICDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n(Cc2ccccc2)n1 ZINC000065104961 823943012 /nfs/dbraw/zinc/94/30/12/823943012.db2.gz XVNSXFFTQMMZAL-UHFFFAOYSA-N 0 0 385.471 4.295 20 10 GICDRN O=C(c1cccc(-c2ccoc2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000126978955 823993619 /nfs/dbraw/zinc/99/36/19/823993619.db2.gz WOJXAYHPGDWLJV-NRFANRHFSA-N 0 0 377.440 4.474 20 10 GICDRN CCN(CC(C)C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000192469256 824003166 /nfs/dbraw/zinc/00/31/66/824003166.db2.gz OVNIZVNGHOXDIT-PTNGSMBKSA-N 0 0 396.603 4.234 20 10 GICDRN Cc1cc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)c(C)n1-c1ccccn1 ZINC000170950599 824014678 /nfs/dbraw/zinc/01/46/78/824014678.db2.gz QGMXJWXJVAUVHC-UHFFFAOYSA-N 0 0 393.462 4.064 20 10 GICDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192649131 824055807 /nfs/dbraw/zinc/05/58/07/824055807.db2.gz APZVERHHSYELMN-LLVKDONJSA-N 0 0 383.275 4.247 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000175845682 823053723 /nfs/dbraw/zinc/05/37/23/823053723.db2.gz JGGLQBGWNAZTSE-UHFFFAOYSA-N 0 0 399.266 4.095 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000175849416 823055161 /nfs/dbraw/zinc/05/51/61/823055161.db2.gz ZTIHGEUOHXDYOH-UHFFFAOYSA-N 0 0 396.668 4.040 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000175952137 823080799 /nfs/dbraw/zinc/08/07/99/823080799.db2.gz NXPIRSHRYABXJE-UHFFFAOYSA-N 0 0 392.455 4.181 20 10 GICDRN CC(C)n1cccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000121053172 823109779 /nfs/dbraw/zinc/10/97/79/823109779.db2.gz XQJXFYLLCYWEHD-UHFFFAOYSA-N 0 0 377.435 4.069 20 10 GICDRN COc1cccc(/C(C)=C/C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000176142182 823134087 /nfs/dbraw/zinc/13/40/87/823134087.db2.gz BQZXQOSOTSMDHT-RYEVTAHJSA-N 0 0 381.472 4.012 20 10 GICDRN CCC(CC)c1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000121238411 823145217 /nfs/dbraw/zinc/14/52/17/823145217.db2.gz VZPMJKPJVDYGAU-HNNXBMFYSA-N 0 0 375.488 4.405 20 10 GICDRN C[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121311517 823160757 /nfs/dbraw/zinc/16/07/57/823160757.db2.gz VVCVKAJBHKMQEO-DKXRRRNBSA-N 0 0 394.587 4.131 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000056730037 823201656 /nfs/dbraw/zinc/20/16/56/823201656.db2.gz MQCHVDTZQJFREM-OAQYLSRUSA-N 0 0 385.508 4.017 20 10 GICDRN C[C@H](c1ccco1)N(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000121666010 823225781 /nfs/dbraw/zinc/22/57/81/823225781.db2.gz FZWXDZVKUSNXIH-MRXNPFEDSA-N 0 0 385.533 4.268 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)N3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000176559802 823237303 /nfs/dbraw/zinc/23/73/03/823237303.db2.gz GJXRILRCNDVFST-UHFFFAOYSA-N 0 0 383.458 4.407 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)CCc2ncc(C(C)(C)C)o2)cc1F ZINC000188453711 823242982 /nfs/dbraw/zinc/24/29/82/823242982.db2.gz TWMBOBWYRFOFJE-UHFFFAOYSA-N 0 0 375.488 4.206 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)c1O ZINC000176603074 823246148 /nfs/dbraw/zinc/24/61/48/823246148.db2.gz IQWWRMLEFOFSCI-HNNXBMFYSA-N 0 0 377.444 4.023 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)cc1 ZINC000057118033 823250521 /nfs/dbraw/zinc/25/05/21/823250521.db2.gz ANQIGWUOSZETDW-UHFFFAOYSA-N 0 0 398.532 4.082 20 10 GICDRN C[C@H](c1ccco1)N(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000121851301 823263061 /nfs/dbraw/zinc/26/30/61/823263061.db2.gz UYUVKYGMOSRKNK-DLBZAZTESA-N 0 0 383.492 4.112 20 10 GICDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000176663240 823260932 /nfs/dbraw/zinc/26/09/32/823260932.db2.gz RFGCVGIEIJEARI-VQTJNVASSA-N 0 0 391.581 4.028 20 10 GICDRN C[C@H](SCC(=O)NCc1ccc2c(c1)CCCN2C)c1nc2ccccc2[nH]1 ZINC000121910083 823275317 /nfs/dbraw/zinc/27/53/17/823275317.db2.gz ZRDDCABNCCHXKN-HNNXBMFYSA-N 0 0 394.544 4.056 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)cc1 ZINC000007176652 817782705 /nfs/dbraw/zinc/78/27/05/817782705.db2.gz LUFPJCVTUJZHAE-OAHLLOKOSA-N 0 0 397.862 4.327 20 10 GICDRN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000176810141 823298826 /nfs/dbraw/zinc/29/88/26/823298826.db2.gz PPJFDHVIZUWBIL-UTKZUKDTSA-N 0 0 386.492 4.148 20 10 GICDRN Cc1cc(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000011085325 818051332 /nfs/dbraw/zinc/05/13/32/818051332.db2.gz QBKHNDVBCXQIKM-UHFFFAOYSA-N 0 0 377.444 4.283 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)CSc3nnc(N)s3)c2C)c1 ZINC000011479898 818085941 /nfs/dbraw/zinc/08/59/41/818085941.db2.gz SKFXCPWVNOWNDB-UHFFFAOYSA-N 0 0 390.559 4.225 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000122194225 823319823 /nfs/dbraw/zinc/31/98/23/823319823.db2.gz ZDZFJKZVFATWJV-UHFFFAOYSA-N 0 0 380.271 4.185 20 10 GICDRN Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000014152164 818225304 /nfs/dbraw/zinc/22/53/04/818225304.db2.gz NEYYRGVHDWIJBN-CQSZACIVSA-N 0 0 397.500 4.296 20 10 GICDRN Cc1cc(C=C2NC(=S)N(c3ccccc3C)C2=O)c(C)n1Cc1ccco1 ZINC000015282565 818306021 /nfs/dbraw/zinc/30/60/21/818306021.db2.gz ZFKNCNXPNAIMPW-UNOMPAQXSA-N 0 0 391.496 4.317 20 10 GICDRN CN(Cc1csc(-c2ccccc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571983 818340607 /nfs/dbraw/zinc/34/06/07/818340607.db2.gz APUCPWMBHGEVIS-UHFFFAOYSA-N 0 0 379.529 4.279 20 10 GICDRN COc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1OC(C)C ZINC000016441270 818442779 /nfs/dbraw/zinc/44/27/79/818442779.db2.gz LDACRVXPYFEQQX-YBEGLDIGSA-N 0 0 386.498 4.283 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000019357742 818591843 /nfs/dbraw/zinc/59/18/43/818591843.db2.gz NRGZONVLUKRZSD-UHFFFAOYSA-N 0 0 391.496 4.189 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020498581 818623759 /nfs/dbraw/zinc/62/37/59/818623759.db2.gz SNCGLKSOEHNHFJ-UHFFFAOYSA-N 0 0 380.448 4.048 20 10 GICDRN CC(C)[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000022426380 818805181 /nfs/dbraw/zinc/80/51/81/818805181.db2.gz UMJRIQDCFFUWJB-QFIPXVFZSA-N 0 0 381.520 4.062 20 10 GICDRN O[C@H](CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)CC(F)(F)F ZINC000189341779 823397311 /nfs/dbraw/zinc/39/73/11/823397311.db2.gz GZOUQEDHFRZYCQ-GJZGRUSLSA-N 0 0 386.439 4.135 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c(C)n1-c1ccccn1 ZINC000122720880 823400213 /nfs/dbraw/zinc/40/02/13/823400213.db2.gz GAGCLUIYGSGWOX-KRWDZBQOSA-N 0 0 393.512 4.428 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cccc2[nH]ccc21)c1ccc(N)cc1 ZINC000189447854 823419014 /nfs/dbraw/zinc/41/90/14/823419014.db2.gz FSWSLHVZFCFKHI-MRXNPFEDSA-N 0 0 398.466 4.483 20 10 GICDRN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000058624657 823419005 /nfs/dbraw/zinc/41/90/05/823419005.db2.gz PYQSMCGODZGUOC-UHFFFAOYSA-N 0 0 394.519 4.294 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)cc1F)c1ccc(N)cc1 ZINC000189449693 823419402 /nfs/dbraw/zinc/41/94/02/823419402.db2.gz NTTJPLTZXZMCTH-CQSZACIVSA-N 0 0 395.409 4.280 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)cc1)c1ccc(N)cc1 ZINC000189449217 823419442 /nfs/dbraw/zinc/41/94/42/823419442.db2.gz VOWGDSSXOHEBPS-HNNXBMFYSA-N 0 0 377.419 4.141 20 10 GICDRN CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000058644283 823423201 /nfs/dbraw/zinc/42/32/01/823423201.db2.gz FDHHTINPZITXNO-UHFFFAOYSA-N 0 0 386.471 4.260 20 10 GICDRN Cc1c(C#N)cccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189449811 823419773 /nfs/dbraw/zinc/41/97/73/823419773.db2.gz HZQSJWMJZDGNIJ-KRWDZBQOSA-N 0 0 398.466 4.182 20 10 GICDRN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(O)c(O)c1 ZINC000189557299 823443350 /nfs/dbraw/zinc/44/33/50/823443350.db2.gz DFTXNJJGCRNFOF-UHFFFAOYSA-N 0 0 392.333 4.010 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027156666 820202130 /nfs/dbraw/zinc/20/21/30/820202130.db2.gz OUEYAMOEAFAYPK-XYOKQWHBSA-N 0 0 378.472 4.077 20 10 GICDRN CCN(Cc1ccccc1NC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O ZINC000027372608 820233263 /nfs/dbraw/zinc/23/32/63/820233263.db2.gz CJJKIJUPAMOTPX-UHFFFAOYSA-N 0 0 390.487 4.110 20 10 GICDRN CCc1cnc(CN(C)C(=O)NCc2ccc(N(CC)CC)c(F)c2)s1 ZINC000177499806 823477197 /nfs/dbraw/zinc/47/71/97/823477197.db2.gz HDJHVPNEQJVYDP-UHFFFAOYSA-N 0 0 378.517 4.032 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CSc2ccccc2Br)cc1 ZINC000029745099 820510736 /nfs/dbraw/zinc/51/07/36/820510736.db2.gz OKCNEFZTCSOFPI-UHFFFAOYSA-N 0 0 393.350 4.266 20 10 GICDRN Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc(Br)cc1 ZINC000029899535 820543648 /nfs/dbraw/zinc/54/36/48/820543648.db2.gz GAIZHZGSPQVMKR-UHFFFAOYSA-N 0 0 384.277 4.182 20 10 GICDRN Cc1cc2cc(NC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2[nH]1 ZINC000123383747 823503930 /nfs/dbraw/zinc/50/39/30/823503930.db2.gz VGMZJWLDGLAWMO-UHFFFAOYSA-N 0 0 392.503 4.007 20 10 GICDRN CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c1 ZINC000060162104 823510582 /nfs/dbraw/zinc/51/05/82/823510582.db2.gz UTPYSPFBMOSJLI-UHFFFAOYSA-N 0 0 395.503 4.050 20 10 GICDRN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180698246 821401289 /nfs/dbraw/zinc/40/12/89/821401289.db2.gz BBBVMAZZSULQDX-STRFDMGBSA-N 0 0 380.469 4.420 20 10 GICDRN Fc1cc(CNCc2ccc(Oc3ccccc3)o2)ccc1N1CCOCC1 ZINC000180799083 821464589 /nfs/dbraw/zinc/46/45/89/821464589.db2.gz RMZCKMXBFUPWIQ-UHFFFAOYSA-N 0 0 382.435 4.337 20 10 GICDRN Cc1[nH]c2ccccc2c1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180958327 821556745 /nfs/dbraw/zinc/55/67/45/821556745.db2.gz KBJHAILEFLQTSR-VQHVLOKHSA-N 0 0 376.456 4.307 20 10 GICDRN C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cc(Br)ccc1O ZINC000181010111 821591124 /nfs/dbraw/zinc/59/11/24/821591124.db2.gz OFUFBVVOGXWBFI-CYBMUJFWSA-N 0 0 376.298 4.001 20 10 GICDRN COc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000181055783 821612693 /nfs/dbraw/zinc/61/26/93/821612693.db2.gz YUFHSLLJUIFXJS-KHMHUBCMSA-N 0 0 375.424 4.025 20 10 GICDRN COc1ccc(N(Cc2cccs2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181063507 821615036 /nfs/dbraw/zinc/61/50/36/821615036.db2.gz WKUAYCIINRMGBZ-VZUCSPMQSA-N 0 0 381.453 4.415 20 10 GICDRN N#Cc1ccc(/C=C2/SC(=S)N(c3cccc(OC(F)(F)F)c3)C2=O)o1 ZINC000181360044 821786498 /nfs/dbraw/zinc/78/64/98/821786498.db2.gz AQXIHALLZZABJG-NTUHNPAUSA-N 0 0 396.371 4.456 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC000181419349 821816654 /nfs/dbraw/zinc/81/66/54/821816654.db2.gz VZZPRSDWXMSEBZ-SNVBAGLBSA-N 0 0 384.354 4.067 20 10 GICDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nnc(C2CC2)n1C1CC1 ZINC000181441823 821827859 /nfs/dbraw/zinc/82/78/59/821827859.db2.gz TZTIDIDIUCVSPH-UHFFFAOYSA-N 0 0 378.398 4.342 20 10 GICDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181583384 821889317 /nfs/dbraw/zinc/88/93/17/821889317.db2.gz ZQEQDOGMWBQATQ-MRXNPFEDSA-N 0 0 391.427 4.407 20 10 GICDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000181585353 821890378 /nfs/dbraw/zinc/89/03/78/821890378.db2.gz RVIOFEJEFXZBNA-GOSISDBHSA-N 0 0 398.466 4.377 20 10 GICDRN C[C@@H](Nc1ccccc1OCC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000182491880 822265385 /nfs/dbraw/zinc/26/53/85/822265385.db2.gz OZAPPGSKIXRZSP-CQSZACIVSA-N 0 0 380.410 4.479 20 10 GICDRN COc1ccc2c(c1)c(C(=O)NCc1ccc(O)c(O)c1)c(C)n2C1CCCC1 ZINC000182511681 822275939 /nfs/dbraw/zinc/27/59/39/822275939.db2.gz VNXZUHDFODGMSM-UHFFFAOYSA-N 0 0 394.471 4.415 20 10 GICDRN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccc(O)c(O)c3)cc12 ZINC000182522661 822281280 /nfs/dbraw/zinc/28/12/80/822281280.db2.gz SYYLQNVABHGBEX-UHFFFAOYSA-N 0 0 393.468 4.045 20 10 GICDRN CCC1(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC000178154767 822335582 /nfs/dbraw/zinc/33/55/82/822335582.db2.gz VYANHYPJDXZIHF-KAMYIIQDSA-N 0 0 394.587 4.036 20 10 GICDRN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000182657724 822341162 /nfs/dbraw/zinc/34/11/62/822341162.db2.gz FXSFHEGETTXRCX-NRFANRHFSA-N 0 0 393.535 4.230 20 10 GICDRN O=S(=O)(c1cccc2cccnc21)N(Cc1ccccc1O)C1CCCC1 ZINC000178727799 822405827 /nfs/dbraw/zinc/40/58/27/822405827.db2.gz ASPPTTKUCZHYLV-UHFFFAOYSA-N 0 0 382.485 4.074 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000045720273 822407872 /nfs/dbraw/zinc/40/78/72/822407872.db2.gz BDKPORMECXKMGL-INIZCTEOSA-N 0 0 382.508 4.004 20 10 GICDRN Cc1nc(-c2cccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)c2)oc1C ZINC000183034109 822414958 /nfs/dbraw/zinc/41/49/58/822414958.db2.gz LYJPNTBMWXCSOH-UHFFFAOYSA-N 0 0 392.459 4.455 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000046150739 822444594 /nfs/dbraw/zinc/44/45/94/822444594.db2.gz AXKXIDRUVKGBMM-UHFFFAOYSA-N 0 0 390.483 4.451 20 10 GICDRN O=C(NCCCSc1nccs1)NCc1ccccc1N1CCCCC1 ZINC000183288636 822453669 /nfs/dbraw/zinc/45/36/69/822453669.db2.gz MJGYCIQCFVSCNC-UHFFFAOYSA-N 0 0 390.578 4.115 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000183418793 822471612 /nfs/dbraw/zinc/47/16/12/822471612.db2.gz WIIQZZQKBDTENB-CQSZACIVSA-N 0 0 375.424 4.287 20 10 GICDRN Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c(O)c1O ZINC000179505427 822492734 /nfs/dbraw/zinc/49/27/34/822492734.db2.gz WCCUSHQCBUGNNH-MHZLTWQESA-N 0 0 387.501 4.240 20 10 GICDRN CCCc1c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cnn1-c1ccccc1 ZINC000183651938 822506297 /nfs/dbraw/zinc/50/62/97/822506297.db2.gz IWTXNMAWNRNALF-HNNXBMFYSA-N 0 0 379.460 4.030 20 10 GICDRN CCC(CC)[C@H]1C[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)CCO1 ZINC000183756835 822523265 /nfs/dbraw/zinc/52/32/65/822523265.db2.gz LSLFYZVKMFENFC-PZJWPPBQSA-N 0 0 375.557 4.268 20 10 GICDRN CC(C)c1csc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000047380425 822572855 /nfs/dbraw/zinc/57/28/55/822572855.db2.gz FDMLTOLSFZFNRN-UHFFFAOYSA-N 0 0 376.551 4.141 20 10 GICDRN CC(=O)Nc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047388941 822573718 /nfs/dbraw/zinc/57/37/18/822573718.db2.gz RQHFRDWXPDJXPX-UHFFFAOYSA-N 0 0 379.416 4.178 20 10 GICDRN C[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000179971919 822588172 /nfs/dbraw/zinc/58/81/72/822588172.db2.gz IESCARVNFJMPHJ-SFHVURJKSA-N 0 0 381.520 4.494 20 10 GICDRN COc1cc(/C=C(/C(=O)N(C)Cc2ccccc2O)c2ccccc2)ccc1O ZINC000180162509 822630014 /nfs/dbraw/zinc/63/00/14/822630014.db2.gz ZIDYZISWNPZDED-XSFVSMFZSA-N 0 0 389.451 4.306 20 10 GICDRN CSCCCN1C(=O)/C(=C\c2ccccc2Br)SC1=S ZINC000048392334 822658866 /nfs/dbraw/zinc/65/88/66/822658866.db2.gz LLXBUDRUALDEOD-FMIVXFBMSA-N 0 0 388.377 4.403 20 10 GICDRN CSCc1ccccc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000184820774 822695575 /nfs/dbraw/zinc/69/55/75/822695575.db2.gz CNLFZNQBAGIWBW-UHFFFAOYSA-N 0 0 387.574 4.425 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000174425275 822788189 /nfs/dbraw/zinc/78/81/89/822788189.db2.gz WEDQSEGMJUPZLE-SECBINFHSA-N 0 0 383.217 4.185 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000053052015 822819961 /nfs/dbraw/zinc/81/99/61/822819961.db2.gz UIDHXYOMVPVMNU-FQEVSTJZSA-N 0 0 399.498 4.157 20 10 GICDRN CN(C)c1ccc(N2C(=O)/C(=C\c3csc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000053105448 822821930 /nfs/dbraw/zinc/82/19/30/822821930.db2.gz ZWVNLSPPVLRGAP-NTUHNPAUSA-N 0 0 391.499 4.128 20 10 GICDRN Cc1cc2occ(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c2cc1C ZINC000185960315 822837826 /nfs/dbraw/zinc/83/78/26/822837826.db2.gz XVKPTNWXIULECT-UHFFFAOYSA-N 0 0 396.462 4.080 20 10 GICDRN COCCN(Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccc(OC)c(OC)c1 ZINC000174799516 822838830 /nfs/dbraw/zinc/83/88/30/822838830.db2.gz HXCFAXCMMUVQJS-UHFFFAOYSA-N 0 0 397.471 4.080 20 10 GICDRN CCOCc1ccc(CNC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000053571059 822841158 /nfs/dbraw/zinc/84/11/58/822841158.db2.gz OXBMEKCRXLVYAQ-UHFFFAOYSA-N 0 0 395.528 4.032 20 10 GICDRN COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC(C)C ZINC000186005907 822843230 /nfs/dbraw/zinc/84/32/30/822843230.db2.gz BMMWGRFIXFBTGS-JOCHJYFZSA-N 0 0 399.535 4.069 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2cccc(Cl)c2)CC1 ZINC000054035904 822860339 /nfs/dbraw/zinc/86/03/39/822860339.db2.gz WOTXODPDODZGOJ-UHFFFAOYSA-N 0 0 386.948 4.241 20 10 GICDRN C[C@@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1O ZINC000186260965 822866491 /nfs/dbraw/zinc/86/64/91/822866491.db2.gz YDDYECUDTZWTBT-QGZVFWFLSA-N 0 0 390.483 4.120 20 10 GICDRN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)on1 