smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC000160554399 332822234 /nfs/dbraw/zinc/82/22/34/332822234.db2.gz QFXOMULNSFQLTF-PXAZEXFGSA-N 0 0 324.392 4.592 20 70 DJIDRN CC[C@H](C(=O)Nc1cc(OC)ccc1Cl)c1ccc(F)cc1 ZINC000159382669 332082203 /nfs/dbraw/zinc/08/22/03/332082203.db2.gz RXPNCEKEMNMSSN-AWEZNQCLSA-N 0 0 321.779 4.620 20 70 DJIDRN CN(C)c1c(Cl)cccc1NCc1csc(C(C)(C)C)n1 ZINC000161459591 332675706 /nfs/dbraw/zinc/67/57/06/332675706.db2.gz OBYBEFXSCVFBEC-UHFFFAOYSA-N 0 0 323.893 4.772 20 70 DJIDRN C[C@H](NCc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 ZINC000159893764 332724067 /nfs/dbraw/zinc/72/40/67/332724067.db2.gz ZBNGQAXDEXHIJS-JTQLQIEISA-N 0 0 314.738 4.605 20 70 DJIDRN CCCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000160739655 333483624 /nfs/dbraw/zinc/48/36/24/333483624.db2.gz QLGDNAMWGXOBCV-YJBOKZPZSA-N 0 0 316.445 4.580 20 70 DJIDRN Cc1ccc(-c2cncc(C(=O)N(C3CC3)C3CCCC3)c2)cc1 ZINC000160993789 333776758 /nfs/dbraw/zinc/77/67/58/333776758.db2.gz JXRBUGHFXWUTII-UHFFFAOYSA-N 0 0 320.436 4.604 20 70 DJIDRN Cc1ccsc1CCCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000160049005 338540109 /nfs/dbraw/zinc/54/01/09/338540109.db2.gz OJPQYESSMIRXFF-OAHLLOKOSA-N 0 0 301.455 4.599 20 70 DJIDRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc2[nH]ccc2c1 ZINC000160053848 524234694 /nfs/dbraw/zinc/23/46/94/524234694.db2.gz WYRMRIWGIDBCAB-UHFFFAOYSA-N 0 0 322.408 4.617 20 70 DJIDRN Cc1ccccc1[C@@H](C)Nc1cccc(CN2CCCCC2=O)c1 ZINC000159361801 525361417 /nfs/dbraw/zinc/36/14/17/525361417.db2.gz PKWQYSIJVKJTJN-QGZVFWFLSA-N 0 0 322.452 4.681 20 70 DJIDRN C[C@H](N[C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1 ZINC000159369480 525543583 /nfs/dbraw/zinc/54/35/83/525543583.db2.gz RJGCBJUXSDQEEE-SJCJKPOMSA-N 0 0 304.384 4.798 20 70 DJIDRN C[C@H](N[C@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1 ZINC000159369753 525598584 /nfs/dbraw/zinc/59/85/84/525598584.db2.gz RJGCBJUXSDQEEE-YVEFUNNKSA-N 0 0 304.384 4.798 20 70 DJIDRN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ncc(C(C)(C)C)o1 ZINC000159487542 525611181 /nfs/dbraw/zinc/61/11/81/525611181.db2.gz VJJHKGXMKVDENQ-WDEREUQCSA-N 0 0 308.372 4.662 20 70 DJIDRN Cc1ccccc1NC(=O)Nc1ccc(Br)cc1C ZINC000217310847 331571515 /nfs/dbraw/zinc/57/15/15/331571515.db2.gz MSBDUEKZOGRQPL-UHFFFAOYSA-N 0 0 319.202 4.710 20 70 DJIDRN CCc1noc(C)c1CNc1cccc(Cl)c1OC(C)C ZINC000159456469 332132944 /nfs/dbraw/zinc/13/29/44/332132944.db2.gz UQXLNLHEAHYTFZ-UHFFFAOYSA-N 0 0 308.809 4.598 20 70 DJIDRN CCc1noc(C)c1CSCc1csc(-c2ccco2)n1 ZINC000159692613 332691525 /nfs/dbraw/zinc/69/15/25/332691525.db2.gz SGVUYOXCLHRCDO-UHFFFAOYSA-N 0 0 320.439 4.695 20 70 DJIDRN C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000159892737 332724133 /nfs/dbraw/zinc/72/41/33/332724133.db2.gz YOIXZPUUEYUSKV-CJNGLKHVSA-N 0 0 317.816 4.681 20 70 DJIDRN CCc1cccc(CC)c1NC(=O)CCc1ccc(F)cc1F ZINC000160086574 332758196 /nfs/dbraw/zinc/75/81/96/332758196.db2.gz ODVUBXOEUGRSDO-UHFFFAOYSA-N 0 0 317.379 4.661 20 70 DJIDRN Cc1ccc(C)c([C@H](C)NCc2nnc(-c3ccccc3)s2)c1 ZINC000160733999 333482915 /nfs/dbraw/zinc/48/29/15/333482915.db2.gz KECULITWECZHPI-HNNXBMFYSA-N 0 0 323.465 4.673 20 70 DJIDRN CCS[C@H](C)c1noc(CS[C@H](C)c2ccccc2)n1 ZINC000161105084 333813946 /nfs/dbraw/zinc/81/39/46/333813946.db2.gz FFOMZRJEFOKCDO-VXGBXAGGSA-N 0 0 308.472 4.878 20 70 DJIDRN