ZINC000186266017 822867046 /nfs/dbraw/zinc/86/70/46/822867046.db2.gz JTTYGEDMNIVQAA-UHFFFAOYSA-N 0 0 381.379 4.384 20 10 GICDRN CC(C)c1nc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000186270332 822867891 /nfs/dbraw/zinc/86/78/91/822867891.db2.gz YERHZEDDBTWIHT-AWEZNQCLSA-N 0 0 377.529 4.218 20 10 GICDRN CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(Br)cc2O)c1 ZINC000186292051 822871988 /nfs/dbraw/zinc/87/19/88/822871988.db2.gz PBDDRRABKDSMOJ-VXGBXAGGSA-N 0 0 393.281 4.301 20 10 GICDRN CCCC(=O)Nc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000175133922 822889246 /nfs/dbraw/zinc/88/92/46/822889246.db2.gz DACJGTKRVLXCKD-UHFFFAOYSA-N 0 0 395.503 4.009 20 10 GICDRN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(Br)cc1O ZINC000186528999 822909154 /nfs/dbraw/zinc/90/91/54/822909154.db2.gz CYSBRBCDEMMOQH-JTQLQIEISA-N 0 0 376.254 4.305 20 10 GICDRN Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786876 822913283 /nfs/dbraw/zinc/91/32/83/822913283.db2.gz XKHAOMFRAIERET-QGZVFWFLSA-N 0 0 393.487 4.138 20 10 GICDRN Cn1cccc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175322039 822934690 /nfs/dbraw/zinc/93/46/90/822934690.db2.gz HIUDPYZBTWJAMG-OAQYLSRUSA-N 0 0 398.576 4.015 20 10 GICDRN Cc1cc(C(=O)Cn2ccnc2[C@@H](O)c2ccco2)c(C)n1-c1cccc(C)c1 ZINC000186795372 822956620 /nfs/dbraw/zinc/95/66/20/822956620.db2.gz VWUHJBPKOQJXPF-QFIPXVFZSA-N 0 0 389.455 4.157 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175398953 822959223 /nfs/dbraw/zinc/95/92/23/822959223.db2.gz QTVFLMYYTOEZEB-PMACEKPBSA-N 0 0 399.560 4.146 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000186814433 822959631 /nfs/dbraw/zinc/95/96/31/822959631.db2.gz SVHQEZBVPUOBPW-UHFFFAOYSA-N 0 0 384.545 4.141 20 10 GICDRN O=C(Nc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1)c1ccco1 ZINC000055463338 822966639 /nfs/dbraw/zinc/96/66/39/822966639.db2.gz HEZXMAUNFIZTLU-UHFFFAOYSA-N 0 0 375.428 4.384 20 10 GICDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175453574 822972996 /nfs/dbraw/zinc/97/29/96/822972996.db2.gz VDNBNRMXUTVHDU-UHFFFAOYSA-N 0 0 395.503 4.039 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc4[nH]c(=O)oc43)ccc21 ZINC000569866817 822978232 /nfs/dbraw/zinc/97/82/32/822978232.db2.gz UAIRWFRITMWTBP-UHFFFAOYSA-N 0 0 379.416 4.004 20 10 GICDRN Cc1noc(CSc2ccccc2C(=O)N2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000175476666 822978436 /nfs/dbraw/zinc/97/84/36/822978436.db2.gz CXENERKSCJXNMS-NVXWUHKLSA-N 0 0 389.546 4.171 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)c1 ZINC000175570134 822999742 /nfs/dbraw/zinc/99/97/42/822999742.db2.gz AJSZVSRFWWNBKC-VXGBXAGGSA-N 0 0 398.381 4.421 20 10 GICDRN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)s1 ZINC000175616841 823007290 /nfs/dbraw/zinc/00/72/90/823007290.db2.gz QSXRSQQHLMCGET-CYBMUJFWSA-N 0 0 380.966 4.375 20 10 GICDRN C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(Cl)s1 ZINC000175616824 823007300 /nfs/dbraw/zinc/00/73/00/823007300.db2.gz QSXRSQQHLMCGET-ZDUSSCGKSA-N 0 0 380.966 4.375 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000175637849 823010832 /nfs/dbraw/zinc/01/08/32/823010832.db2.gz CNIBQINTQHPHQI-VGOFRKELSA-N 0 0 397.494 4.098 20 10 GICDRN Cc1ncsc1/C=C/C(=O)N(Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000187106865 823011309 /nfs/dbraw/zinc/01/13/09/823011309.db2.gz QFHJTHLEVMTCNN-VAWYXSNFSA-N 0 0 378.501 4.159 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)CC2)cc1 ZINC000175747236 823031225 /nfs/dbraw/zinc/03/12/25/823031225.db2.gz JIZIPFOWMQJSIQ-WZONZLPQSA-N 0 0 393.531 4.252 20 10 GICDRN CC(C)c1ncc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)s1 ZINC000123949195 823554336 /nfs/dbraw/zinc/55/43/36/823554336.db2.gz LQBFTPMZRWCHRS-RIYZIHGNSA-N 0 0 375.544 4.105 20 10 GICDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000123964097 823555947 /nfs/dbraw/zinc/55/59/47/823555947.db2.gz GTTUCRRPAGTGOQ-MRXNPFEDSA-N 0 0 379.508 4.049 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(OC2CCOCC2)CC1 ZINC000124066365 823564590 /nfs/dbraw/zinc/56/45/90/823564590.db2.gz SRUGADKNFDBBOL-UHFFFAOYSA-N 0 0 396.531 4.203 20 10 GICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124159041 823573101 /nfs/dbraw/zinc/57/31/01/823573101.db2.gz PFPULGVATQLCTD-CYBMUJFWSA-N 0 0 395.334 4.397 20 10 GICDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000190551826 823585555 /nfs/dbraw/zinc/58/55/55/823585555.db2.gz OHAWJPWBSOUAEE-GFCCVEGCSA-N 0 0 382.382 4.023 20 10 GICDRN O=C(Nc1cccc(Cl)c1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124395733 823593255 /nfs/dbraw/zinc/59/32/55/823593255.db2.gz QSBYGLHDOCQODY-AWEZNQCLSA-N 0 0 378.831 4.398 20 10 GICDRN O=C(Nc1ccccc1N1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124419090 823595115 /nfs/dbraw/zinc/59/51/15/823595115.db2.gz PHTNWUGXNUXAFI-IBGZPJMESA-N 0 0 395.503 4.206 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCOC4(CCCCC4)C3)ccc21 ZINC000461340667 823620584 /nfs/dbraw/zinc/62/05/84/823620584.db2.gz ODIDGALZZMLNCO-UHFFFAOYSA-N 0 0 384.520 4.080 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000190920107 823624558 /nfs/dbraw/zinc/62/45/58/823624558.db2.gz QJMMGEMFRIEQRF-INIZCTEOSA-N 0 0 376.456 4.441 20 10 GICDRN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cccnc1Cl ZINC000062226592 823624905 /nfs/dbraw/zinc/62/49/05/823624905.db2.gz KDPOPLLQMBJBFS-UHFFFAOYSA-N 0 0 399.800 4.032 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000190944752 823628355 /nfs/dbraw/zinc/62/83/55/823628355.db2.gz VUVBGBUPHREHSP-OAHLLOKOSA-N 0 0 396.443 4.160 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000124828934 823629364 /nfs/dbraw/zinc/62/93/64/823629364.db2.gz DDYQOPOVYNJCIF-UHFFFAOYSA-N 0 0 399.442 4.211 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000190986303 823634841 /nfs/dbraw/zinc/63/48/41/823634841.db2.gz VRUACMMQVRMLCZ-NSHDSACASA-N 0 0 394.418 4.306 20 10 GICDRN Cc1c([C@H](C)NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cnn1C ZINC000063068132 823649900 /nfs/dbraw/zinc/64/99/00/823649900.db2.gz PEWLKJGOVTTZDW-INIZCTEOSA-N 0 0 383.540 4.058 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC([C@H]4CCCO4)CC3)c2C)cc1 ZINC000191114266 823650541 /nfs/dbraw/zinc/65/05/41/823650541.db2.gz GRCIUDGXHVRPGM-JOCHJYFZSA-N 0 0 382.504 4.134 20 10 GICDRN COc1ccc2c(c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CCC2 ZINC000191332116 823672903 /nfs/dbraw/zinc/67/29/03/823672903.db2.gz UEOMMISIQGMCHZ-SFHVURJKSA-N 0 0 396.487 4.103 20 10 GICDRN CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000125458001 823677748 /nfs/dbraw/zinc/67/77/48/823677748.db2.gz LTMPNJUMPKANDZ-OALUTQOASA-N 0 0 393.622 4.055 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000191407780 823681622 /nfs/dbraw/zinc/68/16/22/823681622.db2.gz AZSGHYNPMNZLNI-UHFFFAOYSA-N 0 0 398.463 4.011 20 10 GICDRN Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c(C)n1-c1ccc(Br)cc1 ZINC000063838390 823700827 /nfs/dbraw/zinc/70/08/27/823700827.db2.gz PLLRCMKVJWBZDY-UHFFFAOYSA-N 0 0 387.281 4.449 20 10 GICDRN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1OCCCC#N ZINC000064367374 823801442 /nfs/dbraw/zinc/80/14/42/823801442.db2.gz FDBSJCLMYCKHKN-RGEXLXHISA-N 0 0 399.516 4.270 20 10 GICDRN COc1ccc2[nH]cc(C3=CCN(c4ncccc4-c4nc(C)no4)CC3)c2c1 ZINC000462091353 823825683 /nfs/dbraw/zinc/82/56/83/823825683.db2.gz YXSYBNOKNMJGHB-UHFFFAOYSA-N 0 0 387.443 4.224 20 10 GICDRN CC(C)CC(=O)Nc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000064772060 823883803 /nfs/dbraw/zinc/88/38/03/823883803.db2.gz KZSFQIDQTPAZLM-UHFFFAOYSA-N 0 0 396.535 4.079 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4ncsc4c3)CC2)cc1 ZINC000170666991 823929590 /nfs/dbraw/zinc/92/95/90/823929590.db2.gz CLFQDKSFWKBIHL-UHFFFAOYSA-N 0 0 382.489 4.095 20 10 GICDRN CN(c1ccc(CNC(=O)NCc2nccn2C(F)F)cc1)C1CCCCC1 ZINC000170687991 823939661 /nfs/dbraw/zinc/93/96/61/823939661.db2.gz QJYIIQVMPISMAR-UHFFFAOYSA-N 0 0 391.466 4.047 20 10 GICDRN COc1ccc(N(Cc2cccs2)Cc2noc(C3CCOCC3)n2)cc1 ZINC000170723688 823953912 /nfs/dbraw/zinc/95/39/12/823953912.db2.gz GDWJJMJTQSIUNP-UHFFFAOYSA-N 0 0 385.489 4.241 20 10 GICDRN COc1cc(Cl)cc(CN[C@@H](c2noc(C3CC3)n2)c2ccccc2)c1O ZINC000359962350 212127373 /nfs/dbraw/zinc/12/73/73/212127373.db2.gz VIDZKMOWCDREDV-QGZVFWFLSA-N 0 0 385.851 4.194 20 10 GICDRN CO[C@@H](C)c1nc(C)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000175813197 823046169 /nfs/dbraw/zinc/04/61/69/823046169.db2.gz TZXGAQUQYCIMOB-INIZCTEOSA-N 0 0 387.549 4.421 20 10 GICDRN Cc1ccc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000175861529 823057506 /nfs/dbraw/zinc/05/75/06/823057506.db2.gz CIIYGMPBBNBSJF-INIZCTEOSA-N 0 0 382.464 4.064 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000175868008 823059666 /nfs/dbraw/zinc/05/96/66/823059666.db2.gz MKFZXNYQFKTQTE-UHFFFAOYSA-N 0 0 382.504 4.107 20 10 GICDRN Cc1ccc(C(=O)CCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000120819540 823070697 /nfs/dbraw/zinc/07/06/97/823070697.db2.gz RTHAPXKYHBBRAF-UHFFFAOYSA-N 0 0 377.440 4.486 20 10 GICDRN COc1ccc([C@H](C)CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000176154893 823138096 /nfs/dbraw/zinc/13/80/96/823138096.db2.gz URXSDKREDHYCAH-UTKZUKDTSA-N 0 0 383.488 4.102 20 10 GICDRN Cc1coc2ccc(NC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc12 ZINC000187949256 823162615 /nfs/dbraw/zinc/16/26/15/823162615.db2.gz KIAXFNGOZAWOBU-UHFFFAOYSA-N 0 0 379.460 4.242 20 10 GICDRN CCCOc1cccc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000056592025 823176335 /nfs/dbraw/zinc/17/63/35/823176335.db2.gz LNASJICFJDMSRT-UHFFFAOYSA-N 0 0 383.492 4.228 20 10 GICDRN CC(=O)N(c1nc(CN(C)c2ccc3c(c2)OCO3)cs1)c1ccccc1F ZINC000121399266 823177482 /nfs/dbraw/zinc/17/74/82/823177482.db2.gz NLKVKFYLRHCLEW-UHFFFAOYSA-N 0 0 399.447 4.332 20 10 GICDRN CCCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1 ZINC000056747552 823205996 /nfs/dbraw/zinc/20/59/96/823205996.db2.gz RFOOQCJWNBPVJB-UHFFFAOYSA-N 0 0 383.492 4.147 20 10 GICDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc2[nH]ccc21 ZINC000176470724 823215179 /nfs/dbraw/zinc/21/51/79/823215179.db2.gz KWYXAMOLHCTXAH-AWEZNQCLSA-N 0 0 385.414 4.168 20 10 GICDRN CCc1ccc(C(C)(C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000176646626 823256614 /nfs/dbraw/zinc/25/66/14/823256614.db2.gz OJFQCFHGCNCHLE-UHFFFAOYSA-N 0 0 394.559 4.052 20 10 GICDRN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1O ZINC000001242057 817375947 /nfs/dbraw/zinc/37/59/47/817375947.db2.gz KJMOIFNDRGRHGU-MHWRWJLKSA-N 0 0 375.446 4.336 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000121888936 823270585 /nfs/dbraw/zinc/27/05/85/823270585.db2.gz CPACZPSBWZXHDL-SIKLNZKXSA-N 0 0 399.510 4.391 20 10 GICDRN COc1ccc(N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl ZINC000121889580 823271050 /nfs/dbraw/zinc/27/10/50/823271050.db2.gz HGUMQDFLHSEQEM-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1cccc(F)c1 ZINC000006636885 817713202 /nfs/dbraw/zinc/71/32/02/817713202.db2.gz HQBGJUGKXQGUSP-UHFFFAOYSA-N 0 0 386.810 4.321 20 10 GICDRN CC(=O)c1c[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000007191604 817787621 /nfs/dbraw/zinc/78/76/21/817787621.db2.gz VVIZFFHEGDTMNZ-UHFFFAOYSA-N 0 0 392.455 4.281 20 10 GICDRN Cc1cc(C(=O)COC(=O)Cc2noc3ccccc32)c(C)n1-c1ccccc1 ZINC000007371748 817826108 /nfs/dbraw/zinc/82/61/08/817826108.db2.gz PURJMFZECOIZBJ-UHFFFAOYSA-N 0 0 388.423 4.204 20 10 GICDRN COc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1OC(F)F ZINC000007587391 817875414 /nfs/dbraw/zinc/87/54/14/817875414.db2.gz XHMBXWJOWXJYTK-JYRVWZFOSA-N 0 0 394.424 4.097 20 10 GICDRN COc1ccc(-c2ccc(C(=O)NCCc3ccc(O)c(O)c3)c(F)c2)c(F)c1 ZINC000122069253 823301445 /nfs/dbraw/zinc/30/14/45/823301445.db2.gz DSYXVWPLMOURDW-UHFFFAOYSA-N 0 0 399.393 4.024 20 10 GICDRN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885014 817951026 /nfs/dbraw/zinc/95/10/26/817951026.db2.gz MWIQZPBQHUEDAA-JOCHJYFZSA-N 0 0 387.439 4.252 20 10 GICDRN O=C1/C(=C\c2cnn(-c3ccccc3)c2)SC(=S)N1c1ccc(F)cc1 ZINC000008199164 818016668 /nfs/dbraw/zinc/01/66/68/818016668.db2.gz HCSWRTVRXYGZMA-LICLKQGHSA-N 0 0 381.457 4.417 20 10 GICDRN COc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC ZINC000015626159 818349782 /nfs/dbraw/zinc/34/97/82/818349782.db2.gz CKMSSXJADFZXHC-UHFFFAOYSA-N 0 0 380.444 4.372 20 10 GICDRN Cc1c2cc(Br)ccc2oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000016501604 818450456 /nfs/dbraw/zinc/45/04/56/818450456.db2.gz QBPORFIJUXIGKJ-UHFFFAOYSA-N 0 0 387.277 4.500 20 10 GICDRN COc1ccc(CNC(=S)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000018945091 818582098 /nfs/dbraw/zinc/58/20/98/818582098.db2.gz GRNAGBNYVUNFGB-UHFFFAOYSA-N 0 0 383.561 4.192 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000122397398 823348980 /nfs/dbraw/zinc/34/89/80/823348980.db2.gz HYGHUEGMQLIBJL-NRFANRHFSA-N 0 0 397.471 4.429 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000022136443 818775772 /nfs/dbraw/zinc/77/57/72/818775772.db2.gz OLCDYOHUILLYFP-HXUWFJFHSA-N 0 0 393.531 4.082 20 10 GICDRN CCCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(N(C)C)cc2)c1=S ZINC000022367096 818798153 /nfs/dbraw/zinc/79/81/53/818798153.db2.gz VPPGCVJXMWLQDS-UHFFFAOYSA-N 0 0 396.564 4.042 20 10 GICDRN COCCc1noc(CN(C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000122527098 823367217 /nfs/dbraw/zinc/36/72/17/823367217.db2.gz PGXPIYXMUJECEP-UHFFFAOYSA-N 0 0 389.540 4.191 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189166194 823368694 /nfs/dbraw/zinc/36/86/94/823368694.db2.gz IMIFHRAHIPEWQR-HNNXBMFYSA-N 0 0 391.427 4.286 20 10 GICDRN CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c2cnn(C(C)C)c2n1 ZINC000023744823 818978779 /nfs/dbraw/zinc/97/87/79/818978779.db2.gz CDQJMGHIWLBYRZ-UHFFFAOYSA-N 0 0 393.535 4.474 20 10 GICDRN COCCCOc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000177136050 823379748 /nfs/dbraw/zinc/37/97/48/823379748.db2.gz SPQRVFORMKIAEN-UHFFFAOYSA-N 0 0 383.492 4.024 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)COCc2nc3ccccc3s2)cc1 ZINC000024187563 819030981 /nfs/dbraw/zinc/03/09/81/819030981.db2.gz KGGFKIGKIUKIJO-UHFFFAOYSA-N 0 0 397.544 4.318 20 10 GICDRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2ccccc2c1 ZINC000177156122 823385666 /nfs/dbraw/zinc/38/56/66/823385666.db2.gz TYUYMAIYRDECMU-KRWDZBQOSA-N 0 0 392.474 4.235 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000189445708 823418421 /nfs/dbraw/zinc/41/84/21/823418421.db2.gz IMAJXKKZGCZQKE-QGZVFWFLSA-N 0 0 399.494 4.490 20 10 GICDRN CCCC(=O)Nc1cccc(NC(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000058644279 823423252 /nfs/dbraw/zinc/42/32/52/823423252.db2.gz BQDYRZKLXDRYLG-UHFFFAOYSA-N 0 0 394.519 4.438 20 10 GICDRN CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(N(C)C)cc2)c1=S ZINC000024980271 819903707 /nfs/dbraw/zinc/90/37/07/819903707.db2.gz JOLPBPFAAIBKDK-UHFFFAOYSA-N 0 0 387.578 4.318 20 10 GICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(OC(F)F)cc3)C2=O)nc1 ZINC000122981132 823443511 /nfs/dbraw/zinc/44/35/11/823443511.db2.gz CXRXZFLWLKSOFA-RIYZIHGNSA-N 0 0 378.425 4.397 20 10 GICDRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cnn(Cc2ccccc2)c1 ZINC000027122301 820196415 /nfs/dbraw/zinc/19/64/15/820196415.db2.gz BPDADAPNYDFTDE-LICLKQGHSA-N 0 0 388.858 4.239 20 10 GICDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000177571957 823494039 /nfs/dbraw/zinc/49/40/39/823494039.db2.gz BXDAUPRWLUWMHO-IBGZPJMESA-N 0 0 388.511 4.439 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1 ZINC000123313483 823494992 /nfs/dbraw/zinc/49/49/92/823494992.db2.gz VCQBYTLHZFATJZ-UHFFFAOYSA-N 0 0 383.389 4.252 20 10 GICDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000030830306 820688915 /nfs/dbraw/zinc/68/89/15/820688915.db2.gz KQCNCVTVPKFRQE-UHFFFAOYSA-N 0 0 380.448 4.048 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000031265377 820781302 /nfs/dbraw/zinc/78/13/02/820781302.db2.gz LNMWFJDIBOBTQC-SFHVURJKSA-N 0 0 391.427 4.061 20 10 GICDRN CC(C)[C@@H](NC(=O)NCCCSc1nccs1)c1nc2ccccc2[nH]1 ZINC000177721989 823516751 /nfs/dbraw/zinc/51/67/51/823516751.db2.gz RIYOMNKOOZIHQS-OAHLLOKOSA-N 0 0 389.550 4.198 20 10 GICDRN CCCC(=O)Nc1cccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000041135973 821172987 /nfs/dbraw/zinc/17/29/87/821172987.db2.gz SLMWSOSIHLUMFA-UHFFFAOYSA-N 0 0 394.519 