c1ccc([C@H]2C[C@H](Nc3nc4ccccc4s3)CCO2)cc1 ZINC000160531265 334875741 /nfs/dbraw/zinc/87/57/41/334875741.db2.gz WXMAOXCIVWBSLJ-GDBMZVCRSA-N 0 0 310.422 4.629 20 70 DJIDRN CCO[C@H](C)c1nccn1CCCOc1ccc2ccccc2c1 ZINC000161490599 337588445 /nfs/dbraw/zinc/58/84/45/337588445.db2.gz LKFTXVKEWVPPON-MRXNPFEDSA-N 0 0 324.424 4.603 20 70 DJIDRN C[C@@H]1CCc2ccccc2N1Cc1csc(-c2ccccn2)n1 ZINC000218057224 337924956 /nfs/dbraw/zinc/92/49/56/337924956.db2.gz WFUHRWKOLLFIFL-CQSZACIVSA-N 0 0 321.449 4.546 20 70 DJIDRN Cc1ccsc1CCCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000160140025 338543114 /nfs/dbraw/zinc/54/31/14/338543114.db2.gz RXPNHAUQCKDTLD-AWEZNQCLSA-N 0 0 319.445 4.738 20 70 DJIDRN CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000160356458 338547859 /nfs/dbraw/zinc/54/78/59/338547859.db2.gz BKCCJGJZHJZZEJ-VXGBXAGGSA-N 0 0 303.452 4.521 20 70 DJIDRN CCCOc1ccccc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000160394748 338549279 /nfs/dbraw/zinc/54/92/79/338549279.db2.gz AWFBIWXWIGLTOY-KBPBESRZSA-N 0 0 315.438 4.588 20 70 DJIDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCC1(C)C ZINC000216989707 340486163 /nfs/dbraw/zinc/48/61/63/340486163.db2.gz TVZFATFEJXMOED-LLVKDONJSA-N 0 0 314.256 4.573 20 70 DJIDRN CCc1nc([C@@H](C)N[C@H](CC)c2ccc(F)cc2F)cs1 ZINC000160905428 522427284 /nfs/dbraw/zinc/42/72/84/522427284.db2.gz YCHJCPRDCGEMGG-QMTHXVAHSA-N 0 0 310.413 4.786 20 70 DJIDRN CCc1noc(C)c1CNc1ccc(CCC(F)(F)F)cc1 ZINC000159479832 522848155 /nfs/dbraw/zinc/84/81/55/522848155.db2.gz FMJKYRZTGHULGB-UHFFFAOYSA-N 0 0 312.335 4.652 20 70 DJIDRN Cc1cc(N[C@H](C)c2cccnc2)ccc1OCC(F)(F)F ZINC000160957907 525301053 /nfs/dbraw/zinc/30/10/53/525301053.db2.gz YYWPQGIXXZMBGV-GFCCVEGCSA-N 0 0 310.319 4.504 20 70 DJIDRN Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1ccc(C(C)C)cc1 ZINC000159762206 526566979 /nfs/dbraw/zinc/56/69/79/526566979.db2.gz ZUISCIHUQCXSSU-CYBMUJFWSA-N 0 0 314.429 4.571 20 70 DJIDRN Cc1noc(C)c1CCSCc1ccccc1OC(C)C ZINC000160131929 332764022 /nfs/dbraw/zinc/76/40/22/332764022.db2.gz ANPNWEUKNAQRFS-UHFFFAOYSA-N 0 0 305.443 4.555 20 70 DJIDRN Cc1ccc(Cl)cc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000217308520 331566633 /nfs/dbraw/zinc/56/66/33/331566633.db2.gz FCSCHNTZXRGIBC-UHFFFAOYSA-N 0 0 323.223 4.666 20 70 DJIDRN Cc1ccc(CN(Cc2cccs2)Cc2cccs2)nc1 ZINC000159520014 332652817 /nfs/dbraw/zinc/65/28/17/332652817.db2.gz FMKPGMQCFGLMEC-UHFFFAOYSA-N 0 0 314.479 4.715 20 70 DJIDRN Fc1c(Cl)cccc1CNc1ccccc1N1CCCC1 ZINC000161375531 332669935 /nfs/dbraw/zinc/66/99/35/332669935.db2.gz LILZNLLVHPGDDF-UHFFFAOYSA-N 0 0 304.796 4.691 20 70 DJIDRN C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccccc1Cl ZINC000159947757 332732988 /nfs/dbraw/zinc/73/29/88/332732988.db2.gz MNINKUPTKRAAKO-KBPBESRZSA-N 0 0 317.816 4.681 20 70 DJIDRN CC[C@H](Nc1cc(NC(C)=O)ccc1C)c1ccc(F)cc1F ZINC000160749845 333488985 /nfs/dbraw/zinc/48/89/85/333488985.db2.gz QYPMMZXXEZTBNK-KRWDZBQOSA-N 0 0 318.367 4.795 20 70 DJIDRN CO[C@H](C)c1cccc(NC(=O)c2ccc(Cl)cc2C)c1 ZINC000161158399 333821565 /nfs/dbraw/zinc/82/15/65/333821565.db2.gz KOXGOVZPBQUGDS-GFCCVEGCSA-N 0 0 303.789 4.608 20 70 DJIDRN c1ccc([C@@H]2C[C@H](Nc3nc4ccccc4s3)CCO2)cc1 ZINC000160531178 334875569 /nfs/dbraw/zinc/87/55/69/334875569.db2.gz WXMAOXCIVWBSLJ-ZBFHGGJFSA-N 0 0 310.422 4.629 20 70 DJIDRN CCC[C@@H](NC(=O)c1cc2ccccc2nc1C)c1ccccc1 ZINC000217468322 