4.025 20 10 GICDRN CC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000043656044 821437145 /nfs/dbraw/zinc/43/71/45/821437145.db2.gz KYZWHDWJUVKWEP-UHFFFAOYSA-N 0 0 380.492 4.299 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000180767475 821443781 /nfs/dbraw/zinc/44/37/81/821443781.db2.gz BZPSDWSPNJUPLS-UHFFFAOYSA-N 0 0 382.439 4.470 20 10 GICDRN COc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000180803194 821466721 /nfs/dbraw/zinc/46/67/21/821466721.db2.gz BRTFZZOATVPTBR-WEVVVXLNSA-N 0 0 383.375 4.085 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3ccnc(SC(C)(C)C)c3)CC2)cc1 ZINC000180820083 821479360 /nfs/dbraw/zinc/47/93/60/821479360.db2.gz YSMYGYWDFJMTGT-UHFFFAOYSA-N 0 0 399.560 4.333 20 10 GICDRN COC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1F ZINC000180918521 821537206 /nfs/dbraw/zinc/53/72/06/821537206.db2.gz CPISDRMKUTZIRO-UHFFFAOYSA-N 0 0 382.395 4.059 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000181090623 821627752 /nfs/dbraw/zinc/62/77/52/821627752.db2.gz WPNMNDKCQPXKBV-LNMUWQJVSA-N 0 0 393.464 4.058 20 10 GICDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(C)n1-c1ccccn1 ZINC000181103799 821634280 /nfs/dbraw/zinc/63/42/80/821634280.db2.gz CMKKRJMQCWBAHU-CTNGQTDRSA-N 0 0 395.890 4.403 20 10 GICDRN COc1ccc(N(Cc2ccco2)Cc2nnc(C3CC3)n2C2CC2)cc1F ZINC000181467123 821840029 /nfs/dbraw/zinc/84/00/29/821840029.db2.gz JILOSYWSKXQQEN-UHFFFAOYSA-N 0 0 382.439 4.438 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2C ZINC000181579192 821887066 /nfs/dbraw/zinc/88/70/66/821887066.db2.gz OFIGHRMPYHQEFD-INIZCTEOSA-N 0 0 386.455 4.078 20 10 GICDRN Cc1csc(=O)n1CCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181584319 821889880 /nfs/dbraw/zinc/88/98/80/821889880.db2.gz DLQYSEDQRSDPGH-KRWDZBQOSA-N 0 0 396.512 4.104 20 10 GICDRN CC(=O)Nc1nc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cs1 ZINC000181585705 821890633 /nfs/dbraw/zinc/89/06/33/821890633.db2.gz AEHQYQRRCZLPGG-AWEZNQCLSA-N 0 0 395.484 4.211 20 10 GICDRN COC(=O)c1ccc(-c2nc(COc3ccc(N4CCCC4)cc3)co2)cc1 ZINC000181682112 821942121 /nfs/dbraw/zinc/94/21/21/821942121.db2.gz CGUGKCKSKDMEGX-UHFFFAOYSA-N 0 0 378.428 4.307 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(CCC(F)(F)F)c1 ZINC000181898497 822030198 /nfs/dbraw/zinc/03/01/98/822030198.db2.gz SKWMFYGEOPMEJA-UHFFFAOYSA-N 0 0 394.441 4.098 20 10 GICDRN N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182544660 822294308 /nfs/dbraw/zinc/29/43/08/822294308.db2.gz SDWTUQGSSDXPRA-UHFFFAOYSA-N 0 0 390.464 4.192 20 10 GICDRN O=C(Nc1ccc(-c2ncco2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182559667 822302585 /nfs/dbraw/zinc/30/25/85/822302585.db2.gz DPBJRUGIVDBVTB-IBGZPJMESA-N 0 0 393.443 4.260 20 10 GICDRN COc1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2O)cc1Br ZINC000045182844 822368418 /nfs/dbraw/zinc/36/84/18/822368418.db2.gz BWTGQDHCPNDGEP-LBPRGKRZSA-N 0 0 393.281 4.066 20 10 GICDRN O=C(NCCCSc1nccs1)c1ccc(C(F)(F)F)nc1Cl ZINC000178552879 822391134 /nfs/dbraw/zinc/39/11/34/822391134.db2.gz BSFPVWYPTQFEQJ-UHFFFAOYSA-N 0 0 381.832 4.123 20 10 GICDRN CCC1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCC1 ZINC000178592085 822394595 /nfs/dbraw/zinc/39/45/95/822394595.db2.gz WEDLSXGPGLWBHT-OWBHPGMISA-N 0 0 394.587 4.178 20 10 GICDRN O=C1/C(=C/c2cc(F)cc(C(F)(F)F)c2)SC(=S)N1Cc1ccon1 ZINC000178725314 822405630 /nfs/dbraw/zinc/40/56/30/822405630.db2.gz DXUIOEHCPHLKJG-XGICHPGQSA-N 0 0 388.367 4.234 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(F)cc1Br ZINC000182995274 822407843 /nfs/dbraw/zinc/40/78/43/822407843.db2.gz NSPBSXPVHARURX-UHFFFAOYSA-N 0 0 394.244 4.085 20 10 GICDRN COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)sc1Br ZINC000178923247 822422139 /nfs/dbraw/zinc/42/21/39/822422139.db2.gz XQDFGZHPVCRSQH-UHFFFAOYSA-N 0 0 395.322 4.049 20 10 GICDRN Cc1cccc(OC(F)F)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183084787 822422595 /nfs/dbraw/zinc/42/25/95/822422595.db2.gz MSHCAKCPCZBYQX-UHFFFAOYSA-N 0 0 377.391 4.093 20 10 GICDRN COc1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1O ZINC000183331866 822459988 /nfs/dbraw/zinc/45/99/88/822459988.db2.gz DOMHFCUHWYUYSO-UKTHLTGXSA-N 0 0 380.488 4.063 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000183460449 822478540 /nfs/dbraw/zinc/47/85/40/822478540.db2.gz LXDVCTFTXFCCAI-INIZCTEOSA-N 0 0 383.488 4.099 20 10 GICDRN CCCOCc1ccccc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000046535709 822483468 /nfs/dbraw/zinc/48/34/68/822483468.db2.gz QGPBXJMXJORVJZ-UHFFFAOYSA-N 0 0 377.444 4.107 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000183597851 822499353 /nfs/dbraw/zinc/49/93/53/822499353.db2.gz RIUAIKMRVCEBBW-LLVKDONJSA-N 0 0 390.365 4.012 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1noc(C2CCOCC2)n1)Cc1ccccc1O ZINC000179642423 822518477 /nfs/dbraw/zinc/51/84/77/822518477.db2.gz PNOZDIJKTRYILF-KRWDZBQOSA-N 0 0 393.487 4.433 20 10 GICDRN COC(=O)COc1ccc(N(C)Cc2csc(-c3ccccc3OC)n2)cc1 ZINC000183799992 822529560 /nfs/dbraw/zinc/52/95/60/822529560.db2.gz QADRVOKSYDHRKI-UHFFFAOYSA-N 0 0 398.484 4.007 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000046983962 822535026 /nfs/dbraw/zinc/53/50/26/822535026.db2.gz GYBGFLDXKSFMOH-FQEVSTJZSA-N 0 0 399.560 4.239 20 10 GICDRN CCc1nn(C)cc1C=C1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O ZINC000179731319 822537251 /nfs/dbraw/zinc/53/72/51/822537251.db2.gz RHQMNDKKCSGOFI-AUWJEWJLSA-N 0 0 380.395 4.084 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)NCCc1c[nH]c2cccc(OC)c12 ZINC000183863237 822537790 /nfs/dbraw/zinc/53/77/90/822537790.db2.gz SKHBNAKAPLKCAZ-UHFFFAOYSA-N 0 0 381.476 4.046 20 10 GICDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047040808 822539387 /nfs/dbraw/zinc/53/93/87/822539387.db2.gz BSDWYKOVBCSJNW-MRXNPFEDSA-N 0 0 387.524 4.282 20 10 GICDRN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179739523 822539872 /nfs/dbraw/zinc/53/98/72/822539872.db2.gz ZCWATKIBFDXBIE-LLVKDONJSA-N 0 0 375.296 4.046 20 10 GICDRN O=C(CSc1nccs1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000047247489 822558363 /nfs/dbraw/zinc/55/83/63/822558363.db2.gz OSEAOQIJWFSFMJ-UHFFFAOYSA-N 0 0 375.544 4.251 20 10 GICDRN Cc1cc(Cl)ccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047325831 822566697 /nfs/dbraw/zinc/56/66/97/822566697.db2.gz RFIMSVYSPVMSKW-UHFFFAOYSA-N 0 0 391.874 4.070 20 10 GICDRN CCc1cccc(CC)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047344956 822568948 /nfs/dbraw/zinc/56/89/48/822568948.db2.gz LTWDUHWJLNGAGU-UHFFFAOYSA-N 0 0 399.510 4.233 20 10 GICDRN CCCc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047486388 822583142 /nfs/dbraw/zinc/58/31/42/822583142.db2.gz WISUWAXBSABGMB-UHFFFAOYSA-N 0 0 381.520 4.170 20 10 GICDRN COc1ccc(N2CCCN(C(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000184136774 822584136 /nfs/dbraw/zinc/58/41/36/822584136.db2.gz OWVRLXYVZRKAIN-UHFFFAOYSA-N 0 0 385.533 4.162 20 10 GICDRN C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179955224 822585191 /nfs/dbraw/zinc/58/51/91/822585191.db2.gz VTKGWYXDNKNAGO-ROUUACIJSA-N 0 0 399.510 4.061 20 10 GICDRN COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(C)C ZINC000184191015 822593618 /nfs/dbraw/zinc/59/36/18/822593618.db2.gz VFWDLHBUZSYKKL-UHFFFAOYSA-N 0 0 383.492 4.404 20 10 GICDRN CCCN(CCC)C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000047599813 822595181 /nfs/dbraw/zinc/59/51/81/822595181.db2.gz DILUUSXAVCPRDM-UHFFFAOYSA-N 0 0 383.492 4.318 20 10 GICDRN COc1cc(CN(Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256368 822604277 /nfs/dbraw/zinc/60/42/77/822604277.db2.gz ZGLJIDKXEZOPIT-UHFFFAOYSA-N 0 0 386.379 4.244 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C[S@@](C)=O ZINC000184319564 822614107 /nfs/dbraw/zinc/61/41/07/822614107.db2.gz NTJJHBLBVSDFOX-MUUNZHRXSA-N 0 0 399.560 4.219 20 10 GICDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000048101385 822632742 /nfs/dbraw/zinc/63/27/42/822632742.db2.gz PKHFRTSTOGLBFR-QGZVFWFLSA-N 0 0 394.519 4.089 20 10 GICDRN COc1ccc(N2CCC(NC(=O)NCc3ccc(C(F)F)cc3)CC2)cc1 ZINC000184460085 822639151 /nfs/dbraw/zinc/63/91/51/822639151.db2.gz QEEZBGKJNFJPKX-UHFFFAOYSA-N 0 0 389.446 4.101 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000184535679 822652980 /nfs/dbraw/zinc/65/29/80/822652980.db2.gz YLYNUESFOQRJHE-UHFFFAOYSA-N 0 0 396.539 4.438 20 10 GICDRN CCSc1cccc(/C=C2\SC(=S)N(c3cnn(CC)c3)C2=O)c1 ZINC000184581581 822661154 /nfs/dbraw/zinc/66/11/54/822661154.db2.gz UKFCOKGTJIAEKJ-DHDCSXOGSA-N 0 0 375.544 4.421 20 10 GICDRN Cc1csc([C@@H](C)CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000184699193 822678621 /nfs/dbraw/zinc/67/86/21/822678621.db2.gz UWFVCKQHKORCHL-ZDUSSCGKSA-N 0 0 378.501 4.264 20 10 GICDRN C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1ccc(F)cc1[O-] ZINC000185074440 822733191 /nfs/dbraw/zinc/73/31/91/822733191.db2.gz GBDDPKSSKAHPBH-MRXNPFEDSA-N 0 0 382.435 4.235 20 10 GICDRN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185306421 822762834 /nfs/dbraw/zinc/76/28/34/822762834.db2.gz OZAOHJMFQBPMSR-CVEARBPZSA-N 0 0 385.483 4.199 20 10 GICDRN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000174292328 822764500 /nfs/dbraw/zinc/76/45/00/822764500.db2.gz HWICJGTXWJIGMO-IRLDBZIGSA-N 0 0 381.520 4.028 20 10 GICDRN Cc1nnc([C@H](N[C@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324164 822766000 /nfs/dbraw/zinc/76/60/00/822766000.db2.gz YFMPGNXYXRBNPD-PIGZYNQJSA-N 0 0 387.281 4.021 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1 ZINC000174319595 822770469 /nfs/dbraw/zinc/77/04/69/822770469.db2.gz NBUQCUVPPDUXKW-UHFFFAOYSA-N 0 0 393.409 4.154 20 10 GICDRN CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000185423166 822781822 /nfs/dbraw/zinc/78/18/22/822781822.db2.gz NUJXIUPHPZFXEB-CQSZACIVSA-N 0 0 377.529 4.113 20 10 GICDRN CC(C)n1ncc2cc(C=CC(=O)N3CCC[C@@H](C)c4ccccc43)c(=O)[nH]c21 ZINC000185486330 822789678 /nfs/dbraw/zinc/78/96/78/822789678.db2.gz XMDSUZMTZZOOHH-SIFUEBAJSA-N 0 0 390.487 4.249 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Br)cnc1Cl ZINC000174511665 822799134 /nfs/dbraw/zinc/79/91/34/822799134.db2.gz PBLAVJRKZSULOH-UHFFFAOYSA-N 0 0 395.684 4.012 20 10 GICDRN CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185684315 822809739 /nfs/dbraw/zinc/80/97/39/822809739.db2.gz SHTHCIWJTWPIAV-HZMBPMFUSA-N 0 0 397.292 4.194 20 10 GICDRN CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185684337 822809785 /nfs/dbraw/zinc/80/97/85/822809785.db2.gz SHTHCIWJTWPIAV-IINYFYTJSA-N 0 0 397.292 4.194 20 10 GICDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174642187 822816444 /nfs/dbraw/zinc/81/64/44/822816444.db2.gz MNKONLSYFFXZDG-UHFFFAOYSA-N 0 0 390.487 4.395 20 10 GICDRN C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccccc1O ZINC000053916552 822852982 /nfs/dbraw/zinc/85/29/82/822852982.db2.gz DQZUHXMUUMSQTK-LBPRGKRZSA-N 0 0 380.307 4.294 20 10 GICDRN COCc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)nc3)C2=O)c1 ZINC000174913169 822854920 /nfs/dbraw/zinc/85/49/20/822854920.db2.gz YDNDUZBMMYCVLA-ZSOIEALJSA-N 0 0 376.890 4.287 20 10 GICDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000186211382 822861164 /nfs/dbraw/zinc/86/11/64/822861164.db2.gz CAIJZJRKRLVEHE-PZJWPPBQSA-N 0 0 386.492 4.291 20 10 GICDRN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)on1 ZINC000186250229 822864949 /nfs/dbraw/zinc/86/49/49/822864949.db2.gz NYUYXXJBOBBOOI-INIZCTEOSA-N 0 0 383.473 4.001 20 10 GICDRN C[C@H](Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1O ZINC000186260947 822866232 /nfs/dbraw/zinc/86/62/32/822866232.db2.gz YDDYECUDTZWTBT-KRWDZBQOSA-N 0 0 390.483 4.120 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(N3CCNC3=O)cc2)c(C)n1-c1ccccc1C ZINC000054324457 822876457 /nfs/dbraw/zinc/87/64/57/822876457.db2.gz RCKBDKCLIAFVRK-UHFFFAOYSA-N 0 0 388.471 4.184 20 10 GICDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175095372 822881468 /nfs/dbraw/zinc/88/14/68/822881468.db2.gz OVKPOALAUOYSOG-UHFFFAOYSA-N 0 0 393.487 4.250 20 10 GICDRN Cc1cccc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000175139304 822890051 /nfs/dbraw/zinc/89/00/51/822890051.db2.gz MBQYTSHWUYKPRW-UHFFFAOYSA-N 0 0 392.421 4.089 20 10 GICDRN COc1ccc(-c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c(F)c2)cc1 ZINC000186414789 822890587 /nfs/dbraw/zinc/89/05/87/822890587.db2.gz GLVLHBJFKAJRSR-CQSZACIVSA-N 0 0 395.430 4.274 20 10 GICDRN Cc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1NC(=O)CN1CCCCC1 ZINC000186427575 822893135 /nfs/dbraw/zinc/89/31/35/822893135.db2.gz NFMBUJQILBSTMY-INIZCTEOSA-N 0 0 385.483 4.437 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186442445 822896294 /nfs/dbraw/zinc/89/62/94/822896294.db2.gz RHTMTGGKDYLMTK-JOCHJYFZSA-N 0 0 378.497 4.427 20 10 GICDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000186492729 822904375 /nfs/dbraw/zinc/90/43/75/822904375.db2.gz HGGBGUYEBQZKCM-JKSUJKDBSA-N 0 0 376.522 4.092 20 10 GICDRN Cc1ccccc1[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)CO1 ZINC000175225819 822908903 /nfs/dbraw/zinc/90/89/03/822908903.db2.gz CYFZZZLYWQPBKN-AUSIDOKSSA-N 0 0 391.515 4.043 20 10 GICDRN CSCc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000175349239 822941716 /nfs/dbraw/zinc/94/17/16/822941716.db2.gz RMEMBKZDACNIDT-GOSISDBHSA-N 0 0 389.492 4.216 20 10 GICDRN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1F ZINC000055181698 822943903 /nfs/dbraw/zinc/94/39/03/822943903.db2.gz NSCBRGQQRWWZPY-QDEBKDIKSA-N 0 0 384.410 4.340 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175398937 822959234 /nfs/dbraw/zinc/95/92/34/822959234.db2.gz QTVFLMYYTOEZEB-VQTJNVASSA-N 0 0 399.560 4.146 20 10 GICDRN CCOc1ccc(Nc2ncccc2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000175505234 822985306 /nfs/dbraw/zinc/98/53/06/822985306.db2.gz WVWRIFPYGPJTLL-UHFFFAOYSA-N 0 0 377.444 4.202 20 10 GICDRN C[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000175505563 822985316 /nfs/dbraw/zinc/98/53/16/822985316.db2.gz WGOKKCXHKFWWPF-JXFKEZNVSA-N 0 0 398.503 4.253 20 10 GICDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1Br ZINC000123893587 823549671 /nfs/dbraw/zinc/54/96/71/823549671.db2.gz MPBIWPIPOLSQGW-UHFFFAOYSA-N 0 0 384.295 4.387 20 10 GICDRN CC(C)N(C)c1ccc(/C=C2/SC(=S)N(Cc3cccs3)C2=O)cn1 ZINC000190397889 823569185 /nfs/dbraw/zinc/56/91/85/823569185.db2.gz ASWXNICEEVXVSX-OQLLNIDSSA-N 0 0 389.571 4.389 20 10 GICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124158822 823573032 /nfs/dbraw/zinc/57/30/32/823573032.db2.gz PFPULGVATQLCTD-ZDUSSCGKSA-N 0 0 395.334 4.397 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C ZINC000190543248 823584853 /nfs/dbraw/zinc/58/48/53/823584853.db2.gz ZNUXEXXKGTVUME-UHFFFAOYSA-N 0 0 395.503 4.285 20 10 GICDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000124600318 823610160 /nfs/dbraw/zinc/61/01/60/823610160.db2.gz WKIMPQCGSXTEIT-UHFFFAOYSA-N 0 0 394.456 4.114 20 10 GICDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1OCC(F)(F)F ZINC000190964890 823631582 /nfs/dbraw/zinc/63/15/82/823631582.db2.gz LWZFYNGWZXXYND-LBPRGKRZSA-N 0 0 398.381 4.100 20 10 GICDRN Cc1noc(C)c1CN(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000063068130 823649796 /nfs/dbraw/zinc/64/97/96/823649796.db2.gz YVKKMCOAOZYROS-UHFFFAOYSA-N 0 0 384.524 4.402 20 10 GICDRN CCOc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000125093174 823651386 /nfs/dbraw/zinc/65/13/86/823651386.db2.gz ITHOSNKUMANPEJ-QGZVFWFLSA-N 0 0 388.439 4.143 20 10 GICDRN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3cn(C)nc3-c3ccncc3)S2)c1 ZINC000063276446 823659179 /nfs/dbraw/zinc/65/91/79/823659179.db2.gz NILZSTFIOGUAFC-WQRHYEAKSA-N 0 0 389.484 4.181 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)c2cc(NC(C)=O)ccc2Cl)cc1F ZINC000125228034 823660583 /nfs/dbraw/zinc/66/05/83/823660583.db2.gz LCQZYIDYDHODPA-UHFFFAOYSA-N 0 0 391.874 4.214 20 10 GICDRN Cc1cccn2cc(COc3ccc(/C=C4\SC(=S)N(C)C4=O)cc3)nc12 ZINC000063342568 823664623 /nfs/dbraw/zinc/66/46/23/823664623.db2.gz RGNILWAFOGPYRN-YVLHZVERSA-N 0 0 395.509 4.053 20 10 GICDRN Cc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125323962 823667872 /nfs/dbraw/zinc/66/78/72/823667872.db2.gz TUYVYIZWTMYMAQ-UHFFFAOYSA-N 0 0 395.503 4.226 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CSCc1cscn1 ZINC000125374718 823671486 /nfs/dbraw/zinc/67/14/86/823671486.db2.gz