337316907 /nfs/dbraw/zinc/31/69/07/337316907.db2.gz NUURTRCENMTLBH-LJQANCHMSA-N 0 0 318.420 4.814 20 70 DJIDRN Cc1nc2ccccc2cc1C(=O)N1c2ccccc2CC[C@H]1C ZINC000217521540 337317852 /nfs/dbraw/zinc/31/78/52/337317852.db2.gz VRZADEWREDFIAD-CQSZACIVSA-N 0 0 316.404 4.525 20 70 DJIDRN Cc1cc(C(=O)Nc2ccc(Cl)cc2F)c(Cl)cc1F ZINC000161228770 337574180 /nfs/dbraw/zinc/57/41/80/337574180.db2.gz AQFAWNHASHWRJI-UHFFFAOYSA-N 0 0 316.134 4.832 20 70 DJIDRN Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)c(C)c1 ZINC000161410369 337584092 /nfs/dbraw/zinc/58/40/92/337584092.db2.gz YMSHKCQBOGQAFC-UHFFFAOYSA-N 0 0 308.406 4.679 20 70 DJIDRN Cc1cc(Cl)c(NC(=O)N2CCC(C)CC2)cc1Cl ZINC000159406168 338525204 /nfs/dbraw/zinc/52/52/04/338525204.db2.gz ASORIOAYESMXQO-UHFFFAOYSA-N 0 0 301.217 4.566 20 70 DJIDRN CSc1ccc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1 ZINC000159967630 338537039 /nfs/dbraw/zinc/53/70/39/338537039.db2.gz POKBSQWNVUNIFV-KBPBESRZSA-N 0 0 303.452 4.521 20 70 DJIDRN COc1cc(N[C@@H]2C[C@H](C)Sc3sccc32)ccc1F ZINC000160106068 338542119 /nfs/dbraw/zinc/54/21/19/338542119.db2.gz SJGLORSIWGWVMX-TVQRCGJNSA-N 0 0 309.431 4.933 20 70 DJIDRN Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000160261689 338546415 /nfs/dbraw/zinc/54/64/15/338546415.db2.gz VZLPYCPRQKGQMQ-UHFFFAOYSA-N 0 0 312.413 4.595 20 70 DJIDRN CCc1noc(C)c1CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000159481888 522849095 /nfs/dbraw/zinc/84/90/95/522849095.db2.gz LJHPNAAIWGUQDJ-HXUWFJFHSA-N 0 0 324.399 4.564 20 70 DJIDRN Cc1cccc(CCNC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000217302759 331565951 /nfs/dbraw/zinc/56/59/51/331565951.db2.gz KSPRHNOHMFDIFI-UHFFFAOYSA-N 0 0 323.223 4.666 20 70 DJIDRN CC[C@@H](C(=O)Nc1cccc([C@H](C)OC)c1)c1ccc(F)cc1 ZINC000159665372 332687816 /nfs/dbraw/zinc/68/78/16/332687816.db2.gz QOEGINQBXZQEQP-SCLBCKFNSA-N 0 0 315.388 4.665 20 70 DJIDRN Cc1cccc([C@@H](NC(=O)CCC2CCCC2)c2ccccn2)c1 ZINC000159743228 332699270 /nfs/dbraw/zinc/69/92/70/332699270.db2.gz DFMWLEOTCIDSJF-OAQYLSRUSA-N 0 0 322.452 4.566 20 70 DJIDRN CCc1noc(C)c1CSCc1cccc(OC(F)F)c1 ZINC000159759276 332701339 /nfs/dbraw/zinc/70/13/39/332701339.db2.gz PNCINOZMXABIKR-UHFFFAOYSA-N 0 0 313.369 4.580 20 70 DJIDRN c1ccc([C@@H]2C[C@H](Nc3ccc4ccccc4n3)CCO2)cc1 ZINC000160602806 334877463 /nfs/dbraw/zinc/87/74/63/334877463.db2.gz RVLIMJJOICDWTP-MJGOQNOKSA-N 0 0 304.393 4.567 20 70 DJIDRN CC[C@@H](N[C@H](CC)c1ccc(F)cc1F)c1nc(C)cs1 ZINC000160890405 333680329 /nfs/dbraw/zinc/68/03/29/333680329.db2.gz VKUPSYDZNFTHDO-HUUCEWRRSA-N 0 0 310.413 4.922 20 70 DJIDRN CC[C@@H](N[C@@H](CC)c1ccc(F)cc1F)c1nc(C)cs1 ZINC000160890279 333680354 /nfs/dbraw/zinc/68/03/54/333680354.db2.gz VKUPSYDZNFTHDO-LSDHHAIUSA-N 0 0 310.413 4.922 20 70 DJIDRN C[C@H]1CCN(C(=O)c2cc(F)cc3cccnc32)c2ccccc21 ZINC000160947153 333693952 /nfs/dbraw/zinc/69/39/52/333693952.db2.gz YPMRTYBEVYDFHL-ZDUSSCGKSA-N 0 0 320.367 4.528 20 70 DJIDRN Cc1cc(C(=O)Nc2ccccc2CCC(F)(F)F)oc1C ZINC000161157726 333821265 /nfs/dbraw/zinc/82/12/65/333821265.db2.gz NWAKCNTZQPDJRT-UHFFFAOYSA-N 0 0 311.303 4.644 20 70 DJIDRN Cc1ccc(C)n1-c1sccc1C(=O)N(C)C1CCCCC1 ZINC000216677583 336280953 /nfs/dbraw/zinc/28/09/53/336280953.db2.gz NHGVYMNQBYNSNJ-UHFFFAOYSA-N 0 0 316.470 4.560 20 70 DJIDRN COc1ccc([C@H](NCc2c(F)cccc2Cl)C2CC2)cc1 ZINC000217024590 337241382 /nfs/dbraw/zinc/24/13/82/337241382.db2.gz