ZUCACHPXMMIOCM-UHFFFAOYSA-N 0 0 375.563 4.025 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(F)cc1C(F)(F)F ZINC000125471743 823678795 /nfs/dbraw/zinc/67/87/95/823678795.db2.gz SLSLYLCMPPWADK-UHFFFAOYSA-N 0 0 393.384 4.220 20 10 GICDRN COc1cc(N(C)Cc2ccc(-n3nc(C)cc3C)cc2)cc(OC)c1OC ZINC000125678971 823696093 /nfs/dbraw/zinc/69/60/93/823696093.db2.gz ZPRGGYUWANQOOD-UHFFFAOYSA-N 0 0 381.476 4.151 20 10 GICDRN COc1cc(N(C)CC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000125699866 823698058 /nfs/dbraw/zinc/69/80/58/823698058.db2.gz YELFUJQMUVBXNU-UHFFFAOYSA-N 0 0 399.274 4.094 20 10 GICDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191586204 823705029 /nfs/dbraw/zinc/70/50/29/823705029.db2.gz LANLSCAVTHOXIU-UHFFFAOYSA-N 0 0 392.503 4.351 20 10 GICDRN C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125804442 823715295 /nfs/dbraw/zinc/71/52/95/823715295.db2.gz NUVAIRNIOHJERC-BMRADRMJSA-N 0 0 384.907 4.239 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000125810819 823716975 /nfs/dbraw/zinc/71/69/75/823716975.db2.gz NEYJLFDYRIIDBS-UHFFFAOYSA-N 0 0 392.908 4.145 20 10 GICDRN C[C@H]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCS1(=O)=O ZINC000191777476 823764478 /nfs/dbraw/zinc/76/44/78/823764478.db2.gz CZJZKZPKKBMQRY-SKAIHHOBSA-N 0 0 386.477 4.143 20 10 GICDRN Cc1c(NCc2cc(Cl)ccc2O)cccc1C(=O)N1CCSCC1 ZINC000126117875 823792242 /nfs/dbraw/zinc/79/22/42/823792242.db2.gz RMTJTRWXMVZJRK-UHFFFAOYSA-N 0 0 376.909 4.155 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1F ZINC000164308618 823795251 /nfs/dbraw/zinc/79/52/51/823795251.db2.gz CRJBWHUUFIWJBL-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN CC(C)OCc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000064534174 823838927 /nfs/dbraw/zinc/83/89/27/823838927.db2.gz BVCHVXHCIZEXRQ-UHFFFAOYSA-N 0 0 399.560 4.487 20 10 GICDRN Cc1noc(-c2ccccc2)c1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000126346878 823845215 /nfs/dbraw/zinc/84/52/15/823845215.db2.gz WWOTWCDCNVNNHD-UHFFFAOYSA-N 0 0 378.432 4.147 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000126494693 823883557 /nfs/dbraw/zinc/88/35/57/823883557.db2.gz NFXUCTNRZXPMLX-UHFFFAOYSA-N 0 0 392.503 4.226 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170695299 823943158 /nfs/dbraw/zinc/94/31/58/823943158.db2.gz FFJMWEFEFBRHRS-FCHUYYIVSA-N 0 0 381.520 4.204 20 10 GICDRN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1CCc1cccs1 ZINC000170811080 823977678 /nfs/dbraw/zinc/97/76/78/823977678.db2.gz OGARHVMCYVQAJB-IZZDOVSWSA-N 0 0 382.513 4.162 20 10 GICDRN COc1ccc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1F ZINC000170835911 823985393 /nfs/dbraw/zinc/98/53/93/823985393.db2.gz ZWPARCUYIXGRRX-UHFFFAOYSA-N 0 0 399.510 4.209 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000127020730 824001918 /nfs/dbraw/zinc/00/19/18/824001918.db2.gz PMGFTUNLGQFTAA-JOCHJYFZSA-N 0 0 397.563 4.086 20 10 GICDRN Cc1ccc(-c2nnc(Sc3ncc([N+](=O)[O-])s3)n2Cc2ccco2)cc1 ZINC000192494969 824010619 /nfs/dbraw/zinc/01/06/19/824010619.db2.gz WEDFJZXEZFRBQQ-UHFFFAOYSA-N 0 0 399.457 4.411 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000170975003 824025010 /nfs/dbraw/zinc/02/50/10/824025010.db2.gz NLAIHGUGAFGWAF-UHFFFAOYSA-N 0 0 392.543 4.288 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc2ncccc2c1 ZINC000175850204 823055380 /nfs/dbraw/zinc/05/53/80/823055380.db2.gz OISXZHROAGNLLN-UHFFFAOYSA-N 0 0 385.261 4.365 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C)c2Br)c1 ZINC000120854956 823077472 /nfs/dbraw/zinc/07/74/72/823077472.db2.gz WDELXZZSRXNGKO-NSHDSACASA-N 0 0 379.254 4.354 20 10 GICDRN CCN(CC)c1ccc(CN[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000187519773 823079951 /nfs/dbraw/zinc/07/99/51/823079951.db2.gz VGKOYAGHTMZJMO-QFIPXVFZSA-N 0 0 384.474 4.424 20 10 GICDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120912291 823085609 /nfs/dbraw/zinc/08/56/09/823085609.db2.gz BIUPFRNNMHEIDN-UHFFFAOYSA-N 0 0 377.275 4.121 20 10 GICDRN Cc1ccc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1C(N)=O ZINC000175994600 823090897 /nfs/dbraw/zinc/09/08/97/823090897.db2.gz IIVQPTZSXSIOFU-UHFFFAOYSA-N 0 0 381.476 4.166 20 10 GICDRN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(C)n1-c1ccccn1 ZINC000120951456 823091733 /nfs/dbraw/zinc/09/17/33/823091733.db2.gz JELNAMFHRWYWGK-QHCPKHFHSA-N 0 0 382.467 4.404 20 10 GICDRN O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000120957249 823092914 /nfs/dbraw/zinc/09/29/14/823092914.db2.gz LRAFELBVWYUCHR-UHFFFAOYSA-N 0 0 393.314 4.227 20 10 GICDRN CSCCCN1C(=O)/C(=C\c2cc(Br)cs2)SC1=S ZINC000121000525 823100551 /nfs/dbraw/zinc/10/05/51/823100551.db2.gz NQVWRBHFRXUSDP-UXBLZVDNSA-N 0 0 394.406 4.465 20 10 GICDRN COc1ccc(-c2ccc(CNC(=O)NCc3cccc(OC)c3O)cc2)cc1 ZINC000176069144 823112048 /nfs/dbraw/zinc/11/20/48/823112048.db2.gz SNNHJPIUWZYLQH-UHFFFAOYSA-N 0 0 392.455 4.076 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000121099488 823118193 /nfs/dbraw/zinc/11/81/93/823118193.db2.gz JQHDEDQDCWGELE-UHFFFAOYSA-N 0 0 389.293 4.028 20 10 GICDRN CC(=O)N(c1nc(CN(C)c2ccc3c(c2)OCO3)cs1)c1ccccc1 ZINC000121253692 823148386 /nfs/dbraw/zinc/14/83/86/823148386.db2.gz DYXYMQZTVCOYGG-UHFFFAOYSA-N 0 0 381.457 4.193 20 10 GICDRN Cc1coc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc12 ZINC000188019422 823172820 /nfs/dbraw/zinc/17/28/20/823172820.db2.gz ZOOMZXWOJJZMIY-UHFFFAOYSA-N 0 0 383.423 4.039 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000176328727 823183174 /nfs/dbraw/zinc/18/31/74/823183174.db2.gz OJMHUAQJFCRDAV-IBGZPJMESA-N 0 0 392.547 4.447 20 10 GICDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H](C)c1ccccc1 ZINC000176472010 823215338 /nfs/dbraw/zinc/21/53/38/823215338.db2.gz UOEFXRZQPWZMHF-LQWHRVPQSA-N 0 0 382.504 4.275 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000056827690 823219769 /nfs/dbraw/zinc/21/97/69/823219769.db2.gz XIIQQCAOFITULR-GOSISDBHSA-N 0 0 397.519 4.077 20 10 GICDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000188359589 823225598 /nfs/dbraw/zinc/22/55/98/823225598.db2.gz ICYGBOCHEHZHRP-QGZVFWFLSA-N 0 0 393.487 4.172 20 10 GICDRN COc1cccc(CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)c1O ZINC000121685742 823230437 /nfs/dbraw/zinc/23/04/37/823230437.db2.gz XXLPEIFSIFQSLH-LJQANCHMSA-N 0 0 397.862 4.038 20 10 GICDRN COc1cccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1OC ZINC000002368202 817385543 /nfs/dbraw/zinc/38/55/43/817385543.db2.gz JPCKPIYPUSNZLK-GHRIWEEISA-N 0 0 385.510 4.148 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000057225216 823266821 /nfs/dbraw/zinc/26/68/21/823266821.db2.gz COVADAANIZHQNJ-UHFFFAOYSA-N 0 0 384.495 4.037 20 10 GICDRN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000005620819 817601555 /nfs/dbraw/zinc/60/15/55/817601555.db2.gz KIYWMQBYYBDQFX-UHFFFAOYSA-N 0 0 396.394 4.086 20 10 GICDRN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000005643790 817603795 /nfs/dbraw/zinc/60/37/95/817603795.db2.gz IGZCDUSNHHUNCE-KRWDZBQOSA-N 0 0 392.455 4.287 20 10 GICDRN CC(C)C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000121934180 823279762 /nfs/dbraw/zinc/27/97/62/823279762.db2.gz QORHCXSGIUFTTE-LKKYZFDUSA-N 0 0 396.603 4.280 20 10 GICDRN O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1c1cccnc1 ZINC000006366801 817684166 /nfs/dbraw/zinc/68/41/66/817684166.db2.gz YBHLTAILAPOOKL-QPEQYQDCSA-N 0 0 395.278 4.389 20 10 GICDRN COc1ccccc1NC(=S)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006568790 817706315 /nfs/dbraw/zinc/70/63/15/817706315.db2.gz CTTJVIVLDWETPW-LJQANCHMSA-N 0 0 399.560 4.139 20 10 GICDRN COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000006570587 817706335 /nfs/dbraw/zinc/70/63/35/817706335.db2.gz GRRVCHXZSICUOM-XMHGGMMESA-N 0 0 398.553 4.205 20 10 GICDRN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000006864723 817720530 /nfs/dbraw/zinc/72/05/30/817720530.db2.gz GPQFJCUMAAKKPG-UHFFFAOYSA-N 0 0 392.455 4.207 20 10 GICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccnn1C1CCCC1 ZINC000007130670 817768653 /nfs/dbraw/zinc/76/86/53/817768653.db2.gz GGAPLJFCWANEEY-UHFFFAOYSA-N 0 0 381.505 4.130 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)c(-c2ccccn2)c1 ZINC000122002370 823291233 /nfs/dbraw/zinc/29/12/33/823291233.db2.gz KBQGVTHGANURAM-UHFFFAOYSA-N 0 0 389.499 4.486 20 10 GICDRN CCN(CC)c1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000007586211 817874876 /nfs/dbraw/zinc/87/48/76/817874876.db2.gz XDBNALOGROFTAU-DTQAZKPQSA-N 0 0 390.443 4.095 20 10 GICDRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)S2)c(C)c1 ZINC000007587331 817875503 /nfs/dbraw/zinc/87/55/03/817875503.db2.gz HVZKAHQWGKMLEX-XSFVSMFZSA-N 0 0 393.512 4.222 20 10 GICDRN Cc1sc(-c2ccc(N(C)C)cc2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000008042128 817988558 /nfs/dbraw/zinc/98/85/58/817988558.db2.gz VJTAVCGRJVUPDH-UHFFFAOYSA-N 0 0 387.530 4.223 20 10 GICDRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000057543972 823308520 /nfs/dbraw/zinc/30/85/20/823308520.db2.gz SQNPEJUORSFHGJ-UHFFFAOYSA-N 0 0 392.503 4.265 20 10 GICDRN Cc1ccc(OC(F)F)c(/C=C2/SC(=S)N(c3cccnc3)C2=O)c1 ZINC000176902812 823320830 /nfs/dbraw/zinc/32/08/30/823320830.db2.gz KJURXMSMVZVLML-RIYZIHGNSA-N 0 0 378.425 4.397 20 10 GICDRN O=C1/C(=C/c2ccc(OC[C@H]3CCCO3)cc2)SC(=S)N1c1cccnc1 ZINC000014177906 818226466 /nfs/dbraw/zinc/22/64/66/818226466.db2.gz GEMPIDIADVZWJM-LVSMMTLPSA-N 0 0 398.509 4.045 20 10 GICDRN COc1c(Br)c([N+](=O)[O-])c(N2CCCCCCC2)cc1[N+](=O)[O-] ZINC000014207686 818227491 /nfs/dbraw/zinc/22/74/91/818227491.db2.gz MTJPOQXHTDTCMG-UHFFFAOYSA-N 0 0 388.218 4.045 20 10 GICDRN O=C(NCCCSc1nccs1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000188894928 823324353 /nfs/dbraw/zinc/32/43/53/823324353.db2.gz CAJLJWTUVAOBSC-CYBMUJFWSA-N 0 0 389.468 4.271 20 10 GICDRN COc1cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OC ZINC000015137266 818294077 /nfs/dbraw/zinc/29/40/77/818294077.db2.gz MFDDUTXPOYCAJO-UHFFFAOYSA-N 0 0 394.471 4.050 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000188938161 823330940 /nfs/dbraw/zinc/33/09/40/823330940.db2.gz PRNWUDNCZKYYTE-UHFFFAOYSA-N 0 0 398.507 4.157 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000016134959 818396438 /nfs/dbraw/zinc/39/64/38/818396438.db2.gz VJAJHIOJKZREAK-UHFFFAOYSA-N 0 0 384.863 4.195 20 10 GICDRN CCn1c(=S)n(CN(C)Cc2ccc(N3CCCCC3)cc2)nc1C1CC1 ZINC000016878245 818486335 /nfs/dbraw/zinc/48/63/35/818486335.db2.gz NIRWJORVDNPHLR-UHFFFAOYSA-N 0 0 385.581 4.391 20 10 GICDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(Cl)cccc1Cl ZINC000176982888 823342106 /nfs/dbraw/zinc/34/21/06/823342106.db2.gz XJCUMVZADRPGIO-UHFFFAOYSA-N 0 0 397.277 4.024 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000018150685 818551093 /nfs/dbraw/zinc/55/10/93/818551093.db2.gz VICFTRBTQLLADS-UHFFFAOYSA-N 0 0 398.894 4.047 20 10 GICDRN O=C(CCCc1ccc(F)c(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000122559824 823372783 /nfs/dbraw/zinc/37/27/83/823372783.db2.gz PIZIGRXNZWKYLD-UHFFFAOYSA-N 0 0 390.499 4.157 20 10 GICDRN CCn1c(-c2ccc(Br)cc2)cnc1SCc1nc(C)no1 ZINC000023382788 818930315 /nfs/dbraw/zinc/93/03/15/818930315.db2.gz YATSZUANMTZCPT-UHFFFAOYSA-N 0 0 379.283 4.316 20 10 GICDRN CCNC(=O)c1cccc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 ZINC000058308739 823377331 /nfs/dbraw/zinc/37/73/31/823377331.db2.gz FCOBFLKOYDEFCC-UHFFFAOYSA-N 0 0 389.499 4.082 20 10 GICDRN COc1ccccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446121 823418503 /nfs/dbraw/zinc/41/85/03/823418503.db2.gz CFPNQYAWIRYPOL-INIZCTEOSA-N 0 0 389.455 4.010 20 10 GICDRN COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)cc1 ZINC000189449381 823419416 /nfs/dbraw/zinc/41/94/16/823419416.db2.gz GIGCYXOTZIDWLQ-MRXNPFEDSA-N 0 0 389.455 4.010 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c1F ZINC000189449849 823419785 /nfs/dbraw/zinc/41/97/85/823419785.db2.gz ZYEOMEQLFQDUDL-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN CNC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000024920882 819895165 /nfs/dbraw/zinc/89/51/65/819895165.db2.gz FZRXKPPCLZDJPC-UHFFFAOYSA-N 0 0 375.472 4.323 20 10 GICDRN CC1(C)CN(C(=O)NCCCSc2nccs2)CC[C@H]1C(F)(F)F ZINC000189558731 823444040 /nfs/dbraw/zinc/44/40/40/823444040.db2.gz DMWDRUNDXKGIFD-LLVKDONJSA-N 0 0 381.489 4.245 20 10 GICDRN O=C1/C(=C\c2cnn(Cc3ccccc3)c2)SC(=S)N1c1ccc(F)cc1 ZINC000027121819 820195800 /nfs/dbraw/zinc/19/58/00/820195800.db2.gz FPDCOLKRLIMPTA-VCHYOVAHSA-N 0 0 395.484 4.476 20 10 GICDRN Cc1cc2occ(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2cc1C ZINC000027156113 820202066 /nfs/dbraw/zinc/20/20/66/820202066.db2.gz OWCRJMVTYNPEMI-UHFFFAOYSA-N 0 0 392.499 4.087 20 10 GICDRN Cc1cc(CSc2ncccc2C(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000027380171 820235469 /nfs/dbraw/zinc/23/54/69/820235469.db2.gz UUKNLFWGDVTTRD-UHFFFAOYSA-N 0 0 396.516 4.009 20 10 GICDRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)Cc1ccccc1O ZINC000123139965 823468998 /nfs/dbraw/zinc/46/89/98/823468998.db2.gz BTOACBJCEYICMI-GFCCVEGCSA-N 0 0 395.272 4.066 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000028669518 820348534 /nfs/dbraw/zinc/34/85/34/820348534.db2.gz PQWTVTQTAFKTEL-UHFFFAOYSA-N 0 0 388.471 4.327 20 10 GICDRN Cc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c(C)n1-c1ccccn1 ZINC000123239048 823483565 /nfs/dbraw/zinc/48/35/65/823483565.db2.gz XDNAJTAGLANDJK-IEBWSBKVSA-N 0 0 395.528 4.279 20 10 GICDRN CCn1c2ccccc2c2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)ccc21 ZINC000059183849 823486534 /nfs/dbraw/zinc/48/65/34/823486534.db2.gz JOSAMXACHMXXRZ-HMMYKYKNSA-N 0 0 381.435 4.276 20 10 GICDRN Cc1cc(CCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000177571919 823493683 /nfs/dbraw/zinc/49/36/83/823493683.db2.gz UXKJZRJXMJNPSM-UHFFFAOYSA-N 0 0 386.561 4.183 20 10 GICDRN Cc1ccc(-n2ncc(C(=O)NCc3ccc(N(C)C)cc3)c2C(C)C)cc1 ZINC000032246893 820904996 /nfs/dbraw/zinc/90/49/96/820904996.db2.gz AICXZCLOGNMQTK-UHFFFAOYSA-N 0 0 376.504 4.300 20 10 GICDRN CCOc1cc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O ZINC000035040805 821063971 /nfs/dbraw/zinc/06/39/71/821063971.db2.gz SRHIXJHNHXVCBI-WOJGMQOQSA-N 0 0 399.493 4.399 20 10 GICDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000038642862 821098312 /nfs/dbraw/zinc/09/83/12/821098312.db2.gz GORMTGLVXCIRAB-NRFANRHFSA-N 0 0 386.923 4.156 20 10 GICDRN Cc1ccccc1-n1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C(C)C ZINC000190104073 823537654 /nfs/dbraw/zinc/53/76/54/823537654.db2.gz CEFZAESVHYNAMK-MRXNPFEDSA-N 0 0 393.487 4.076 20 10 GICDRN COc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000042329710 821300919 /nfs/dbraw/zinc/30/09/19/821300919.db2.gz DDZDYVHFQCVGGQ-QGZVFWFLSA-N 0 0 399.535 4.451 20 10 GICDRN CC(C)[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 ZINC000043106431 821361828 /nfs/dbraw/zinc/36/18/28/821361828.db2.gz IETBCDAYDBFSQJ-FQEVSTJZSA-N 0 0 379.508 4.168 20 10 GICDRN CCCc1noc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 ZINC000043896335 821484988 /nfs/dbraw/zinc/48/49/88/821484988.db2.gz KECHAXIKCOHPCS-MRXNPFEDSA-N 0 0 384.505 4.357 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000180934632 821545837 /nfs/dbraw/zinc/54/58/37/821545837.db2.gz FRJOUFKLBXHUMI-QHHAFSJGSA-N 0 0 378.403 4.047 20 10 GICDRN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180937342 821547163 /nfs/dbraw/zinc/54/71/63/821547163.db2.gz CNQOSKCOGCXZSL-FMIVXFBMSA-N 0 0 388.423 4.310 20 10 GICDRN CCCN(CCC)C(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180944502 821550622 /nfs/dbraw/zinc/55/06/22/821550622.db2.gz ILNRZEPHKFKUPU-WUXMJOGZSA-N 0 0 382.460 4.012 20 10 GICDRN Cc1cccc(CNc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c1O ZINC000181066571 821616231 /nfs/dbraw/zinc/61/62/31/821616231.db2.gz LLSJXAXVQVPHAE-UHFFFAOYSA-N 0 0 381.497 4.428 20 10 GICDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000181419562 821816941 /nfs/dbraw/zinc/81/69/41/821816941.db2.gz JNJNFLYNDUTUQP-CYBMUJFWSA-N 0 0 386.879 4.226 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000181585456 821890558 /nfs/dbraw/zinc/89/05/58/821890558.db2.gz XZSRWHWBPKLNPW-INIZCTEOSA-N 0 0 399.450 4.032 20 10 GICDRN CC(=O)Nc1nc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cs1 ZINC000181585722 821890724 /nfs/dbraw/zinc/89/07/24/821890724.db2.gz AEHQYQRRCZLPGG-CQSZACIVSA-N 