ALNKSVMSJYSNNN-GOSISDBHSA-N 0 0 319.807 4.729 20 70 DJIDRN CCOc1ccccc1NC(=O)Nc1c(F)cccc1Cl ZINC000217313276 337305481 /nfs/dbraw/zinc/30/54/81/337305481.db2.gz LAQVZCOPDGHFJD-UHFFFAOYSA-N 0 0 308.740 4.522 20 70 DJIDRN CC(C)c1ccc(NCc2cccc(C(N)=O)c2)c(C(C)C)c1 ZINC000216829954 340485779 /nfs/dbraw/zinc/48/57/79/340485779.db2.gz VARWKBOOJSSXPD-UHFFFAOYSA-N 0 0 310.441 4.644 20 70 DJIDRN CC(C)(CC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000217197559 340487137 /nfs/dbraw/zinc/48/71/37/340487137.db2.gz ROZTUBXQSJOJPW-NRFANRHFSA-N 0 0 311.469 4.703 20 70 DJIDRN CCOC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000217826843 340490534 /nfs/dbraw/zinc/49/05/34/340490534.db2.gz AMZQFSWPVREDJS-OAHLLOKOSA-N 0 0 306.814 4.737 20 70 DJIDRN Cc1ccc(CCNC(=O)Nc2cccc3ccccc32)cc1 ZINC000217301167 340712452 /nfs/dbraw/zinc/71/24/52/340712452.db2.gz PEULNOWUAVEOPR-UHFFFAOYSA-N 0 0 304.393 4.512 20 70 DJIDRN CC(C)(C)[C@H]1CCCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000217218672 517390158 /nfs/dbraw/zinc/39/01/58/517390158.db2.gz GBZABPRIUYJJOW-HNNXBMFYSA-N 0 0 310.441 4.523 20 70 DJIDRN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1ccc(COC)o1 ZINC000161448394 520309644 /nfs/dbraw/zinc/30/96/44/520309644.db2.gz WLXAGAAKCGZCCB-RDJZCZTQSA-N 0 0 321.461 4.696 20 70 DJIDRN COCCCCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000160340907 523090207 /nfs/dbraw/zinc/09/02/07/523090207.db2.gz ODUZGAHRXNPGKL-LJQANCHMSA-N 0 0 317.473 4.680 20 70 DJIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000160231646 525892724 /nfs/dbraw/zinc/89/27/24/525892724.db2.gz FVNXGQLIFFHDTO-YESZJQIVSA-N 0 0 311.450 4.524 20 70 DJIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000160231917 525896064 /nfs/dbraw/zinc/89/60/64/525896064.db2.gz FVNXGQLIFFHDTO-GVDBMIGSSA-N 0 0 311.450 4.524 20 70 DJIDRN C[C@H]1CCCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160521754 526243514 /nfs/dbraw/zinc/24/35/14/526243514.db2.gz WAFRSMLEKHVANO-HNNXBMFYSA-N 0 0 316.445 4.552 20 70 DJIDRN C[C@H](Sc1nncc2ccccc21)c1nc2ccccc2o1 ZINC000160265418 332782327 /nfs/dbraw/zinc/78/23/27/332782327.db2.gz HIVUBDMRQSWPTQ-NSHDSACASA-N 0 0 307.378 4.624 20 70 DJIDRN CC[C@H](c1ccccc1)[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160433915 332794506 /nfs/dbraw/zinc/79/45/06/332794506.db2.gz AKEXADGKXVMYKL-ZUOKHONESA-N 0 0 307.484 4.700 20 70 DJIDRN Fc1ccc2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000160569832 332825438 /nfs/dbraw/zinc/82/54/38/332825438.db2.gz RQONTVXEYLTMQT-IEBWSBKVSA-N 0 0 322.383 4.706 20 70 DJIDRN CCC[C@H](NCc1cc(C)no1)c1ccc(Cl)cc1Cl ZINC000159381311 332081505 /nfs/dbraw/zinc/08/15/05/332081505.db2.gz UOLJKVSYPNTDJZ-HNNXBMFYSA-N 0 0 313.228 4.921 20 70 DJIDRN CCCOc1cccc(NCc2noc(C3CCCCC3)n2)c1 ZINC000161232454 332667711 /nfs/dbraw/zinc/66/77/11/332667711.db2.gz AXSYNCXATVCLEJ-UHFFFAOYSA-N 0 0 315.417 4.518 20 70 DJIDRN Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000159748019 332699619 /nfs/dbraw/zinc/69/96/19/332699619.db2.gz AAAXXAQNOMUIMR-WMZOPIPTSA-N 0 0 314.473 4.660 20 70 DJIDRN CCc1noc(C)c1CSCc1ccc(SC)c(OC)c1 ZINC000159788306 332704829 /nfs/dbraw/zinc/70/48/29/332704829.db2.gz LZTNBFZJFPRNES-UHFFFAOYSA-N 0 0 323.483 4.709 20 70 DJIDRN C[C@@H](Oc1ccc(Cl)cc1F)c1nnc(-c2cccs2)o1 ZINC000160035468 332749052 /nfs/dbraw/zinc/74/90/52/332749052.db2.gz ZMGMRCPKKFGJLI-MRVPVSSYSA-N 0 0 324.764 4.731 20 70 DJIDRN CC(C)CC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCCC1 ZINC000160950134 333695487 /nfs/dbraw/zinc/69/54/87/333695487.db2.gz UUJVGNSOIKZPPM-QGZVFWFLSA-N 0 0 321.505 4.591 20 70 DJIDRN CCC[C@H](NC(=O)c1cc2ccccc2nc1C)c1ccccc1 ZINC000217468399 337316962 /nfs/dbraw/zinc/31/69/62/337316962.db2.gz NUURTRCENMTLBH-IBGZPJMESA-N 0 0 318.420 4.814 20 70 DJIDRN Cc1cc(C(=O)N(c2ccccc2F)C2CCCC2)oc1C ZINC000161295613 337579718 /nfs/dbraw/zinc/57/97/18/337579718.db2.gz WSJKQACUGACOSB-UHFFFAOYSA-N 0 0 301.361 4.625 20 70 DJIDRN COc1cc(N[C@H]2C[C@H](C)Sc3sccc32)ccc1F ZINC000160105925 338542117 /nfs/dbraw/zinc/54/21/17/338542117.db2.gz SJGLORSIWGWVMX-ZANVPECISA-N 0 0 309.431 4.933 20 70 DJIDRN CCCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000160394877 338549353 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Cc1ccc(-c2n[nH]cc2CNc2cc(C)ccc2Cl)o1 ZINC000218132367 340492221 /nfs/dbraw/zinc/49/22/21/340492221.db2.gz XUIBVNMPFGUWTQ-UHFFFAOYSA-N 0 0 301.777 4.552 20 70 DJIDRN Cc1ccc(CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000217307732 340712413 /nfs/dbraw/zinc/71/24/13/340712413.db2.gz UMZBAFZSXJWBQW-UHFFFAOYSA-N 0 0 323.223 4.666 20 70 DJIDRN CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000161448145 520310035 /nfs/dbraw/zinc/31/00/35/520310035.db2.gz WLXAGAAKCGZCCB-DOTOQJQBSA-N 0 0 321.461 4.696 20 70 DJIDRN CCc1noc(C)c1CS[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000160052478 522853267 /nfs/dbraw/zinc/85/32/67/522853267.db2.gz LLJDAMUSELYZQY-LLVKDONJSA-N 0 0 308.447 4.825 20 70 DJIDRN C[C@@H]1CCCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160521625 524092688 /nfs/dbraw/zinc/09/26/88/524092688.db2.gz WAFRSMLEKHVANO-OAHLLOKOSA-N 0 0 316.445 4.552 20 70 DJIDRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)C)cc1F ZINC000160520483 524242068 /nfs/dbraw/zinc/24/20/68/524242068.db2.gz ISFZLDVSFDIWOT-UHFFFAOYSA-N 0 0 314.404 4.576 20 70 DJIDRN Cc1ccc(CN(C(=O)C2CCC(F)(F)CC2)C(C)C)s1 ZINC000159814292 524352829 /nfs/dbraw/zinc/35/28/29/524352829.db2.gz LXBZJIPEHVWZHI-UHFFFAOYSA-N 0 0 315.429 4.619 20 70 DJIDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CC(F)(F)F)cc1 ZINC000160396523 332789376 /nfs/dbraw/zinc/78/93/76/332789376.db2.gz XEOXYORCIJLFIQ-OAHLLOKOSA-N 0 0 313.363 4.816 20 70 DJIDRN CC[C@@H](c1ccccc1)[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160433827 332794518 /nfs/dbraw/zinc/79/45/18/332794518.db2.gz AKEXADGKXVMYKL-RNODOKPDSA-N 0 0 307.484 4.700 20 70 DJIDRN Cc1cc2cc(NC(=O)[C@@H]3C[C@H]3c3sccc3C)ccc2[nH]1 ZINC000161249050 332668556 /nfs/dbraw/zinc/66/85/56/332668556.db2.gz BYXXYAZQIWJERQ-HUUCEWRRSA-N 0 0 310.422 4.588 20 70 DJIDRN C[C@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000159962552 332738676 /nfs/dbraw/zinc/73/86/76/332738676.db2.gz IMBYABCRFKPLSY-BBRMVZONSA-N 0 0 317.816 4.681 20 70 DJIDRN CO[C@H](C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000161125133 333816282 /nfs/dbraw/zinc/81/62/82/333816282.db2.gz YURQTJJXEJUUBT-FQEVSTJZSA-N 0 0 317.388 4.680 20 70 DJIDRN C[C@H]1CCc2ccccc2N1C(=O)c1csc2ccccc12 ZINC000217163425 337245316 /nfs/dbraw/zinc/24/53/16/337245316.db2.gz WBJBOSCZSWUDDG-ZDUSSCGKSA-N 0 0 307.418 4.883 20 70 DJIDRN CC(C)(C)NC(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000217114422 337912165 /nfs/dbraw/zinc/91/21/65/337912165.db2.gz KWVPDAZKCVVSSU-GOSISDBHSA-N 