0 0 395.484 4.211 20 10 GICDRN c1ccc2c(c1)C[C@H](c1nnc(NCc3ccc(N4CCCCC4)cc3)o1)O2 ZINC000181749605 821975491 /nfs/dbraw/zinc/97/54/91/821975491.db2.gz QYLFGUGPIOSKMF-HXUWFJFHSA-N 0 0 376.460 4.348 20 10 GICDRN Cc1cc(C(=O)Nc2nc(-c3cccs3)ns2)c(C)n1-c1ccccn1 ZINC000182142864 822114828 /nfs/dbraw/zinc/11/48/28/822114828.db2.gz LMJBXIIRGBRMDM-UHFFFAOYSA-N 0 0 381.486 4.321 20 10 GICDRN COCCOc1cc(C)ccc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000182602054 822319238 /nfs/dbraw/zinc/31/92/38/822319238.db2.gz SFRGWAONJBMMCF-QGZVFWFLSA-N 0 0 388.483 4.169 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000182622312 822326935 /nfs/dbraw/zinc/32/69/35/822326935.db2.gz WWLPEHMOBNFRML-UHFFFAOYSA-N 0 0 394.500 4.217 20 10 GICDRN O=C1/C(=C/c2csc(Br)c2)SC(=S)N1c1cccnc1 ZINC000045110733 822363251 /nfs/dbraw/zinc/36/32/51/822363251.db2.gz WBEVBVXXSGWXNN-WMZJFQQLSA-N 0 0 383.317 4.311 20 10 GICDRN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000182955690 822399574 /nfs/dbraw/zinc/39/95/74/822399574.db2.gz WASSEMDFRKIVNV-UHFFFAOYSA-N 0 0 396.491 4.168 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccccc1N1CCCCC1 ZINC000183049497 822417467 /nfs/dbraw/zinc/41/74/67/822417467.db2.gz CXQZTPMACZNAQB-UHFFFAOYSA-N 0 0 390.531 4.053 20 10 GICDRN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179326834 822466562 /nfs/dbraw/zinc/46/65/62/822466562.db2.gz ZCVWDROHOLBMQX-UHFFFAOYSA-N 0 0 375.875 4.421 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000183453112 822477182 /nfs/dbraw/zinc/47/71/82/822477182.db2.gz RWHLRKJGXPPRMB-GFCCVEGCSA-N 0 0 380.419 4.024 20 10 GICDRN Cc1cc(CSc2ccccc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)on1 ZINC000183465154 822478960 /nfs/dbraw/zinc/47/89/60/822478960.db2.gz UPNCMXKWSXGCJZ-CYBMUJFWSA-N 0 0 398.484 4.048 20 10 GICDRN Cc1cc(CSc2ccccc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)on1 ZINC000183465131 822478978 /nfs/dbraw/zinc/47/89/78/822478978.db2.gz UPNCMXKWSXGCJZ-ZDUSSCGKSA-N 0 0 398.484 4.048 20 10 GICDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(COc2ccccc2)cc1 ZINC000179487078 822490016 /nfs/dbraw/zinc/49/00/16/822490016.db2.gz LVGHMXUYUAFDFX-UHFFFAOYSA-N 0 0 378.428 4.041 20 10 GICDRN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC000179579446 822506412 /nfs/dbraw/zinc/50/64/12/822506412.db2.gz XAIZSTUGLFRWAX-QHCPKHFHSA-N 0 0 393.531 4.051 20 10 GICDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000183716056 822515810 /nfs/dbraw/zinc/51/58/10/822515810.db2.gz OMRTWNNMLKVAQN-UHFFFAOYSA-N 0 0 376.460 4.087 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000183871131 822538654 /nfs/dbraw/zinc/53/86/54/822538654.db2.gz UILZYTYQDRMDJK-INIZCTEOSA-N 0 0 385.556 4.353 20 10 GICDRN COc1cc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)ccc1OCC(C)C ZINC000047049036 822540181 /nfs/dbraw/zinc/54/01/81/822540181.db2.gz USMYBJGVAOUEAX-MRXNPFEDSA-N 0 0 386.492 4.338 20 10 GICDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179778824 822551063 /nfs/dbraw/zinc/55/10/63/822551063.db2.gz IAJISVXFTZXVDB-GFCCVEGCSA-N 0 0 377.275 4.121 20 10 GICDRN C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179854810 822566822 /nfs/dbraw/zinc/56/68/22/822566822.db2.gz NXSJLZFBXGVFHL-QGZVFWFLSA-N 0 0 397.494 4.352 20 10 GICDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(Cl)c1F ZINC000047362372 822570743 /nfs/dbraw/zinc/57/07/43/822570743.db2.gz RNCBAHNWVLCAQW-UHFFFAOYSA-N 0 0 391.874 4.010 20 10 GICDRN C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000179948181 822583481 /nfs/dbraw/zinc/58/34/81/822583481.db2.gz ZABMAHDPFXTBMQ-ROUUACIJSA-N 0 0 399.510 4.061 20 10 GICDRN COCCOc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000047738812 822605366 /nfs/dbraw/zinc/60/53/66/822605366.db2.gz IRKRVKMHYKJKQG-UHFFFAOYSA-N 0 0 397.519 4.366 20 10 GICDRN Cc1cccnc1/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000184698642 822678445 /nfs/dbraw/zinc/67/84/45/822678445.db2.gz YVYDGRXSJQGMCS-ZHACJKMWSA-N 0 0 377.410 4.060 20 10 GICDRN O[C@@H](C[C@@H]1COCCN1Cc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000180542611 822699167 /nfs/dbraw/zinc/69/91/67/822699167.db2.gz KNTCXNVTZMQCJT-RTWAWAEBSA-N 0 0 386.561 4.063 20 10 GICDRN O=C1/C(=C/c2c(C3CC3)nc3sccn23)SC(=S)N1c1cccnc1 ZINC000180561413 822702758 /nfs/dbraw/zinc/70/27/58/822702758.db2.gz PMQZGBRPJGILSS-JYRVWZFOSA-N 0 0 384.511 4.074 20 10 GICDRN CCCC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000050497763 822732006 /nfs/dbraw/zinc/73/20/06/822732006.db2.gz MGRCNLFKXWFTKE-OWBHPGMISA-N 0 0 396.603 4.424 20 10 GICDRN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000174291988 822764569 /nfs/dbraw/zinc/76/45/69/822764569.db2.gz DQGVGNQGVHTNMZ-GMAHTHKFSA-N 0 0 395.547 4.370 20 10 GICDRN CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000185423144 822781755 /nfs/dbraw/zinc/78/17/55/822781755.db2.gz NUJXIUPHPZFXEB-AWEZNQCLSA-N 0 0 377.529 4.113 20 10 GICDRN C[C@@H](O)c1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 ZINC000174508561 822798721 /nfs/dbraw/zinc/79/87/21/822798721.db2.gz FAKWPDSEMPFRKG-QGZVFWFLSA-N 0 0 382.504 4.490 20 10 GICDRN O=C(CCCc1nc(-c2cccs2)no1)NCc1c(O)ccc2c1CCCC2 ZINC000174517818 822799963 /nfs/dbraw/zinc/79/99/63/822799963.db2.gz PYCZDZAUYRFOAA-UHFFFAOYSA-N 0 0 397.500 4.022 20 10 GICDRN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185650233 822806761 /nfs/dbraw/zinc/80/67/61/822806761.db2.gz CZYBVVMUMXTVNM-LLVKDONJSA-N 0 0 388.316 4.094 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC000174606891 822811663 /nfs/dbraw/zinc/81/16/63/822811663.db2.gz MMLSHVFIKSIKEO-HTAPYJJXSA-N 0 0 379.504 4.067 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000053485645 822837530 /nfs/dbraw/zinc/83/75/30/822837530.db2.gz MBNIBEWLZYVCKN-UHFFFAOYSA-N 0 0 398.934 4.305 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nc(C(C)(C)C)no1 ZINC000174801812 822839233 /nfs/dbraw/zinc/83/92/33/822839233.db2.gz QPAWEZBVVCLQRZ-INIZCTEOSA-N 0 0 399.539 4.164 20 10 GICDRN CCOc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OCC ZINC000054063470 822860823 /nfs/dbraw/zinc/86/08/23/822860823.db2.gz DNORXLMKJYTWDJ-QGZVFWFLSA-N 0 0 399.535 4.453 20 10 GICDRN C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc2ccccc2c1O ZINC000186249746 822864965 /nfs/dbraw/zinc/86/49/65/822864965.db2.gz NOKNRURUPPTCPP-OAHLLOKOSA-N 0 0 382.485 4.258 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2ccccc2cc1OC(F)F ZINC000186390182 822886603 /nfs/dbraw/zinc/88/66/03/822886603.db2.gz DETQDCPUMYNJBN-GFCCVEGCSA-N 0 0 387.382 4.213 20 10 GICDRN O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000054499774 822891100 /nfs/dbraw/zinc/89/11/00/822891100.db2.gz NLADKFXLDUOKDK-MDWZMJQESA-N 0 0 382.388 4.386 20 10 GICDRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1NC(=O)CN1CCCCC1 ZINC000186427727 822893394 /nfs/dbraw/zinc/89/33/94/822893394.db2.gz HGORCMSRAFQRKX-INIZCTEOSA-N 0 0 385.483 4.437 20 10 GICDRN C[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000054549216 822894868 /nfs/dbraw/zinc/89/48/68/822894868.db2.gz XZTMZGFOLMCGJQ-HKUYNNGSSA-N 0 0 399.560 4.222 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@H](C)c2cc(C)ccc2O)c1 ZINC000186492485 822904450 /nfs/dbraw/zinc/90/44/50/822904450.db2.gz ZVGATXSBNSMYRW-HZPDHXFCSA-N 0 0 376.522 4.092 20 10 GICDRN CC(=O)N(C)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000175223013 822908229 /nfs/dbraw/zinc/90/82/29/822908229.db2.gz GJIYEKQDNDCPMX-UHFFFAOYSA-N 0 0 379.435 4.468 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nc(C2CCCCC2)no1 ZINC000175227644 822909103 /nfs/dbraw/zinc/90/91/03/822909103.db2.gz RRDORVWNNIWLSI-INIZCTEOSA-N 0 0 395.507 4.054 20 10 GICDRN Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786877 822913493 /nfs/dbraw/zinc/91/34/93/822913493.db2.gz XKHAOMFRAIERET-KRWDZBQOSA-N 0 0 393.487 4.138 20 10 GICDRN CNC(=O)Cc1nc(-c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cs1 ZINC000175503475 822985093 /nfs/dbraw/zinc/98/50/93/822985093.db2.gz YEPNPRKHBIGVHT-UHFFFAOYSA-N 0 0 377.872 4.299 20 10 GICDRN CNC(=O)CC1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000175623603 823008543 /nfs/dbraw/zinc/00/85/43/823008543.db2.gz MTCYIZMRCZSZNY-OCOZRVBESA-N 0 0 379.464 4.482 20 10 GICDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000175639704 823011257 /nfs/dbraw/zinc/01/12/57/823011257.db2.gz VNMSVVIROAILKE-GOSISDBHSA-N 0 0 389.503 4.033 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000187235271 823028782 /nfs/dbraw/zinc/02/87/82/823028782.db2.gz SDCDLAGYKWGPOU-BLLLJJGKSA-N 0 0 382.382 4.107 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c2C)cc1 ZINC000123817341 823543045 /nfs/dbraw/zinc/54/30/45/823543045.db2.gz URWGTZKXDHBRCR-ZHRRBRCNSA-N 0 0 392.503 4.023 20 10 GICDRN CC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1c(C)noc1C ZINC000123846245 823545254 /nfs/dbraw/zinc/54/52/54/823545254.db2.gz ZEMLUOSVNNZXGR-SFHVURJKSA-N 0 0 383.448 4.453 20 10 GICDRN CSc1cccc(-n2c(C)cc(C(=O)CSc3cccc[n+]3[O-])c2C)c1 ZINC000060758609 823555774 /nfs/dbraw/zinc/55/57/74/823555774.db2.gz VRUMPGLSAVIXLN-UHFFFAOYSA-N 0 0 384.526 4.424 20 10 GICDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2ccccc2c1 ZINC000123991272 823558186 /nfs/dbraw/zinc/55/81/86/823558186.db2.gz ROZSRFWBUJIMPF-UHFFFAOYSA-N 0 0 379.435 4.137 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(Cc2ccccc2F)CC1 ZINC000190733082 823603135 /nfs/dbraw/zinc/60/31/35/823603135.db2.gz NGHCZFRSYIDSII-UHFFFAOYSA-N 0 0 384.520 4.018 20 10 GICDRN Cc1nnc(-c2ccccc2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000124612641 823611105 /nfs/dbraw/zinc/61/11/05/823611105.db2.gz DADXCVAVZYDCRT-UHFFFAOYSA-N 0 0 390.487 4.308 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000124722775 823620903 /nfs/dbraw/zinc/62/09/03/823620903.db2.gz HNOGYFJPSUOVPG-UHFFFAOYSA-N 0 0 375.394 4.081 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124868591 823632485 /nfs/dbraw/zinc/63/24/85/823632485.db2.gz BFTCNPXQELOFPH-UHFFFAOYSA-N 0 0 382.338 4.372 20 10 GICDRN Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2)n1 ZINC000190977681 823633522 /nfs/dbraw/zinc/63/35/22/823633522.db2.gz LDPQXIBQPJBDRT-ZDUSSCGKSA-N 0 0 381.432 4.122 20 10 GICDRN O=C1O[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CC12CCC2 ZINC000190989040 823635447 /nfs/dbraw/zinc/63/54/47/823635447.db2.gz PTBNWVYPJJTUFG-ROUUACIJSA-N 0 0 398.528 4.307 20 10 GICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CCC(F)(F)CC2)cc1 ZINC000125009843 823644786 /nfs/dbraw/zinc/64/47/86/823644786.db2.gz JBJUSCIGDYSCFH-UHFFFAOYSA-N 0 0 378.385 4.469 20 10 GICDRN CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000191117690 823650934 /nfs/dbraw/zinc/65/09/34/823650934.db2.gz FFSYZLDONCXDOZ-KRWDZBQOSA-N 0 0 383.458 4.407 20 10 GICDRN CCOc1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=S)s1 ZINC000063123766 823652000 /nfs/dbraw/zinc/65/20/00/823652000.db2.gz ZLVULKQJTKJLGU-UHFFFAOYSA-N 0 0 378.567 4.153 20 10 GICDRN C[C@H](OCCCNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000125109718 823652391 /nfs/dbraw/zinc/65/23/91/823652391.db2.gz GEOPCPXNXPQIDJ-IBGZPJMESA-N 0 0 379.504 4.030 20 10 GICDRN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c1[O-] ZINC000191282626 823667060 /nfs/dbraw/zinc/66/70/60/823667060.db2.gz XCAJPVQOGHFAPG-UHFFFAOYSA-N 0 0 388.467 4.103 20 10 GICDRN COc1cc(N(C)Cc2nnc(-c3cccc(Cl)c3)o2)cc(OC)c1OC ZINC000125706479 823698669 /nfs/dbraw/zinc/69/86/69/823698669.db2.gz NIXXZNYFYHVNCV-UHFFFAOYSA-N 0 0 389.839 4.052 20 10 GICDRN O=C(NCc1ccc(C2CC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000191584530 823704487 /nfs/dbraw/zinc/70/44/87/823704487.db2.gz RHNKAJOIIGTEMW-NRFANRHFSA-N 0 0 380.488 4.160 20 10 GICDRN COc1cc(C)cc(CN2CCO[C@H](c3ccccc3Br)C2)c1O ZINC000164257144 823790427 /nfs/dbraw/zinc/79/04/27/823790427.db2.gz SPKNHPLBFWHLFW-SFHVURJKSA-N 0 0 392.293 4.045 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c(F)c1 ZINC000164306874 823794983 /nfs/dbraw/zinc/79/49/83/823794983.db2.gz FHOJVEYFQJFYAX-UHFFFAOYSA-N 0 0 384.451 4.140 20 10 GICDRN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000165471992 823850318 /nfs/dbraw/zinc/85/03/18/823850318.db2.gz YEMQZITTWIUJBJ-QGZVFWFLSA-N 0 0 377.488 4.112 20 10 GICDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1scnc1C1CC1 ZINC000126578501 823903934 /nfs/dbraw/zinc/90/39/34/823903934.db2.gz JEQOAGRCOZNOEQ-ZDUSSCGKSA-N 0 0 393.459 4.021 20 10 GICDRN C[C@H]1CCCC[C@H]1OCCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000064955538 823918088 /nfs/dbraw/zinc/91/80/88/823918088.db2.gz UPUVEFNYOHYXIT-LAUBAEHRSA-N 0 0 386.492 4.292 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000170698518 823944590 /nfs/dbraw/zinc/94/45/90/823944590.db2.gz BZHZFOKYXJNHFF-JOCHJYFZSA-N 0 0 397.494 4.350 20 10 GICDRN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)nc3)C2=O)cc1F ZINC000170738363 823958136 /nfs/dbraw/zinc/95/81/36/823958136.db2.gz DXYPNCOMPVXCOK-NTUHNPAUSA-N 0 0 380.853 4.289 20 10 GICDRN Cc1ccc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc2n1 ZINC000127052268 824007808 /nfs/dbraw/zinc/00/78/08/824007808.db2.gz KHWBTCZNBNDWMZ-HXUWFJFHSA-N 0 0 376.456 4.070 20 10 GICDRN CN(Cc1ccc(F)cc1Cl)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170964706 824021087 /nfs/dbraw/zinc/02/10/87/824021087.db2.gz HERIPYHASUJZAV-UHFFFAOYSA-N 0 0 375.875 4.421 20 10 GICDRN CCCNc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000192576569 824036669 /nfs/dbraw/zinc/03/66/69/824036669.db2.gz OLCVCNONKUFACJ-OAQYLSRUSA-N 0 0 397.519 4.105 20 10 GICDRN COc1ccc([C@H](C)NC(=O)N(C)C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000359941368 212126201 /nfs/dbraw/zinc/12/62/01/212126201.db2.gz LNIGEURFLGXTKE-KRWDZBQOSA-N 0 0 397.519 4.075 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c[nH]c2ccccc12 ZINC000175843107 823052768 /nfs/dbraw/zinc/05/27/68/823052768.db2.gz SHNCWNLDHNVOAA-UHFFFAOYSA-N 0 0 387.277 4.227 20 10 GICDRN C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)c1ccncc1 ZINC000120742947 823055799 /nfs/dbraw/zinc/05/57/99/823055799.db2.gz HOEIYNIPOPPFTJ-OAHLLOKOSA-N 0 0 379.426 4.232 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000175906090 823068944 /nfs/dbraw/zinc/06/89/44/823068944.db2.gz IMGDVXGEKUDASK-CVDCTZTESA-N 0 0 394.515 4.238 20 10 GICDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000056143726 823087486 /nfs/dbraw/zinc/08/74/86/823087486.db2.gz IAEBDOHUGDLMMP-UHFFFAOYSA-N 0 0 399.560 4.020 20 10 GICDRN CCc1nnc(-c2ccc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2)o1 ZINC000176008278 823094731 /nfs/dbraw/zinc/09/47/31/823094731.db2.gz NEIVTDYIUQMRAJ-UHFFFAOYSA-N 0 0 392.459 4.205 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000176053161 823107621 /nfs/dbraw/zinc/10/76/21/823107621.db2.gz DNKWOQGLVWIPEM-ZDUSSCGKSA-N 0 0 378.925 4.299 20 10 GICDRN COc1ccc(NCc2ccccc2O)cc1OCc1cn2ccccc2n1 ZINC000121043829 823107984 /nfs/dbraw/zinc/10/79/84/823107984.db2.gz BAVPFJLPAOLACZ-UHFFFAOYSA-N 0 0 375.428 4.240 20 10 GICDRN COc1cccc(-c2nc(CN(C)c3ccc4c(c3)OCO4)cs2)c1OC ZINC000121304741 823159536 /nfs/dbraw/zinc/15/95/36/823159536.db2.gz ZMKQMFYRFONZDL-UHFFFAOYSA-N 0 0 384.457 4.192 20 10 GICDRN COc1ccc(N(C)CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1F ZINC000121741509 823240938 /nfs/dbraw/zinc/24/09/38/823240938.db2.gz WMKWNLXUDNTYLK-UHFFFAOYSA-N 0 0 393.462 4.068 20 10 GICDRN CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 ZINC000001149590 817374744 /nfs/dbraw/zinc/37/47/44/817374744.db2.gz CEZHJKWSJOHWPI-ATVHPVEESA-N 0 0 399.493 4.278 20 10 GICDRN CN(Cc1ccccc1O)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000057174233 823259291 /nfs/dbraw/zinc/25/92/91/823259291.db2.gz AVQUWIDCHQJNER-UHFFFAOYSA-N 0 0 376.243 4.157 20 10 GICDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000176683177 823266709 /nfs/dbraw/zinc/26/67/09/823266709.db2.gz CRZJSPNEBYNFGQ-GFCCVEGCSA-N 0 0 394.431 4.211 20 10 GICDRN COc1ccc(N(C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1Cl ZINC000121893004 823271578 /nfs/dbraw/zinc/27/15/78/823271578.db2.gz RPRUJCMQVGAOBP-UHFFFAOYSA-N 0 0 387.892 4.207 20 10 GICDRN COc1cccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000006714192 817716954 /nfs/dbraw/zinc/71/69/54/817716954.db2.gz NPJSLILCRBTWNT-OAQYLSRUSA-N 0 0 399.560 4.139 20 10 GICDRN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1OC(F)F