0 0 322.408 4.620 20 70 DJIDRN COc1cc(N[C@@H]2CCSc3c(F)cccc32)ccc1F ZINC000159958838 338536749 /nfs/dbraw/zinc/53/67/49/338536749.db2.gz AHTNISLJUVMVQW-CQSZACIVSA-N 0 0 307.365 4.622 20 70 DJIDRN Fc1cc(Cl)ccc1CNc1ccc(-c2cnco2)cc1 ZINC000160773476 338564492 /nfs/dbraw/zinc/56/44/92/338564492.db2.gz XMUUTGHDEJVQHP-UHFFFAOYSA-N 0 0 302.736 4.746 20 70 DJIDRN O=C(c1cc2ccccc2cc1O)N1CCC[C@@H]1c1ccccc1 ZINC000217853838 340490639 /nfs/dbraw/zinc/49/06/39/340490639.db2.gz MUEOPLXSLWOHHP-LJQANCHMSA-N 0 0 317.388 4.523 20 70 DJIDRN Cc1ccc(-c2ccsc2C(=O)Nc2ccnc(C)c2)cc1 ZINC000218590281 340496758 /nfs/dbraw/zinc/49/67/58/340496758.db2.gz GUQOBUTWMUPQKD-UHFFFAOYSA-N 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Cc1nc2c(s1)[C@H](N(C)C(=O)C1CCC(C)(C)CC1)CCC2 ZINC000160291640 332783178 /nfs/dbraw/zinc/78/31/78/332783178.db2.gz QGIUFONFVACRIH-OAHLLOKOSA-N 0 0 320.502 4.504 20 70 DJIDRN O=C(C1CCC(F)(F)CC1)N(Cc1ccccc1)CC1CCC1 ZINC000159810751 332707656 /nfs/dbraw/zinc/70/76/56/332707656.db2.gz HTKHTUHBNOYIIL-UHFFFAOYSA-N 0 0 321.411 4.641 20 70 DJIDRN Cc1ccc(-c2nnc([C@@H](C)Sc3ccncc3)o2)cc1C ZINC000159991389 332743951 /nfs/dbraw/zinc/74/39/51/332743951.db2.gz AEJANUDSDWSIHM-CYBMUJFWSA-N 0 0 311.410 4.602 20 70 DJIDRN Cc1cccc([C@H](NC(=O)C2CCCCCC2)c2ccccn2)c1 ZINC000160047767 332751226 /nfs/dbraw/zinc/75/12/26/332751226.db2.gz YRXMFOHPKFWJDG-FQEVSTJZSA-N 0 0 322.452 4.566 20 70 DJIDRN CC[C@@H](Nc1cc(NC(C)=O)ccc1C)c1ccc(F)cc1F ZINC000160749958 333488820 /nfs/dbraw/zinc/48/88/20/333488820.db2.gz QYPMMZXXEZTBNK-QGZVFWFLSA-N 0 0 318.367 4.795 20 70 DJIDRN Brc1ccc(CNc2ccccc2)c2ncccc12 ZINC000160303254 333513580 /nfs/dbraw/zinc/51/35/80/333513580.db2.gz KWMUKWGKFAXKCL-UHFFFAOYSA-N 0 0 313.198 4.609 20 70 DJIDRN CCN(Cc1ccccc1)C(=O)Nc1c(F)cccc1Cl ZINC000217313177 337305666 /nfs/dbraw/zinc/30/56/66/337305666.db2.gz LBMNEVGPABMPKS-UHFFFAOYSA-N 0 0 306.768 4.533 20 70 DJIDRN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C1CC=CC1 ZINC000161461135 337585992 /nfs/dbraw/zinc/58/59/92/337585992.db2.gz ICNGTJLJQVOTBL-UHFFFAOYSA-N 0 0 315.319 4.662 20 70 DJIDRN Clc1cc(Br)ccc1CSC1CCOCC1 ZINC000159970502 338536465 /nfs/dbraw/zinc/53/64/65/338536465.db2.gz ZWEQVUKUGBEXIG-UHFFFAOYSA-N 0 0 321.667 4.515 20 70 DJIDRN Fc1cc(Cl)cc(CNc2cccc(-c3cnco3)c2)c1 ZINC000160900674 338569905 /nfs/dbraw/zinc/56/99/05/338569905.db2.gz BYBHXIMGPMATJK-UHFFFAOYSA-N 0 0 302.736 4.746 20 70 DJIDRN COc1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000217267983 340712426 /nfs/dbraw/zinc/71/24/26/340712426.db2.gz ABWKOEPBFNLRLX-UHFFFAOYSA-N 0 0 311.168 4.646 20 70 DJIDRN C[C@@H](N[C@@H](c1ccc(F)cc1F)C(C)(C)C)c1ccccn1 ZINC000159369618 525628555 /nfs/dbraw/zinc/62/85/55/525628555.db2.gz RJGCBJUXSDQEEE-PXAZEXFGSA-N 0 0 304.384 4.798 20 70 DJIDRN CC[C@@H](c1ccccc1)[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160433630 332794530 /nfs/dbraw/zinc/79/45/30/332794530.db2.gz AKEXADGKXVMYKL-RBZFPXEDSA-N 0 0 307.484 4.700 20 70 DJIDRN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(F)cc1F ZINC000160521741 332815212 /nfs/dbraw/zinc/81/52/12/332815212.db2.gz GTKRTTFIUTVTDR-UHFFFAOYSA-N 0 0 317.379 4.968 20 70 DJIDRN CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000217312842 331572853 /nfs/dbraw/zinc/57/28/53/331572853.db2.gz CGZKNGLHDTXRIB-UHFFFAOYSA-N 0 0 300.324 4.502 20 70 DJIDRN CCC[C@@H](NCc1cc(C)no1)c1ccc(Cl)cc1Cl