ZINC000007209266 817794428 /nfs/dbraw/zinc/79/44/28/817794428.db2.gz IMWIPFPBWYJIRP-GDNBJRDFSA-N 0 0 382.432 4.189 20 10 GICDRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000007209118 817794452 /nfs/dbraw/zinc/79/44/52/817794452.db2.gz WXNQBTCMKPRXIY-LDADJPATSA-N 0 0 397.525 4.117 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000122023201 823294795 /nfs/dbraw/zinc/29/47/95/823294795.db2.gz XYPQWYPJZTYLGM-MRXNPFEDSA-N 0 0 383.492 4.192 20 10 GICDRN COc1cc(OC)c(OC)cc1C=C1SC(Nc2ccccc2C)=NC1=O ZINC000007587352 817875308 /nfs/dbraw/zinc/87/53/08/817875308.db2.gz DVRQCNARWSLBEC-ZDLGFXPLSA-N 0 0 384.457 4.103 20 10 GICDRN Cc1nc(CC(C)C)oc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000188768257 823300820 /nfs/dbraw/zinc/30/08/20/823300820.db2.gz UJGIGJZXPHQGMM-UHFFFAOYSA-N 0 0 397.441 4.452 20 10 GICDRN O=C(Nc1cccc(C=C2SC(NC3CCCCC3)=NC2=O)c1)C(F)(F)F ZINC000011330473 818073045 /nfs/dbraw/zinc/07/30/45/818073045.db2.gz OVDNWXOIRFYDJB-UVTDQMKNSA-N 0 0 397.422 4.080 20 10 GICDRN CCC(C)(C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000011644473 818103501 /nfs/dbraw/zinc/10/35/01/818103501.db2.gz CAEDSHDTTHEMSB-KRWDZBQOSA-N 0 0 387.549 4.126 20 10 GICDRN Oc1cc(OCc2ccccc2)ccc1CNc1ccc(OC2COC2)cc1 ZINC000188851411 823317078 /nfs/dbraw/zinc/31/70/78/823317078.db2.gz FRGKOGLDAJCFPM-UHFFFAOYSA-N 0 0 377.440 4.361 20 10 GICDRN COc1c(Br)c([N+](=O)[O-])c(N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000014203149 818227359 /nfs/dbraw/zinc/22/73/59/818227359.db2.gz YZNXCFWKIVTAIP-UHFFFAOYSA-N 0 0 388.218 4.043 20 10 GICDRN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000014793174 818266920 /nfs/dbraw/zinc/26/69/20/818266920.db2.gz ZEXJPZGDBWNONF-UHFFFAOYSA-N 0 0 377.444 4.313 20 10 GICDRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188909565 823326615 /nfs/dbraw/zinc/32/66/15/823326615.db2.gz RXWCTQBYBJTTFO-UHFFFAOYSA-N 0 0 397.862 4.409 20 10 GICDRN CN(C)c1ccc(CNC(=O)CCCc2ccc(Br)s2)cc1 ZINC000015832722 818374629 /nfs/dbraw/zinc/37/46/29/818374629.db2.gz BQEHYQOKDAQBJT-UHFFFAOYSA-N 0 0 381.339 4.216 20 10 GICDRN CN(C)c1ccc(CN(C)C(=S)Nc2cccc(Br)c2)cc1 ZINC000016944343 818490115 /nfs/dbraw/zinc/49/01/15/818490115.db2.gz YSJVUDPPSHGAPK-UHFFFAOYSA-N 0 0 378.339 4.344 20 10 GICDRN Cc1csc(-c2cccc(C(=O)NCCCSc3nccs3)c2)n1 ZINC000122353296 823342755 /nfs/dbraw/zinc/34/27/55/823342755.db2.gz RJNXJFKTVIZMTB-UHFFFAOYSA-N 0 0 375.544 4.487 20 10 GICDRN Oc1ccccc1CN(Cc1ccco1)Cc1nc(-c2ccccc2F)no1 ZINC000189106195 823358452 /nfs/dbraw/zinc/35/84/52/823358452.db2.gz ITHSFHBKLMHRAP-UHFFFAOYSA-N 0 0 379.391 4.377 20 10 GICDRN Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccccn1 ZINC000023193157 818906808 /nfs/dbraw/zinc/90/68/08/818906808.db2.gz ZLHHBVKYPMUIKU-UHFFFAOYSA-N 0 0 388.515 4.068 20 10 GICDRN Cc1ccc(NCc2ccc(N3CCCCC3)cc2)c(OCC(=O)N(C)C)c1 ZINC000122600441 823379555 /nfs/dbraw/zinc/37/95/55/823379555.db2.gz PCJIVMGIXGHFCQ-UHFFFAOYSA-N 0 0 381.520 4.064 20 10 GICDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3c(c(OC)c2)O[C@H](C)C3)cc1 ZINC000024187683 819031002 /nfs/dbraw/zinc/03/10/02/819031002.db2.gz UCLBHYMLFARBIE-MRXNPFEDSA-N 0 0 382.504 4.137 20 10 GICDRN CCc1noc(-c2ccc(C)c(NC(=O)NCc3ccc(N(C)C)c(F)c3)c2)n1 ZINC000177157728 823386390 /nfs/dbraw/zinc/38/63/90/823386390.db2.gz VUFLKWNOTDWEAV-UHFFFAOYSA-N 0 0 397.454 4.134 20 10 GICDRN O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(N2CCSCC2)cc1 ZINC000058448840 823392903 /nfs/dbraw/zinc/39/29/03/823392903.db2.gz AYCJAIYRHINOAF-FMIVXFBMSA-N 0 0 389.524 4.118 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1cccc(F)c1)C1CC1 ZINC000122691235 823395612 /nfs/dbraw/zinc/39/56/12/823395612.db2.gz ZVIBQCGBKSHKCB-UHFFFAOYSA-N 0 0 399.535 4.253 20 10 GICDRN CN(C)c1ccc(CNC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1F ZINC000058616323 823417465 /nfs/dbraw/zinc/41/74/65/823417465.db2.gz MZESRLHYKFDQFS-UHFFFAOYSA-N 0 0 393.846 4.028 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)cc1)c1ccc(N)cc1 ZINC000189449238 823419404 /nfs/dbraw/zinc/41/94/04/823419404.db2.gz VOWGDSSXOHEBPS-OAHLLOKOSA-N 0 0 377.419 4.141 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(C)n1 ZINC000189448558 823419434 /nfs/dbraw/zinc/41/94/34/823419434.db2.gz HTQVXZOUMSNUPU-QGZVFWFLSA-N 0 0 388.471 4.014 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)c(F)c1 ZINC000189447096 823418733 /nfs/dbraw/zinc/41/87/33/823418733.db2.gz BLEOWXBOLNYMGF-INIZCTEOSA-N 0 0 391.446 4.449 20 10 GICDRN CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058633949 823420548 /nfs/dbraw/zinc/42/05/48/823420548.db2.gz DVUJPGBSSMKDQV-UHFFFAOYSA-N 0 0 386.883 4.003 20 10 GICDRN CC(C)(C)Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000177305028 823427722 /nfs/dbraw/zinc/42/77/22/823427722.db2.gz HTVFHAUBADKSJN-UHFFFAOYSA-N 0 0 396.531 4.003 20 10 GICDRN CN(C)c1ccc(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 ZINC000026081638 820055956 /nfs/dbraw/zinc/05/59/56/820055956.db2.gz GFFNAJMZITWPRE-UHFFFAOYSA-N 0 0 393.512 4.021 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000027223489 820211902 /nfs/dbraw/zinc/21/19/02/820211902.db2.gz YYDLFIVILCVCFX-UHFFFAOYSA-N 0 0 379.435 4.187 20 10 GICDRN COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCC4)cc3)cc2c1 ZINC000028331997 820325371 /nfs/dbraw/zinc/32/53/71/820325371.db2.gz VAVGYYBTXNRIOH-UHFFFAOYSA-N 0 0 375.472 4.082 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)C2(c3ccc(Br)cc3)CC2)cc1 ZINC000028495375 820340491 /nfs/dbraw/zinc/34/04/91/820340491.db2.gz RYOIKDBVIIBFNA-UHFFFAOYSA-N 0 0 387.321 4.205 20 10 GICDRN CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000028775996 820356527 /nfs/dbraw/zinc/35/65/27/820356527.db2.gz WLIQFMNOGQUBCI-CYBMUJFWSA-N 0 0 397.500 4.242 20 10 GICDRN C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123199822 823477675 /nfs/dbraw/zinc/47/76/75/823477675.db2.gz XTVGXMQLJMDDFB-IRXDYDNUSA-N 0 0 386.923 4.233 20 10 GICDRN C[C@@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000123200229 823477818 /nfs/dbraw/zinc/47/78/18/823477818.db2.gz XTVGXMQLJMDDFB-DLBZAZTESA-N 0 0 386.923 4.233 20 10 GICDRN COc1cc(OC)c(OC)cc1CN(Cc1ccco1)Cc1ccccc1O ZINC000123353493 823500505 /nfs/dbraw/zinc/50/05/05/823500505.db2.gz QSJPYAOLXGHRHZ-UHFFFAOYSA-N 0 0 383.444 4.213 20 10 GICDRN COC(=O)COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1 ZINC000059809873 823499588 /nfs/dbraw/zinc/49/95/88/823499588.db2.gz FXBZGAWSBKINQY-UHFFFAOYSA-N 0 0 392.455 4.207 20 10 GICDRN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000123358839 823501356 /nfs/dbraw/zinc/50/13/56/823501356.db2.gz ATBLLVOQHDGKPJ-QGZVFWFLSA-N 0 0 391.519 4.149 20 10 GICDRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000033337921 821055233 /nfs/dbraw/zinc/05/52/33/821055233.db2.gz OETMOMVFXKARJM-MFOYZWKCSA-N 0 0 385.466 4.220 20 10 GICDRN CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000190005038 823524602 /nfs/dbraw/zinc/52/46/02/823524602.db2.gz CEGUEZNPAFJOIR-UHFFFAOYSA-N 0 0 399.329 4.034 20 10 GICDRN CCOc1cccc(CNc2ccc(C)c(I)c2)c1O ZINC000037056059 821089440 /nfs/dbraw/zinc/08/94/40/821089440.db2.gz UXFWZJYYAPDXGZ-UHFFFAOYSA-N 0 0 383.229 4.316 20 10 GICDRN CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 ZINC000038642755 821098534 /nfs/dbraw/zinc/09/85/34/821098534.db2.gz RRCFJZWTRKSNDD-HSZRJFAPSA-N 0 0 396.531 4.361 20 10 GICDRN COc1cc(O)c(CN(Cc2cccc(C)n2)Cc2cccc(C)n2)cc1OC ZINC000180698191 821401367 /nfs/dbraw/zinc/40/13/67/821401367.db2.gz VGSMQQHUYXZJJU-UHFFFAOYSA-N 0 0 393.487 4.019 20 10 GICDRN CC(C)Cn1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cn1 ZINC000180711732 821410828 /nfs/dbraw/zinc/41/08/28/821410828.db2.gz MNEWEPUWPFOFGB-VGOFMYFVSA-N 0 0 388.393 4.212 20 10 GICDRN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000180913942 821534223 /nfs/dbraw/zinc/53/42/23/821534223.db2.gz AUJGYPVNAKGPIQ-OAQYLSRUSA-N 0 0 395.551 4.310 20 10 GICDRN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180984589 821574680 /nfs/dbraw/zinc/57/46/80/821574680.db2.gz DPJGKOQRSCDGOG-AYAUWGRQSA-N 0 0 394.471 4.073 20 10 GICDRN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181031747 821602589 /nfs/dbraw/zinc/60/25/89/821602589.db2.gz SZGLYGPSJJYEDU-RDELFYGPSA-N 0 0 389.455 4.180 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(COCc2ccccc2)cc1 ZINC000181121346 821646318 /nfs/dbraw/zinc/64/63/18/821646318.db2.gz LIOHCYLFHFDPRN-UKTHLTGXSA-N 0 0 375.424 4.467 20 10 GICDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181583367 821889179 /nfs/dbraw/zinc/88/91/79/821889179.db2.gz ZQEQDOGMWBQATQ-INIZCTEOSA-N 0 0 391.427 4.407 20 10 GICDRN COc1ccc(CCc2nnc(NCc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000181757498 821978828 /nfs/dbraw/zinc/97/88/28/821978828.db2.gz WXSVKUPKZQKZBO-UHFFFAOYSA-N 0 0 392.503 4.466 20 10 GICDRN C[C@H](NCc1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177972267 822264283 /nfs/dbraw/zinc/26/42/83/822264283.db2.gz VYEWSMBVVWCMGV-INIZCTEOSA-N 0 0 381.451 4.168 20 10 GICDRN O=C1/C(=C/c2cccc(Cl)c2F)SC(=S)N1CCc1cccnc1 ZINC000178003658 822278550 /nfs/dbraw/zinc/27/85/50/822278550.db2.gz LUJDIYOKFYXCIU-ZROIWOOFSA-N 0 0 378.881 4.318 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H](C)c2nccs2)cc1F ZINC000182570204 822307516 /nfs/dbraw/zinc/30/75/16/822307516.db2.gz BALGMJUXZMKDHT-CQSZACIVSA-N 0 0 378.517 4.074 20 10 GICDRN CCCOc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000045882335 822421546 /nfs/dbraw/zinc/42/15/46/822421546.db2.gz KJWQOXXYANRZRW-NRFANRHFSA-N 0 0 398.503 4.072 20 10 GICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000183122594 822427603 /nfs/dbraw/zinc/42/76/03/822427603.db2.gz UUKJKCLAAJNHFT-UHFFFAOYSA-N 0 0 390.443 4.371 20 10 GICDRN Cc1nn(-c2ccccc2)cc1N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000183169174 822434743 /nfs/dbraw/zinc/43/47/43/822434743.db2.gz XGBITDAFTTWVPR-MRXNPFEDSA-N 0 0 380.467 4.330 20 10 GICDRN COCc1ccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000046155439 822445323 /nfs/dbraw/zinc/44/53/23/822445323.db2.gz GXEQQRGXYCQITG-UHFFFAOYSA-N 0 0 381.520 4.165 20 10 GICDRN COCc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000046158047 822445777 /nfs/dbraw/zinc/44/57/77/822445777.db2.gz UEQSYAYOMWSKCX-UHFFFAOYSA-N 0 0 381.520 4.165 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179348868 822469111 /nfs/dbraw/zinc/46/91/11/822469111.db2.gz GVNUDZAOJIBSNB-LJQANCHMSA-N 0 0 389.503 4.109 20 10 GICDRN COc1ccc(/C=C(\C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000183452621 822477225 /nfs/dbraw/zinc/47/72/25/822477225.db2.gz NQRPKPBXVJVRBJ-APEZIOSESA-N 0 0 399.462 4.151 20 10 GICDRN CC(C)(C)c1nc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000179622767 822514573 /nfs/dbraw/zinc/51/45/73/822514573.db2.gz GFSKINYAKAOUBU-UHFFFAOYSA-N 0 0 386.565 4.083 20 10 GICDRN c1coc(-c2nnc(CN(Cc3cccs3)c3ccc4c(c3)OCCO4)o2)c1 ZINC000183802753 822529883 /nfs/dbraw/zinc/52/98/83/822529883.db2.gz KTOMHGNSMKORJJ-UHFFFAOYSA-N 0 0 395.440 4.369 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000183871147 822538641 /nfs/dbraw/zinc/53/86/41/822538641.db2.gz UILZYTYQDRMDJK-MRXNPFEDSA-N 0 0 385.556 4.353 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)N(Cc1ccccc1)C1CC1 ZINC000047036250 822538716 /nfs/dbraw/zinc/53/87/16/822538716.db2.gz MYDGWOTWUUKJFY-UHFFFAOYSA-N 0 0 381.545 4.114 20 10 GICDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc2ccccc21 ZINC000047324801 822566329 /nfs/dbraw/zinc/56/63/29/822566329.db2.gz YDDOHEGESSLCND-UHFFFAOYSA-N 0 0 393.462 4.262 20 10 GICDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc2nnn(C)c2c1 ZINC000184041615 822569548 /nfs/dbraw/zinc/56/95/48/822569548.db2.gz ODSAMXGJOCXZOF-INIZCTEOSA-N 0 0 386.455 4.078 20 10 GICDRN CC(=O)Nc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1C ZINC000047547940 822589416 /nfs/dbraw/zinc/58/94/16/822589416.db2.gz UJMLFRSKAFZCGK-UHFFFAOYSA-N 0 0 393.443 4.486 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)Nc3ccccc3C[S@](C)=O)cc2)CC1 ZINC000184307592 822611790 /nfs/dbraw/zinc/61/17/90/822611790.db2.gz RMUCLYPZDXTNRE-NDEPHWFRSA-N 0 0 399.560 4.123 20 10 GICDRN C[S@@](=O)Cc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000184319147 822614108 /nfs/dbraw/zinc/61/41/08/822614108.db2.gz IWYFJYBDLRIFFT-MUUNZHRXSA-N 0 0 398.484 4.098 20 10 GICDRN Cc1ccc(C(=O)CCCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000184415292 822630984 /nfs/dbraw/zinc/63/09/84/822630984.db2.gz RRLZYJSWIHKROJ-UHFFFAOYSA-N 0 0 396.556 4.218 20 10 GICDRN O=C(C[C@H](O)c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000180168102 822631263 /nfs/dbraw/zinc/63/12/63/822631263.db2.gz CXAIDTHWHZSOES-FQEVSTJZSA-N 0 0 385.847 4.291 20 10 GICDRN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000048104072 822633073 /nfs/dbraw/zinc/63/30/73/822633073.db2.gz YWBVAEGYGRZHDW-MRXNPFEDSA-N 0 0 381.476 4.071 20 10 GICDRN CCCOc1ccc(CN[C@H](c2noc(C)n2)c2ccc(Cl)cc2)c(O)c1 ZINC000180194603 822636773 /nfs/dbraw/zinc/63/67/73/822636773.db2.gz PMNOHJWHANGSEM-IBGZPJMESA-N 0 0 387.867 4.405 20 10 GICDRN COc1ccc(NCc2cc(F)ccc2O)cc1OCc1cn2ccccc2n1 ZINC000180332647 822664996 /nfs/dbraw/zinc/66/49/96/822664996.db2.gz APQCNZJQUUYNRS-UHFFFAOYSA-N 0 0 393.418 4.379 20 10 GICDRN COc1ccc(N2CCC(NC(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000184615710 822666118 /nfs/dbraw/zinc/66/61/18/822666118.db2.gz QGGDSOADZKFIML-UHFFFAOYSA-N 0 0 385.533 4.208 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 ZINC000184727639 822683019 /nfs/dbraw/zinc/68/30/19/822683019.db2.gz RWIAJVOFLVZOSY-UHFFFAOYSA-N 0 0 394.519 4.154 20 10 GICDRN CCC(CC)n1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1C ZINC000180526769 822696536 /nfs/dbraw/zinc/69/65/36/822696536.db2.gz OEZNFESBDKPDOH-LJQANCHMSA-N 0 0 385.508 4.080 20 10 GICDRN COc1cc(CN2CCN([C@H](C)c3nccs3)CC2)c(O)c(C(C)(C)C)c1 ZINC000184900727 822710098 /nfs/dbraw/zinc/71/00/98/822710098.db2.gz KMKJDMYITRTILN-OAHLLOKOSA-N 0 0 389.565 4.034 20 10 GICDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184979930 822721137 /nfs/dbraw/zinc/72/11/37/822721137.db2.gz VYYLRBHCEAACHV-NSHDSACASA-N 0 0 383.275 4.247 20 10 GICDRN C[C@H]([NH2+]Cc1nccs1)c1cc(Br)cc(Br)c1[O-] ZINC000185087633 822735076 /nfs/dbraw/zinc/73/50/76/822735076.db2.gz TWQJPHPFIOZGMU-ZETCQYMHSA-N 0 0 392.116 4.225 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000051237885 822751802 /nfs/dbraw/zinc/75/18/02/822751802.db2.gz QEYUFWUHKLZUSM-UNMCSNQZSA-N 0 0 381.520 4.062 20 10 GICDRN CN(C)c1ccc(CNC(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051237884 822751815 /nfs/dbraw/zinc/75/18/15/822751815.db2.gz QEYUFWUHKLZUSM-IFMALSPDSA-N 0 0 381.520 4.062 20 10 GICDRN Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Br)c2[O-])on1 ZINC000185357104 822770722 /nfs/dbraw/zinc/77/07/22/822770722.db2.gz VAKJCMFVZKHPJL-QMMMGPOBSA-N 0 0 390.075 4.064 20 10 GICDRN [O-]c1c(Br)cccc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000174390847 822782813 /nfs/dbraw/zinc/78/28/13/822782813.db2.gz FGJXPXGECGXCQW-UHFFFAOYSA-N 0 0 380.257 4.089 20 10 GICDRN O=C(CCc1ncc(-c2ccccc2)o1)NCc1c(O)ccc2c1CCCC2 ZINC000174515846 822799760 /nfs/dbraw/zinc/79/97/60/822799760.db2.gz XNRLJSPHFFNZCJ-UHFFFAOYSA-N 0 0 376.456 4.175 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2cc(N3CCOC3=O)ccc2C)cc1 ZINC000174529353 822801673 /nfs/dbraw/zinc/80/16/73/822801673.db2.gz DUZAFUJSNOOSRF-UHFFFAOYSA-N 0 0 396.491 4.120 20 10 GICDRN O=C(NCc1ccc(C(F)F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000185704192 822812090 /nfs/dbraw/zinc/81/20/90/822812090.db2.gz RERLIDRTTBHIKV-SFHVURJKSA-N 0 0 390.430 4.221 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000052851312 822813197 /nfs/dbraw/zinc/81/31/97/822813197.db2.gz SWKOKVNEGVOZKH-UHFFFAOYSA-N 0 0 378.419 4.025 20 10 GICDRN C[C@H](Sc1nccs1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000052913883 822815445 /nfs/dbraw/zinc/81/54/45/822815445.db2.gz OQFUFHUUMCNRGU-VIFPVBQESA-N 0 0 392.487 4.294 20 10 GICDRN COCCN(Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccc(OC)c(OC)c1 ZINC000174798585 822838635 /nfs/dbraw/zinc/83/86/35/822838635.db2.gz KLVYXUINEZTYKU-UHFFFAOYSA-N 0 0 397.471 4.080 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000053661954 822844129 /nfs/dbraw/zinc/84/41/29/822844129.db2.gz BWJCVIBICYSMOD-QHCPKHFHSA-N 0 0 391.515 4.065 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000175048736 822873476 /nfs/dbraw/zinc/87/34/76/822873476.db2.gz QQTBFJCVUBNRAL-QHCPKHFHSA-N 0 0 396.531 4.284 20 10 GICDRN Cc1cc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c(C)n1-c1ccccn1 ZINC000186407238 822889458 /nfs/dbraw/zinc/88/94/58/822889458.db2.gz UZVIRZCTAGSHTR-UHFFFAOYSA-N 0 0 387.487 4.041 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000186410556 822889960 /nfs/dbraw/zinc/88/99/60/822889960.db2.gz YBSHRAFENSRAIO-CQSZACIVSA-N 0 0 383.419 4.177 20 10 GICDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000186492679 822904387 /nfs/dbraw/zinc/90/43/87/822904387.db2.gz HGGBGUYEBQZKCM-CVEARBPZSA-N 0 0 376.522 4.092 20 10 GICDRN CC(C)(C)c1cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054847812 822918010 /nfs/dbraw/zinc/91/80/10/822918010.db2.gz OBQDINWTUUUNPG-SFHVURJKSA-N 0 0 393.593 4.139 20 10 GICDRN C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186663120 822932276 /nfs/dbraw/zinc/93/22/76/822932276.db2.gz ATPUQXOCEWUJSP-CQSZACIVSA-N 0 0 382.485 4.041 20 10 GICDRN C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1ccc2ccccc2c1O ZINC000186663104 822932347 /nfs/dbraw/zinc/93/23/47/822932347.db2.gz ATPUQXOCEWUJSP-AWEZNQCLSA-N 0 0 382.485 4.041 20 10 GICDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000055356308 822954194 /nfs/dbraw/zinc/95/41/94/822954194.db2.gz WLLJKKMETWEYEM-UHFFFAOYSA-N 0 0 384.392 4.054 20 10 GICDRN Cc1cc(C(=O)N2CCSC3(CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000186841508 822965678 /nfs/dbraw/zinc/96/56/78/822965678.db2.gz WXRAJJRBDOXHOU-UHFFFAOYSA-N 0 0 384.545 4.141 20 10 GICDRN Cc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)c(C)c1O ZINC000187061249 823005371 /nfs/dbraw/zinc/00/53/71/823005371.db2.gz PESSQSHHMXEVFW-UHFFFAOYSA-N 0 0 377.359 4.276 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1coc(-c2ccccc2)n1 ZINC000175617195 823007496 /nfs/dbraw/zinc/00/74/96/823007496.db2.gz MADGNRAWDRRVPK-UHFFFAOYSA-N 0 0 378.476 4.139 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](COCc2ccccc2)C1 ZINC000175640946 823011243 /nfs/dbraw/zinc/01/12/43/823011243.db2.gz LEKKZGKPCWZDNO-QFIPXVFZSA-N 0 0 393.531 4.035 20 10 GICDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1cccs1 ZINC000175759829 823033449 /nfs/dbraw/zinc/03/34/49/823033449.db2.gz QXLZMVNXAXEILV-SJLPKXTDSA-N 0 0 388.533 4.023 20 10 GICDRN O=C(Nc1ccc(F)cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124052361 823563273 /nfs/dbraw/zinc/56/32/73/823563273.db2.gz SEXFTZYLQNQRRF-HNNXBMFYSA-N 0 0 378.831 4.398 20 10 GICDRN CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000190415386 823570730 /nfs/dbraw/zinc/57/07/30/823570730.db2.gz IOAIQJKOQPXDRA-UHFFFAOYSA-N 0 0 376.504 4.282 20 10 GICDRN O=C(Nc1cccc(C(F)(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000124177877 823574846 /nfs/dbraw/zinc/57/48/46/823574846.db2.gz RCFSIPSBKYRGJV-AWEZNQCLSA-N 0 0 395.381 4.019 20 10 GICDRN COc1ccc(O)c(CNC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000190551806 823585672 /nfs/dbraw/zinc/58/56/72/823585672.db2.gz OHAWJPWBSOUAEE-LBPRGKRZSA-N 0 0 382.382 4.023 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1CCCCCC1 ZINC000190930094 823626147 /nfs/dbraw/zinc/62/61/47/823626147.db2.gz OVCMSKNMOLZRLG-INIZCTEOSA-N 0 0 383.492 4.231 20 10 GICDRN O=C(Nc1ccc2c(c1)CCC(=O)N2)N(Cc1ccco1)Cc1ccccc1O ZINC000124888536 823634144 /nfs/dbraw/zinc/63/41/44/823634144.db2.gz PYJOGSZQQCLQDO-UHFFFAOYSA-N 0 0 391.427 4.104 20 10 GICDRN CCOc1cc(O)ccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000190984041 823634427 /nfs/dbraw/zinc/63/44/27/823634427.db2.gz NYGUXUFFPSAJSQ-UHFFFAOYSA-N 0 0 375.428 4.322 20 10 GICDRN CCCOc1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000124930534 823638060 /nfs/dbraw/zinc/63/80/60/823638060.db2.gz JBHAQCKKUYLUPN-HXUWFJFHSA-N 0 0 384.476 4.394 20 10 GICDRN O=C(c1ccc(Cn2ccnc2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000125299808 823666066 /nfs/dbraw/zinc/66/60/66/823666066.db2.gz NVRXCRMJBSYVBI-UHFFFAOYSA-N 0 0 387.439 4.073 20 10 GICDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000125306296 823666559 /nfs/dbraw/zinc/66/65/59/823666559.db2.gz ZIGXSVLOYUIHNT-ZZXKWVIFSA-N 0 0 395.684 4.265 20 10 GICDRN O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1O ZINC000125309772 823666842 /nfs/dbraw/zinc/66/68/42/823666842.db2.gz VOWOZHBMKCXTJR-UHFFFAOYSA-N 0 0 399.830 4.252 20 10 GICDRN O=C(c1ccccc1SCc1cccs1)N1CCS[C@@H]2COCC[C@H]21 ZINC000125461149 823678082 /nfs/dbraw/zinc/67/80/82/823678082.db2.gz JLQOMOGOOANFHC-SJLPKXTDSA-N 0 0 391.583 4.387 20 10 GICDRN CC(C)Oc1cccc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000125491333 823680563 /nfs/dbraw/zinc/68/05/63/823680563.db2.gz MSYKKQSTOCFLRR-SFHVURJKSA-N 0 0 379.504 4.410 20 10 GICDRN CC(C)Oc1ccc(N(C)CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000191579898 823703704 /nfs/dbraw/zinc/70/37/04/823703704.db2.gz JNCKBRHQROTJCR-OAQYLSRUSA-N 0 0 395.528 4.272 20 10 GICDRN CCS(=O)(=O)c1ccc2oc(CN(C)c3ccc(OC(C)C)cc3)nc2c1 ZINC000191586131 823704702 /nfs/dbraw/zinc/70/47/02/823704702.db2.gz MMHZJTNEDDHKTC-UHFFFAOYSA-N 0 0 388.489 4.045 20 10 GICDRN CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ncc(C(C)(C)C)s2)cc1 ZINC000164044894 823773311 /nfs/dbraw/zinc/77/33/11/823773311.db2.gz PEZSEGGZYOPGHM-ZDUSSCGKSA-N 0 0 390.574 4.483 20 10 GICDRN COc1ccc(CNC(=O)[C@H](C)Sc2ncc(C(C)(C)C)s2)cc1OC ZINC000164111922 823778672 /nfs/dbraw/zinc/77/86/72/823778672.db2.gz WWELSEJCVSHWAN-LBPRGKRZSA-N 0 0 394.562 4.255 20 10 GICDRN O=C(Nc1cccc2[nH]ccc21)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164309268 823795021 /nfs/dbraw/zinc/79/50/21/823795021.db2.gz QTGVVPMDRLMLJK-UHFFFAOYSA-N 0 0 391.471 4.174 20 10 GICDRN CCOc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000164308751 823795199 /nfs/dbraw/zinc/79/51/99/823795199.db2.gz CDUGBIUWHUNUPF-UHFFFAOYSA-N 0 0 396.487 4.091 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(C)c(OC)c3C)CC2)cc1 ZINC000170666850 823929438 /nfs/dbraw/zinc/92/94/38/823929438.db2.gz WQQHHJMIKGCHGV-UHFFFAOYSA-N 0 0 383.492 4.111 20 10 GICDRN O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1CCc1cccnc1 ZINC000170811178 823977645 /nfs/dbraw/zinc/97/76/45/823977645.db2.gz RZZKHSPDNVAOII-XNTDXEJSSA-N 0 0 392.452 4.127 20 10 GICDRN COc1ccc(N2CCC(NC(=O)C3(c4ccccc4)CCCC3)CC2)cc1 ZINC000171018298 824038547 /nfs/dbraw/zinc/03/85/47/824038547.db2.gz WFCWCUYAUUXVRP-UHFFFAOYSA-N 0 0 378.516 4.292 20 10 GICDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000171066705 824054388 /nfs/dbraw/zinc/05/43/88/824054388.db2.gz VPYNLNWNEKCQDB-HXUWFJFHSA-N 0 0 397.544 4.200 20 10 GICDRN COC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000171067549 824054736 /nfs/dbraw/zinc/05/47/36/824054736.db2.gz TUVGHKCIUARYNW-FQEVSTJZSA-N 0 0 380.444 4.085 20 10 GICDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192644748 824054861 /nfs/dbraw/zinc/05/48/61/824054861.db2.gz QAHLIKSXIVJUDM-LLVKDONJSA-N 0 0 383.275 4.247 20 10 GICDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000175860266 823057311 /nfs/dbraw/zinc/05/73/11/823057311.db2.gz MRZGENTYYQCIKQ-MRXNPFEDSA-N 0 0 398.551 4.218 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)C=C(C)C)cc1 ZINC000175867041 823059335 /nfs/dbraw/zinc/05/93/35/823059335.db2.gz VXIFTMSAOFXFQB-UHFFFAOYSA-N 0 0 380.488 4.027 20 10 GICDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000175866744 823059396 /nfs/dbraw/zinc/05/93/96/823059396.db2.gz CQWXRGXABQFQKV-UHFFFAOYSA-N 0 0 388.464 4.062 20 10 GICDRN O=C(c1cc(F)c(F)cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120825498 823071894 /nfs/dbraw/zinc/07/18/94/823071894.db2.gz PKESEMFIKOWFIT-ZDUSSCGKSA-N 0 0 381.806 4.145 20 10 GICDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)cc1 ZINC000175909044 823070052 /nfs/dbraw/zinc/07/00/52/823070052.db2.gz DGDIWYZCRKIBTR-UKILVPOCSA-N 0 0 390.527 4.074 20 10 GICDRN Cc1noc([C@H]2CCCN(C(=O)c3cc(C)n(-c4cccc(C)c4)c3C)C2)n1 ZINC000056130989 823086019 /nfs/dbraw/zinc/08/60/19/823086019.db2.gz FIEWDVBNQAHJOS-SFHVURJKSA-N 0 0 378.476 4.114 20 10 GICDRN COCc1cccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000187595184 823094484 /nfs/dbraw/zinc/09/44/84/823094484.db2.gz WUAVQFNRTCRDAX-UHFFFAOYSA-N 0 0 394.437 4.033 20 10 GICDRN COCC(=O)N1CCc2cc(N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc21 ZINC000187663314 823108397 /nfs/dbraw/zinc/10/83/97/823108397.db2.gz ZDAKAPIBBWBLDZ-SFHVURJKSA-N 0 0 393.531 4.386 20 10 GICDRN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1cc2ccccc2o1 ZINC000176105588 823122256 /nfs/dbraw/zinc/12/22/56/823122256.db2.gz SEYUJMOSIIAHMK-MRXNPFEDSA-N 0 0 380.513 4.406 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000056330295 823129468 /nfs/dbraw/zinc/12/94/68/823129468.db2.gz JESJCQURAMYDAG-UHFFFAOYSA-N 0 0 396.535 4.127 20 10 GICDRN COc1ccc([C@@H](C)CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000176154907 823138088 /nfs/dbraw/zinc/13/80/88/823138088.db2.gz URXSDKREDHYCAH-LAUBAEHRSA-N 0 0 383.488 4.102 20 10 GICDRN Cc1coc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc12 ZINC000187951238 823162937 /nfs/dbraw/zinc/16/29/37/823162937.db2.gz LUZNUYNSCSRPCD-UHFFFAOYSA-N 0 0 397.450 4.163 20 10 GICDRN CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)OCO2 ZINC000121376036 823173282 /nfs/dbraw/zinc/17/32/82/823173282.db2.gz FBONYQOAJFRNKU-UHFFFAOYSA-N 0 0 391.452 4.017 20 10 GICDRN Cc1cc(C(=O)Nc2cnn(C)c2C)c(C)n1-c1ccccc1Br ZINC000176317094 823180405 /nfs/dbraw/zinc/18/04/05/823180405.db2.gz UCPASQBKVBPPEL-UHFFFAOYSA-N 0 0 387.281 4.151 20 10 GICDRN CCOc1ccc([C@H](C)NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000056827691 823219746 /nfs/dbraw/zinc/21/97/46/823219746.db2.gz XIIQQCAOFITULR-SFHVURJKSA-N 0 0 397.519 4.077 20 10 GICDRN C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)s1 ZINC000176646537 823256417 /nfs/dbraw/zinc/25/64/17/823256417.db2.gz PLEVDSHAKHDMCK-AWEZNQCLSA-N 0 0 392.952 4.030 20 10 GICDRN CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000176646679 823256441 /nfs/dbraw/zinc/25/64/41/823256441.db2.gz HAUMHDUYNSRPQG-GOSISDBHSA-N 0 0 396.531 4.003 20 10 GICDRN CCOc1cc(/C=C2/SC(=S)N(c3cccc(OC)c3)C2=O)ccc1O ZINC000000977996 817374502 /nfs/dbraw/zinc/37/45/02/817374502.db2.gz GPERYIHVTLJPMH-LICLKQGHSA-N 0 0 387.482 4.205 20 10 GICDRN CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000001177817 817375046 /nfs/dbraw/zinc/37/50/46/817375046.db2.gz SOSZBLSAQGKWRC-LDADJPATSA-N 0 0 385.510 4.495 20 10 GICDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001870783 817377322 /nfs/dbraw/zinc/37/73/22/817377322.db2.gz NXMINUAEMUGBGP-SFQUDFHCSA-N 0 0 383.429 4.311 20 10 GICDRN CC(C)Oc1ccccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000057211301 823264742 /nfs/dbraw/zinc/26/47/42/823264742.db2.gz NTONTFJFHSXQGG-UHFFFAOYSA-N 0 0 399.560 4.026 20 10 GICDRN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C ZINC000004541409 817531000 /nfs/dbraw/zinc/53/10/00/817531000.db2.gz YVWFIEFQKMLYBL-UHFFFAOYSA-N 0 0 392.455 4.281 20 10 GICDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)c3ncccc3C)ccc21 ZINC000572084523 823280492 /nfs/dbraw/zinc/28/04/92/823280492.db2.gz ICDYDLWXDJTKRT-UHFFFAOYSA-N 0 0 393.531 4.316 20 10 GICDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000007209151 817794407 /nfs/dbraw/zinc/79/44/07/817794407.db2.gz OVXUPXCZVTUNBV-GZTJUZNOSA-N 0 0 399.497 4.375 20 10 GICDRN CCN(CCNC(=S)Nc1ccc(OC(F)F)cc1)c1cccc(C)c1 ZINC000007368802 817825451 /nfs/dbraw/zinc/82/54/51/817825451.db2.gz NQVBZVUEOHTERH-UHFFFAOYSA-N 0 0 379.476 4.409 20 10 GICDRN CCOC(=O)CSCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000057471099 823300895 /nfs/dbraw/zinc/30/08/95/823300895.db2.gz FDUFSVIOOAALPR-UHFFFAOYSA-N 0 0 397.443 4.175 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000188776616 823303021 /nfs/dbraw/zinc/30/30/21/823303021.db2.gz ICYGBOCHEHZHRP-KRWDZBQOSA-N 0 0 393.487 4.172 20 10 GICDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011437409 818081090 /nfs/dbraw/zinc/08/10/90/818081090.db2.gz RUUZVJPLOKZJPR-MRXNPFEDSA-N 0 0 387.439 4.249 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015141592 818295097 /nfs/dbraw/zinc/29/50/97/818295097.db2.gz RIYBEJWWQKCFIP-UHFFFAOYSA-N 0 0 395.381 4.087 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015571591 818340587 /nfs/dbraw/zinc/34/05/87/818340587.db2.gz CZCUTBLQVNLLQL-UHFFFAOYSA-N 0 0 397.475 4.084 20 10 GICDRN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1 ZINC000016441087 818442152 /nfs/dbraw/zinc/44/21/52/818442152.db2.gz MBHOUBWWCLUJRJ-SXGWCWSVSA-N 0 0 375.446 4.249 20 10 GICDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C=C1SC(NC2CCCC2)=NC1=O ZINC000057838496 823339848 /nfs/dbraw/zinc/33/98/48/823339848.db2.gz JFHZXDZUIHAUTK-WQRHYEAKSA-N 0 0 384.480 4.131 20 10 GICDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=S)Nc1ccccc1Cl ZINC000018945349 818581948 /nfs/dbraw/zinc/58/19/48/818581948.db2.gz FOBCPDAVUIRPLU-UHFFFAOYSA-N 0 0 375.925 4.005 20 10 GICDRN COc1ccccc1N1C(=O)/C(=C\c2ccc(-n3ccnc3)cc2)SC1=S ZINC000022226065 818784280 /nfs/dbraw/zinc/78/42/80/818784280.db2.gz JIZZLTHWKKSTIO-LDADJPATSA-N 0 0 393.493 4.287 20 10 GICDRN COc1ccc(N(CC(=O)Nc2cccnc2Cl)Cc2ccccc2)cc1 ZINC000022983829 818884560 /nfs/dbraw/zinc/88/45/60/818884560.db2.gz COUGPILCXVBPJJ-UHFFFAOYSA-N 0 0 381.863 4.389 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000024207754 819034131 /nfs/dbraw/zinc/03/41/31/819034131.db2.gz MYSUBXBWJOEQNY-UHFFFAOYSA-N 0 0 391.515 4.298 20 10 GICDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](c2ccsc2)O1 ZINC000177154720 823385402 /nfs/dbraw/zinc/38/54/02/823385402.db2.gz TWSKOSXOSRMKSE-OXQOHEQNSA-N 0 0 385.533 4.020 20 10 GICDRN C[C@H](c1ccccc1)N(C(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc(N)cc1 ZINC000189448050 823419022 /nfs/dbraw/zinc/41/90/22/823419022.db2.gz RLFXFZOLHKLRSO-CQSZACIVSA-N 0 0 395.409 4.280 20 10 GICDRN C[C@@H](c1ccccc1)N(C(=O)C(=O)Nc1ccc(F)cc1F)c1ccc(N)cc1 ZINC000189449677 823419384 /nfs/dbraw/zinc/41/93/84/823419384.db2.gz NTTJPLTZXZMCTH-AWEZNQCLSA-N 0 0 395.409 4.280 20 10 GICDRN Cc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c(F)c1 ZINC000189447114 823418777 /nfs/dbraw/zinc/41/87/77/823418777.db2.gz BLEOWXBOLNYMGF-MRXNPFEDSA-N 0 0 391.446 4.449 20 10 GICDRN Cc1cccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@H](C)c2ccccc2)c1C#N ZINC000189447207 823418814 /nfs/dbraw/zinc/41/88/14/823418814.db2.gz KZBNPUGPMMZYHC-QGZVFWFLSA-N 0 0 398.466 4.182 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2nc3c(s2)CCCC3)cc1 ZINC000177411255 823455774 /nfs/dbraw/zinc/45/57/74/823455774.db2.gz MOVGQBBXICNFJK-UHFFFAOYSA-N 0 0 386.565 4.210 20 10 GICDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc(O)cc1 ZINC000027104454 820194492 /nfs/dbraw/zinc/19/44/92/820194492.db2.gz MKASTTFDJMKLQH-UHFFFAOYSA-N 0 0 396.468 4.022 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1cnc2ccccc21 ZINC000027157423 820202450 /nfs/dbraw/zinc/20/24/50/820202450.db2.gz ZFOWOMSOSKJLAE-UHFFFAOYSA-N 0 0 376.504 4.075 20 10 GICDRN Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1cccc(C)c1 ZINC000027223641 820211797 /nfs/dbraw/zinc/21/17/97/820211797.db2.gz FISVTWQYZWOHFR-UHFFFAOYSA-N 0 0 375.472 4.357 20 10 GICDRN CN(C)c1ccc(CN(C)C(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 ZINC000027380063 820235238 /nfs/dbraw/zinc/23/52/38/820235238.db2.gz MLBYKARWXDRYDR-UHFFFAOYSA-N 0 0 383.492 4.216 20 10 GICDRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N(C)Cc1ccccc1O ZINC000123139749 823468910 /nfs/dbraw/zinc/46/89/10/823468910.db2.gz BTOACBJCEYICMI-LBPRGKRZSA-N 0 0 395.272 4.066 20 10 GICDRN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccc(N(C)C)cc3)c12 ZINC000028853138 820364547 /nfs/dbraw/zinc/36/45/47/820364547.db2.gz KESOPKFVDFABBB-UHFFFAOYSA-N 0 0 386.455 4.194 20 10 GICDRN COc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1O ZINC000028975410 820378886 /nfs/dbraw/zinc/37/88/86/820378886.db2.gz DWHWBXRDJJKHCY-YVLHZVERSA-N 0 0 385.466 4.009 20 10 GICDRN Cc1cc(-c2csc(NC(=O)[C@H]3CCCO3)n2)c(C)n1-c1ccc(F)cc1 ZINC000030813300 820686792 /nfs/dbraw/zinc/68/67/92/820686792.db2.gz CKYIDMBKWWBKMU-GOSISDBHSA-N 0 0 385.464 4.474 20 10 GICDRN Cc1nc(Cl)sc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000177614833 823501754 /nfs/dbraw/zinc/50/17/54/823501754.db2.gz RDEORPIINNLBJE-UHFFFAOYSA-N 0 0 391.846 4.376 20 10 GICDRN