ZINC000159381443 332081677 /nfs/dbraw/zinc/08/16/77/332081677.db2.gz UOLJKVSYPNTDJZ-OAHLLOKOSA-N 0 0 313.228 4.921 20 70 DJIDRN Cc1ccc(CNc2ccc(NC(=O)OC(C)(C)C)cc2)o1 ZINC000159405329 332091090 /nfs/dbraw/zinc/09/10/90/332091090.db2.gz OPKLEBCSKOEERS-UHFFFAOYSA-N 0 0 302.374 4.547 20 70 DJIDRN C[C@@H](Nc1ccccc1O[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000159962685 332738668 /nfs/dbraw/zinc/73/86/68/332738668.db2.gz IMBYABCRFKPLSY-CJNGLKHVSA-N 0 0 317.816 4.681 20 70 DJIDRN CC(C)Oc1ccc(CN[C@@H](C)c2ccc(F)cc2Cl)cn1 ZINC000160050632 332751462 /nfs/dbraw/zinc/75/14/62/332751462.db2.gz GRCXGWVUBWGIFE-LBPRGKRZSA-N 0 0 322.811 4.512 20 70 DJIDRN CC(C)CSCCCNC(=O)c1c(Cl)cccc1Cl ZINC000160741676 333483788 /nfs/dbraw/zinc/48/37/88/333483788.db2.gz AXBSBKQTYKVKJF-UHFFFAOYSA-N 0 0 320.285 4.503 20 70 DJIDRN Cc1ccc(-c2nnc(CN(c3ccccc3C)C(C)C)o2)cc1 ZINC000216926793 337907376 /nfs/dbraw/zinc/90/73/76/337907376.db2.gz BSSQPSNKLLGBLL-UHFFFAOYSA-N 0 0 321.424 4.768 20 70 DJIDRN Fc1cc(Cl)cc(CNc2ccccc2N2CCCC2)c1 ZINC000160845488 338567237 /nfs/dbraw/zinc/56/72/37/338567237.db2.gz CAUJRZLELNHTJC-UHFFFAOYSA-N 0 0 304.796 4.691 20 70 DJIDRN Cc1ccsc1CCCC(=O)N(Cc1cccs1)C1CC1 ZINC000160953043 338572913 /nfs/dbraw/zinc/57/29/13/338572913.db2.gz SFWFETJJJSSJGX-UHFFFAOYSA-N 0 0 319.495 4.632 20 70 DJIDRN CCc1nc([C@H](C)N[C@H](CC)c2ccc(F)cc2F)cs1 ZINC000160905556 522457633 /nfs/dbraw/zinc/45/76/33/522457633.db2.gz YCHJCPRDCGEMGG-IINYFYTJSA-N 0 0 310.413 4.786 20 70 DJIDRN CCc1noc(C)c1CSCc1ncc(-c2ccccc2)o1 ZINC000159677353 522854728 /nfs/dbraw/zinc/85/47/28/522854728.db2.gz GCRCLOVDCPPJNN-UHFFFAOYSA-N 0 0 314.410 4.634 20 70 DJIDRN CC[C@@H](Nc1ccc(N(C)C(=O)OC)cc1)c1ccc(F)cc1 ZINC000160818080 522959274 /nfs/dbraw/zinc/95/92/74/522959274.db2.gz SDIOAQFXDWHBLE-QGZVFWFLSA-N 0 0 316.376 4.592 20 70 DJIDRN CCc1cccc(C)c1NC(=O)c1cnn(C(CC)CC)c1C ZINC000160637722 524065778 /nfs/dbraw/zinc/06/57/78/524065778.db2.gz IIVOLTBBSCXPIW-UHFFFAOYSA-N 0 0 313.445 4.676 20 70 DJIDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)C1CCC(C)(C)CC1)CCC2 ZINC000160291761 332783433 /nfs/dbraw/zinc/78/34/33/332783433.db2.gz QGIUFONFVACRIH-HNNXBMFYSA-N 0 0 320.502 4.504 20 70 DJIDRN CC(C)N(Cc1ccccc1)C(=O)NCCC1CCCCC1 ZINC000217305066 331566228 /nfs/dbraw/zinc/56/62/28/331566228.db2.gz CNWLGNSUOYMHRJ-UHFFFAOYSA-N 0 0 302.462 4.577 20 70 DJIDRN CCc1noc(C)c1CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000159365915 332079456 /nfs/dbraw/zinc/07/94/56/332079456.db2.gz RURVNFGBRXAVOQ-UHFFFAOYSA-N 0 0 304.393 4.729 20 70 DJIDRN CC(C)Oc1ccccc1NCc1noc(C2CCCCC2)n1 ZINC000161245410 332668176 /nfs/dbraw/zinc/66/81/76/332668176.db2.gz QKTSYRHXSKGACH-UHFFFAOYSA-N 0 0 315.417 4.517 20 70 DJIDRN CN(C(=O)c1occc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000159652481 332684767 /nfs/dbraw/zinc/68/47/67/332684767.db2.gz DQJJFTMXDBJHDA-UHFFFAOYSA-N 0 0 313.303 4.501 20 70 DJIDRN Cc1cc(C)c(C(=O)N[C@H]2CCSc3ccccc32)c(C)c1 ZINC000216643499 336279331 /nfs/dbraw/zinc/27/93/31/336279331.db2.gz BCUVHYFKSGAXPA-INIZCTEOSA-N 0 0 311.450 4.579 20 70 DJIDRN CSc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1F ZINC000161358122 337582515 /nfs/dbraw/zinc/58/25/15/337582515.db2.gz YQWPJDBCEJHSIF-UHFFFAOYSA-N 0 0 313.756 4.592 20 70 DJIDRN CCO[C@@H](C)c1nccn1CCCOc1ccc2ccccc2c1 ZINC000161490474 337588434 /nfs/dbraw/zinc/58/84/34/337588434.db2.gz