Cc1cc(C(=O)CSc2nnc(N)n2C2CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000031453582 820813637 /nfs/dbraw/zinc/81/36/37/820813637.db2.gz MXSQGFXXQGZAHM-UHFFFAOYSA-N 0 0 395.532 4.195 20 10 GICDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(OCc2ccccn2)c1 ZINC000123458849 823511165 /nfs/dbraw/zinc/51/11/65/823511165.db2.gz DLCVLPBLWVGFGI-KRWDZBQOSA-N 0 0 391.471 4.269 20 10 GICDRN Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c(O)c1O ZINC000177672400 823511468 /nfs/dbraw/zinc/51/14/68/823511468.db2.gz CREOLAKQLNJMRH-UHFFFAOYSA-N 0 0 395.499 4.340 20 10 GICDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc3c(cc2O)CCCC3)n1 ZINC000189922669 823514273 /nfs/dbraw/zinc/51/42/73/823514273.db2.gz XNDIRPFLFWMOAZ-SFHVURJKSA-N 0 0 386.517 4.241 20 10 GICDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)s1 ZINC000177894001 823542639 /nfs/dbraw/zinc/54/26/39/823542639.db2.gz NYEZDZUAKFTOGR-UVTDQMKNSA-N 0 0 376.528 4.229 20 10 GICDRN CC(C)c1noc(-c2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc2)n1 ZINC000060364315 823520047 /nfs/dbraw/zinc/52/00/47/823520047.db2.gz PABJIVCALRDBDF-UHFFFAOYSA-N 0 0 379.464 4.248 20 10 GICDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000177763051 823522101 /nfs/dbraw/zinc/52/21/01/823522101.db2.gz WYYVLUATPZAQCY-UHFFFAOYSA-N 0 0 397.525 4.047 20 10 GICDRN COCc1ccc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000033190961 821046195 /nfs/dbraw/zinc/04/61/95/821046195.db2.gz YGLZKOKTFHJPGF-UHFFFAOYSA-N 0 0 378.472 4.179 20 10 GICDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177801012 823527710 /nfs/dbraw/zinc/52/77/10/823527710.db2.gz VEPYQHBYERGCSB-UHFFFAOYSA-N 0 0 389.503 4.019 20 10 GICDRN COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000035683618 821066197 /nfs/dbraw/zinc/06/61/97/821066197.db2.gz OHYILQMUABEFBV-UHFFFAOYSA-N 0 0 387.483 4.083 20 10 GICDRN O=C(NCCCSc1nccs1)N1CCC(OCc2ccccc2)CC1 ZINC000177851392 823536403 /nfs/dbraw/zinc/53/64/03/823536403.db2.gz AXQPKCOUJAQYBQ-UHFFFAOYSA-N 0 0 391.562 4.016 20 10 GICDRN CN(Cc1ccccc1O)C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000190114253 823538966 /nfs/dbraw/zinc/53/89/66/823538966.db2.gz WIQBVQXGYVLALP-UHFFFAOYSA-N 0 0 379.378 4.272 20 10 GICDRN COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000043154887 821369523 /nfs/dbraw/zinc/36/95/23/821369523.db2.gz NIOGAVRPSOVLEE-UHFFFAOYSA-N 0 0 380.275 4.356 20 10 GICDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000180679806 821393537 /nfs/dbraw/zinc/39/35/37/821393537.db2.gz XLDYVNUPAQLSDR-ACCUITESSA-N 0 0 398.422 4.202 20 10 GICDRN COc1cc(N(C)Cc2cccc(OCc3ccccn3)c2)cc(OC)c1OC ZINC000180756138 821436674 /nfs/dbraw/zinc/43/66/74/821436674.db2.gz QIHCRQHHVDJFDR-UHFFFAOYSA-N 0 0 394.471 4.323 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000180762015 821440772 /nfs/dbraw/zinc/44/07/72/821440772.db2.gz YGQKQZZVFWPNOV-PABFRNLHSA-N 0 0 378.428 4.045 20 10 GICDRN CCOc1cccc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1O ZINC000180775662 821449126 /nfs/dbraw/zinc/44/91/26/821449126.db2.gz GDXUNMIBMKRGKZ-GOSISDBHSA-N 0 0 381.394 4.383 20 10 GICDRN CNC(=O)c1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000044176866 821541028 /nfs/dbraw/zinc/54/10/28/821541028.db2.gz VAJBDASTGNHMRC-UHFFFAOYSA-N 0 0 394.519 4.009 20 10 GICDRN CN(C(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1)C1CCCCC1 ZINC000180964269 821559571 /nfs/dbraw/zinc/55/95/71/821559571.db2.gz MVJFDPKXWFKSMC-RIYZIHGNSA-N 0 0 394.471 4.154 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000181032533 821603278 /nfs/dbraw/zinc/60/32/78/821603278.db2.gz USOVNVNEBGRWMS-JXMROGBWSA-N 0 0 379.456 4.017 20 10 GICDRN Cc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000044859595 821673647 /nfs/dbraw/zinc/67/36/47/821673647.db2.gz NEWKMEJSBCHWPD-UHFFFAOYSA-N 0 0 395.547 4.158 20 10 GICDRN COc1ccc(O)c(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c1 ZINC000181408518 821810325 /nfs/dbraw/zinc/81/03/25/821810325.db2.gz FDNSLTLJOSUJEP-UHFFFAOYSA-N 0 0 380.419 4.333 20 10 GICDRN c1ccc2c(c1)OC[C@@H](c1nnc(NCc3ccc(N4CCCCC4)cc3)o1)O2 ZINC000182212319 822149968 /nfs/dbraw/zinc/14/99/68/822149968.db2.gz PGYQHFTXUIOVDP-FQEVSTJZSA-N 0 0 392.459 4.185 20 10 GICDRN O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccc(O)c(O)c1 ZINC000182535019 822288190 /nfs/dbraw/zinc/28/81/90/822288190.db2.gz YJPQXZXNLWNLCM-UHFFFAOYSA-N 0 0 392.480 4.407 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)cc1 ZINC000182566613 822306058 /nfs/dbraw/zinc/30/60/58/822306058.db2.gz IJDZKPRDJJKSEO-UHFFFAOYSA-N 0 0 388.443 4.172 20 10 GICDRN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000182657745 822341358 /nfs/dbraw/zinc/34/13/58/822341358.db2.gz FXSFHEGETTXRCX-OAQYLSRUSA-N 0 0 393.535 4.230 20 10 GICDRN Cc1ccc(NC(=O)COc2ccc(N3CCCC3)cc2)c(Br)c1 ZINC000178191174 822347888 /nfs/dbraw/zinc/34/78/88/822347888.db2.gz GBELERNGCBYNDG-UHFFFAOYSA-N 0 0 389.293 4.375 20 10 GICDRN CC[C@@H](Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1)c1ccc(N(C)C)cc1 ZINC000182978912 822403518 /nfs/dbraw/zinc/40/35/18/822403518.db2.gz KCUHYIWVOABILF-IIBYNOLFSA-N 0 0 392.507 4.107 20 10 GICDRN CCN(C)c1ccc([C@H](C)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000182984502 822404980 /nfs/dbraw/zinc/40/49/80/822404980.db2.gz NHZQXEWHILWPHV-DLBZAZTESA-N 0 0 392.507 4.107 20 10 GICDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000178729126 822405900 /nfs/dbraw/zinc/40/59/00/822405900.db2.gz ATGXLJDDEDJBFW-NZQKXSOJSA-N 0 0 393.531 4.254 20 10 GICDRN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000183017848 822411940 /nfs/dbraw/zinc/41/19/40/822411940.db2.gz SBRAAWSVAVGVHX-IBGZPJMESA-N 0 0 392.547 4.176 20 10 GICDRN COc1cc2c(cc1NCC(=O)NCCOc1ccccc1)oc1ccccc12 ZINC000045873760 822420549 /nfs/dbraw/zinc/42/05/49/822420549.db2.gz OLHXNXHRKCWFGP-UHFFFAOYSA-N 0 0 390.439 4.202 20 10 GICDRN Cc1cnc([C@H](C)CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)s1 ZINC000183191258 822438902 /nfs/dbraw/zinc/43/89/02/822438902.db2.gz CCWOGNBVSAKALI-MRXNPFEDSA-N 0 0 386.565 4.387 20 10 GICDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1COCc1ccccc1 ZINC000046150438 822444458 /nfs/dbraw/zinc/44/44/58/822444458.db2.gz HNGIFQDHDWVDEE-UHFFFAOYSA-N 0 0 390.483 4.451 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@H](C)c3nccs3)c2C)cc1 ZINC000183337513 822460714 /nfs/dbraw/zinc/46/07/14/822460714.db2.gz BIPRWFIIWFYTTE-AWEZNQCLSA-N 0 0 383.517 4.435 20 10 GICDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1scnc1C1CCCC1 ZINC000183415188 822471189 /nfs/dbraw/zinc/47/11/89/822471189.db2.gz LUQIMNZFTRAEIX-UHFFFAOYSA-N 0 0 387.574 4.284 20 10 GICDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000183451924 822477032 /nfs/dbraw/zinc/47/70/32/822477032.db2.gz LHOMGFFMQLUKDE-OLZOCXBDSA-N 0 0 381.394 4.358 20 10 GICDRN COc1ccc(O)c(CNC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000183471452 822480276 /nfs/dbraw/zinc/48/02/76/822480276.db2.gz IZVVADGJKSVFFF-UHFFFAOYSA-N 0 0 380.391 4.178 20 10 GICDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@H](C)c1ccccc1 ZINC000183475469 822481444 /nfs/dbraw/zinc/48/14/44/822481444.db2.gz BIEZDOVYFNHUQZ-DOTOQJQBSA-N 0 0 392.499 4.486 20 10 GICDRN COc1ccc(N2CCCN(Cc3sc(C)nc3C(F)(F)F)CC2)cc1 ZINC000183571523 822496260 /nfs/dbraw/zinc/49/62/60/822496260.db2.gz RANMCBLPULSLDP-UHFFFAOYSA-N 0 0 385.455 4.191 20 10 GICDRN COCCN(Cc1sc(C)nc1C(F)(F)F)c1ccc(OC)c(OC)c1 ZINC000183613281 822501463 /nfs/dbraw/zinc/50/14/63/822501463.db2.gz FCQCSORNSORFCG-UHFFFAOYSA-N 0 0 390.427 4.141 20 10 GICDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000047141389 822548117 /nfs/dbraw/zinc/54/81/17/822548117.db2.gz TYPLUZAWXAZECW-KRWDZBQOSA-N 0 0 396.535 4.079 20 10 GICDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)ccc1Cl ZINC000047293739 822562824 /nfs/dbraw/zinc/56/28/24/822562824.db2.gz ZJFKOWGCVFFBLS-UHFFFAOYSA-N 0 0 397.277 4.024 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000184032161 822567836 /nfs/dbraw/zinc/56/78/36/822567836.db2.gz OJHCGHRQPKQHIV-UNMCSNQZSA-N 0 0 381.520 4.252 20 10 GICDRN COc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c(OC)c1 ZINC000047338489 822568529 /nfs/dbraw/zinc/56/85/29/822568529.db2.gz NSGUEPDZKDXDJF-UHFFFAOYSA-N 0 0 382.416 4.237 20 10 GICDRN COC(=O)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000047523769 822587138 /nfs/dbraw/zinc/58/71/38/822587138.db2.gz IAYYDKGRUIWQAC-UHFFFAOYSA-N 0 0 380.400 4.006 20 10 GICDRN COc1cc(O)c(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OC ZINC000180025247 822599662 /nfs/dbraw/zinc/59/96/62/822599662.db2.gz YVZILAIAHUBYPW-QGZVFWFLSA-N 0 0 395.459 4.187 20 10 GICDRN Cc1cc(-c2csc(NC(=O)c3cnns3)n2)c(C)n1-c1ccc(F)cc1 ZINC000047828629 822613208 /nfs/dbraw/zinc/61/32/08/822613208.db2.gz FMZQBJVFQSKQEC-UHFFFAOYSA-N 0 0 399.476 4.461 20 10 GICDRN CC1CCN(c2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)CC1 ZINC000180186801 822635223 /nfs/dbraw/zinc/63/52/23/822635223.db2.gz FZHBMUBQYDCFPH-UHFFFAOYSA-N 0 0 377.410 4.267 20 10 GICDRN COc1cc(F)cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000180554928 822701383 /nfs/dbraw/zinc/70/13/83/822701383.db2.gz UANPJKYYAQCBOG-UHFFFAOYSA-N 0 0 385.483 4.166 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(SCc2cccnc2)cc1 ZINC000180613867 822712697 /nfs/dbraw/zinc/71/26/97/822712697.db2.gz ZPRANNGSORULGW-ONNFQVAWSA-N 0 0 378.453 4.437 20 10 GICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000180616832 822713258 /nfs/dbraw/zinc/71/32/58/822713258.db2.gz UJQQAVDGFHVVGH-VQHVLOKHSA-N 0 0 380.425 4.064 20 10 GICDRN CSc1cccc(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000184974862 822720336 /nfs/dbraw/zinc/72/03/36/822720336.db2.gz GTWGBDVVXJEHOW-UHFFFAOYSA-N 0 0 385.533 4.217 20 10 GICDRN CCOCc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1OC ZINC000050234343 822722026 /nfs/dbraw/zinc/72/20/26/822722026.db2.gz BMLOHTIYCDFMBB-YVLHZVERSA-N 0 0 386.498 4.033 20 10 GICDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c1O ZINC000174342193 822775051 /nfs/dbraw/zinc/77/50/51/822775051.db2.gz RDVNSQZBJNHAMO-HNNXBMFYSA-N 0 0 377.444 4.023 20 10 GICDRN Cc1csc(=O)n1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000051971022 822783840 /nfs/dbraw/zinc/78/38/40/822783840.db2.gz NFZFIHJZXAJXEV-UHFFFAOYSA-N 0 0 399.463 4.436 20 10 GICDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174515711 822799732 /nfs/dbraw/zinc/79/97/32/822799732.db2.gz STWIZQMFXFDAQE-UHFFFAOYSA-N 0 0 394.349 4.128 20 10 GICDRN Cc1cc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)n1-c1ccc(C#N)cc1 ZINC000185908693 822832343 /nfs/dbraw/zinc/83/23/43/822832343.db2.gz XICIIIGZJQDRLG-UHFFFAOYSA-N 0 0 399.454 4.195 20 10 GICDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H](C)c2cccnc2)cc1 ZINC000174766903 822834344 /nfs/dbraw/zinc/83/43/44/822834344.db2.gz IMMITASVHIFTCM-SFHVURJKSA-N 0 0 389.499 4.493 20 10 GICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000185956928 822837109 /nfs/dbraw/zinc/83/71/09/822837109.db2.gz IIJRZHNMCPMTGC-UHFFFAOYSA-N 0 0 395.547 4.246 20 10 GICDRN COCCN(Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(OC)c(OC)c1 ZINC000174799379 822838816 /nfs/dbraw/zinc/83/88/16/822838816.db2.gz WWYIJFULGXLURH-UHFFFAOYSA-N 0 0 386.423 4.151 20 10 GICDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cccs2)c1 ZINC000186420188 822891680 /nfs/dbraw/zinc/89/16/80/822891680.db2.gz AQENOKNNJNFLOE-AWEZNQCLSA-N 0 0 383.469 4.099 20 10 GICDRN Cc1cc(C(=O)Cn2ccnc2[C@H](O)c2ccco2)c(C)n1-c1ccccc1C ZINC000186814702 822959913 /nfs/dbraw/zinc/95/99/13/822959913.db2.gz BRRFQFSEMZRDMR-JOCHJYFZSA-N 0 0 389.455 4.157 20 10 GICDRN COc1ccc(N2CCC(NC(=O)NCc3cccc(CSC)c3)CC2)cc1 ZINC000186921014 822980454 /nfs/dbraw/zinc/98/04/54/822980454.db2.gz ODVRQSCEXAITPM-UHFFFAOYSA-N 0 0 399.560 4.026 20 10 GICDRN CCN(CC)c1ccc(CNC(=O)NC(C)(C)c2ncc(C)s2)cc1F ZINC000175520726 822990040 /nfs/dbraw/zinc/99/00/40/822990040.db2.gz RDAQKDJKYNWRNU-UHFFFAOYSA-N 0 0 378.517 4.171 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)c2C)cc1 ZINC000123817111 823542895 /nfs/dbraw/zinc/54/28/95/823542895.db2.gz URWGTZKXDHBRCR-AOMKIAJQSA-N 0 0 392.503 4.023 20 10 GICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1sccc1Br ZINC000060591772 823545727 /nfs/dbraw/zinc/54/57/27/823545727.db2.gz BUIVZQFRYJZOLU-UHFFFAOYSA-N 0 0 396.354 4.308 20 10 GICDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc2ccccc2c1 ZINC000123991512 823558447 /nfs/dbraw/zinc/55/84/47/823558447.db2.gz NGXSDFLARZGJLI-UHFFFAOYSA-N 0 0 393.462 4.262 20 10 GICDRN CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000124054850 823563630 /nfs/dbraw/zinc/56/36/30/823563630.db2.gz ZFUNCCRJCHPQGK-UHFFFAOYSA-N 0 0 396.399 4.135 20 10 GICDRN COc1ccc(-n2c(C)cc(C(=O)Nc3ccn(CC(F)(F)F)n3)c2C)cc1 ZINC000124129848 823570115 /nfs/dbraw/zinc/57/01/15/823570115.db2.gz WBAQIUKLBPESFO-UHFFFAOYSA-N 0 0 392.381 4.114 20 10 GICDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2scnc2C2CC2)cc1 ZINC000124133829 823570545 /nfs/dbraw/zinc/57/05/45/823570545.db2.gz LXVYPNLWVHKUMV-UHFFFAOYSA-N 0 0 383.439 4.291 20 10 GICDRN CCC(C)(C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000190898947 823621566 /nfs/dbraw/zinc/62/15/66/823621566.db2.gz FHDKFJBMAQUUMZ-KAMYIIQDSA-N 0 0 396.603 4.282 20 10 GICDRN Cn1cc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000062040683 823622359 /nfs/dbraw/zinc/62/23/59/823622359.db2.gz RHFHEZUHZFZSSP-UHFFFAOYSA-N 0 0 394.430 4.135 20 10 GICDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(C(F)(F)F)cc1 ZINC000124784221 823625913 /nfs/dbraw/zinc/62/59/13/823625913.db2.gz HRZOEJFMABQZEY-UHFFFAOYSA-N 0 0 375.394 4.081 20 10 GICDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000190965755 823631616 /nfs/dbraw/zinc/63/16/16/823631616.db2.gz PUVYBFHJVCVSAN-MRXNPFEDSA-N 0 0 383.492 4.087 20 10 GICDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000125086300 823650832 /nfs/dbraw/zinc/65/08/32/823650832.db2.gz GAFKESQDWOQOMU-HNNXBMFYSA-N 0 0 387.430 4.225 20 10 GICDRN COc1cc(Cl)cc(CN[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000191532421 823696554 /nfs/dbraw/zinc/69/65/54/823696554.db2.gz BKGHSFHITYHKGN-JTQLQIEISA-N 0 0 377.803 4.094 20 10 GICDRN CCN(CCc1nccs1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000163418699 823707766 /nfs/dbraw/zinc/70/77/66/823707766.db2.gz OANGEXGKHLXRGR-UHFFFAOYSA-N 0 0 386.565 4.154 20 10 GICDRN c1cc(NCc2ccc(N3CCCCC3)cc2)ccc1Cc1nnc2n1CCC2 ZINC000191652585 823724616 /nfs/dbraw/zinc/72/46/16/823724616.db2.gz SOQWFQYKSDYQLN-UHFFFAOYSA-N 0 0 387.531 4.418 20 10 GICDRN Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)cc1F ZINC000164082039 823776309 /nfs/dbraw/zinc/77/63/09/823776309.db2.gz YXYORRAJASOYMA-UHFFFAOYSA-N 0 0 378.900 4.271 20 10 GICDRN CSc1ccc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cc1 ZINC000164310721 823794991 /nfs/dbraw/zinc/79/49/91/823794991.db2.gz LFDQXGPUYXAXOY-UHFFFAOYSA-N 0 0 398.528 4.414 20 10 GICDRN CCOC(=O)C(=C(O)CSc1ncc(C(C)(C)C)s1)c1nc(C)cs1 ZINC000164366910 823798119 /nfs/dbraw/zinc/79/81/19/823798119.db2.gz VWTUFBCGRAAJDT-ZDUSSCGKSA-N 0 0 398.575 4.214 20 10 GICDRN CCOC(=O)C(=C(O)CSc1ncc(C(C)(C)C)s1)c1nc(C)cs1 ZINC000164366788 823798406 /nfs/dbraw/zinc/79/84/06/823798406.db2.gz VWTUFBCGRAAJDT-CYBMUJFWSA-N 0 0 398.575 4.214 20 10 GICDRN O=C1/C(=C\c2ccc(F)c3cccnc23)SC(=S)N1CCc1ccccn1 ZINC000164680956 823815588 /nfs/dbraw/zinc/81/55/88/823815588.db2.gz LZMOGRIXPWEYBG-SFQUDFHCSA-N 0 0 395.484 4.213 20 10 GICDRN COCCCOC1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000126697742 823930214 /nfs/dbraw/zinc/93/02/14/823930214.db2.gz NQXBWYOIYDEUKX-UHFFFAOYSA-N 0 0 384.520 4.060 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3ccc4scnc4c3)CC2)cc1 ZINC000170668754 823931153 /nfs/dbraw/zinc/93/11/53/823931153.db2.gz QJELEBUASIKCMT-UHFFFAOYSA-N 0 0 382.489 4.095 20 10 GICDRN COc1ccc(N2CCC(NC(=O)Nc3cccc(C(F)F)c3)CC2)cc1 ZINC000170668830 823931276 /nfs/dbraw/zinc/93/12/76/823931276.db2.gz RPBGLLVKZHLMBI-UHFFFAOYSA-N 0 0 375.419 4.423 20 10 GICDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(Br)cc2F)c1 ZINC000170903273 824003208 /nfs/dbraw/zinc/00/32/08/824003208.db2.gz KPVDBERPMPFSRE-VIFPVBQESA-N 0 0 383.217 4.185 20 10 GICDRN COc1ccc(OC)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 ZINC000027229403 570971262 /nfs/dbraw/zinc/97/12/62/570971262.db2.gz OWVOFHKAIYQTAW-QGOAFFKASA-N 0 0 385.510 4.148 20 10 GICDRN