LKFTXVKEWVPPON-INIZCTEOSA-N 0 0 324.424 4.603 20 70 DJIDRN CC(C)(C)NC(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000217114440 337912154 /nfs/dbraw/zinc/91/21/54/337912154.db2.gz KWVPDAZKCVVSSU-SFHVURJKSA-N 0 0 322.408 4.620 20 70 DJIDRN CCOc1ccc(CNC(=O)Nc2cccc3ccccc32)cc1 ZINC000217300935 340487423 /nfs/dbraw/zinc/48/74/23/340487423.db2.gz KKBAIHAFOLFMSD-UHFFFAOYSA-N 0 0 320.392 4.560 20 70 DJIDRN C/C=C(/C=C/C(=O)Nc1cc(NC(=O)CC)ccc1Cl)CC ZINC000160952576 518478343 /nfs/dbraw/zinc/47/83/43/518478343.db2.gz DFJRIMXLTFAIKK-FFKWBEBTSA-N 0 0 320.820 4.540 20 70 DJIDRN CCc1nc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2F)cs1 ZINC000160905188 522423569 /nfs/dbraw/zinc/42/35/69/522423569.db2.gz YCHJCPRDCGEMGG-YGRLFVJLSA-N 0 0 310.413 4.786 20 70 DJIDRN Cc1noc(C)c1CCSCCc1c(F)cccc1Cl ZINC000160149987 332764463 /nfs/dbraw/zinc/76/44/63/332764463.db2.gz VHROKPQBXFUMKR-UHFFFAOYSA-N 0 0 313.825 4.602 20 70 DJIDRN COc1cc(C(C)=O)ccc1SCC(=O)CCC1CCCC1 ZINC000160479543 332806541 /nfs/dbraw/zinc/80/65/41/332806541.db2.gz LEXJCZHKKZTIFW-UHFFFAOYSA-N 0 0 320.454 4.529 20 70 DJIDRN CC(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000159484360 332143215 /nfs/dbraw/zinc/14/32/15/332143215.db2.gz TWSLJBDEEWMSCV-UHFFFAOYSA-N 0 0 309.196 4.764 20 70 DJIDRN CCCCn1ncc(NC(=O)N(CC(C)C)CC(C)(C)C)c1C ZINC000159842401 332715102 /nfs/dbraw/zinc/71/51/02/332715102.db2.gz HVASDMNQGIQEIV-UHFFFAOYSA-N 0 0 322.497 4.528 20 70 DJIDRN CCS[C@@H](C)c1noc(CS[C@@H](C)c2ccccc2)n1 ZINC000161104747 333813945 /nfs/dbraw/zinc/81/39/45/333813945.db2.gz FFOMZRJEFOKCDO-RYUDHWBXSA-N 0 0 308.472 4.878 20 70 DJIDRN O=C(Nc1ccccc1Cl)N[C@H]1CCCc2sccc21 ZINC000161163799 333821852 /nfs/dbraw/zinc/82/18/52/333821852.db2.gz ACRLNOKYOBGNOO-LBPRGKRZSA-N 0 0 306.818 4.601 20 70 DJIDRN CCO[C@H](C)c1nccn1CCCOc1cccc2ccccc21 ZINC000161451918 337585797 /nfs/dbraw/zinc/58/57/97/337585797.db2.gz MEAQIGNUSMIDMG-MRXNPFEDSA-N 0 0 324.424 4.603 20 70 DJIDRN CCCOc1ccccc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000160394982 338549363 /nfs/dbraw/zinc/54/93/63/338549363.db2.gz AWFBIWXWIGLTOY-KGLIPLIRSA-N 0 0 315.438 4.588 20 70 DJIDRN Cc1cccc(CCNC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000217398766 340712456 /nfs/dbraw/zinc/71/24/56/340712456.db2.gz FTAALWWVMZDKDQ-UHFFFAOYSA-N 0 0 323.223 4.666 20 70 DJIDRN Cc1cccc(CCNC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000217398047 340712461 /nfs/dbraw/zinc/71/24/61/340712461.db2.gz XFDHDRJGPWGQKQ-UHFFFAOYSA-N 0 0 310.441 4.791 20 70 DJIDRN CC(C)(C)OC(=O)Nc1ccc(NCc2ccsc2)cc1 ZINC000159406526 518841869 /nfs/dbraw/zinc/84/18/69/518841869.db2.gz JRYKRAVSBSDUTN-UHFFFAOYSA-N 0 0 304.415 4.707 20 70 DJIDRN CCSc1cc(Cl)ccc1C(=O)Nc1c(C)noc1CC ZINC000161422707 521734487 /nfs/dbraw/zinc/73/44/87/521734487.db2.gz HTFQOASNVIRXDR-UHFFFAOYSA-N 0 0 324.833 4.563 20 70 DJIDRN COc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1F ZINC000159577049 522150261 /nfs/dbraw/zinc/15/02/61/522150261.db2.gz VTMAGDAXSKUPLE-UHFFFAOYSA-N 0 0 301.361 4.518 20 70 DJIDRN CC[C@@H](Nc1ccc(C)c(NC(C)=O)c1)c1ccc(F)cc1F ZINC000160767277 522956766 /nfs/dbraw/zinc/95/67/66/522956766.db2.gz OTLXAGBBXZNFLI-QGZVFWFLSA-N 0 0 318.367 4.795 20 70 DJIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159684251 525880020 /nfs/dbraw/zinc/88/00/20/525880020.db2.gz KILYSQZCPMHZLT-MGPQQGTHSA-N 0 0 317.479 4.585 20 70 DJIDRN