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](C)[C@@H](NCc1cc(F)cc(Cl)c1)C(=O)OC ZINC000160873500 529401277 /nfs/dbraw/zinc/40/12/77/529401277.db2.gz CPGAZCDVDHRYEC-NOZJJQNGSA-N 0 0 287.762 3.156 20 70 CGIDRN Cc1ccc(Cl)cc1C(=O)Nc1ccc(CCO)cc1 ZINC000160377419 232244611 /nfs/dbraw/zinc/24/46/11/232244611.db2.gz VHNGAXVSXXRHEY-UHFFFAOYSA-N 0 0 289.762 3.436 20 70 CGIDRN Cc1cccc([C@H](C)CNC(=O)CNc2ccccc2)c1 ZINC000160734461 232246377 /nfs/dbraw/zinc/24/63/77/232246377.db2.gz ORGVZJFEURDLLQ-OAHLLOKOSA-N 0 0 282.387 3.327 20 70 CGIDRN Cc1ccsc1CCCC(=O)N1CCOC(C)(C)C1 ZINC000161425148 232250080 /nfs/dbraw/zinc/25/00/80/232250080.db2.gz IJWWVPKIONKDAE-UHFFFAOYSA-N 0 0 281.421 3.017 20 70 CGIDRN Cc1ccccc1CCNC(=O)c1cccc(C)c1F ZINC000161409809 232250676 /nfs/dbraw/zinc/25/06/76/232250676.db2.gz QRQKDQWQSDGIGS-UHFFFAOYSA-N 0 0 271.335 3.415 20 70 CGIDRN CC(C)=C[C@@H]1[C@H](C(=O)NCCc2cccc(O)c2)C1(C)C ZINC000160217698 346169989 /nfs/dbraw/zinc/16/99/89/346169989.db2.gz QYOAVNWRFSCMPO-HZPDHXFCSA-N 0 0 287.403 3.289 20 70 CGIDRN C[C@@H](SCCCCS(C)(=O)=O)c1ccccc1 ZINC000160908843 346173157 /nfs/dbraw/zinc/17/31/57/346173157.db2.gz JNEKOTQGEMKYQV-GFCCVEGCSA-N 0 0 272.435 3.306 20 70 CGIDRN C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000161051606 346174470 /nfs/dbraw/zinc/17/44/70/346174470.db2.gz PVXADADOWZVOON-SNPRPXQTSA-N 0 0 257.377 3.269 20 70 CGIDRN CC[C@H](S[C@H]1CCN(C)C1=O)c1ccc(F)cc1F ZINC000161374721 346175049 /nfs/dbraw/zinc/17/50/49/346175049.db2.gz PGZRYKZFQOGJSZ-STQMWFEESA-N 0 0 285.359 3.380 20 70 CGIDRN CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C)nc2)C1 ZINC000161331959 346175169 /nfs/dbraw/zinc/17/51/69/346175169.db2.gz SVOMEQMIQTYCGW-YPMHNXCESA-N 0 0 279.409 3.186 20 70 CGIDRN CON(C)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000218121940 346292856 /nfs/dbraw/zinc/29/28/56/346292856.db2.gz LPGQSCALJYICHA-DTWKUNHWSA-N 0 0 274.147 3.117 20 70 CGIDRN CON(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000218122009 346292920 /nfs/dbraw/zinc/29/29/20/346292920.db2.gz LPGQSCALJYICHA-IUCAKERBSA-N 0 0 274.147 3.117 20 70 CGIDRN Cc1ccccc1OCCCNC(=O)N1CCCC[C@@H]1C ZINC000217300384 346290820 /nfs/dbraw/zinc/29/08/20/346290820.db2.gz KELYKQRNNMSXNB-HNNXBMFYSA-N 0 0 290.407 3.348 20 70 CGIDRN Cc1ccc(CCNC(=O)NCC2CCCC2)cc1 ZINC000217578308 346291124 /nfs/dbraw/zinc/29/11/24/346291124.db2.gz MQKPVPYBNDANDK-UHFFFAOYSA-N 0 0 260.381 3.027 20 70 CGIDRN O=C(N[C@@H]1CCCc2sccc21)[C@@H]1COc2ccccc21 ZINC000160034981 295749820 /nfs/dbraw/zinc/74/98/20/295749820.db2.gz OLOTZRGMOQNBPT-ZIAGYGMSSA-N 0 0 299.395 3.418 20 70 CGIDRN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000159396210 188423623 /nfs/dbraw/zinc/42/36/23/188423623.db2.gz LONURADEVUUKEF-TYNCELHUSA-N 0 0 297.826 3.042 20 70 CGIDRN CCC[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)CCO1 ZINC000159458273 188426765 /nfs/dbraw/zinc/42/67/65/188426765.db2.gz BUZWIFBBPQZZCW-LLVKDONJSA-N 0 0 285.746 3.120 20 70 CGIDRN CCC[C@H](CCO)CNC(=O)c1cc(C)cc(Cl)c1 ZINC000159834506 188443748 /nfs/dbraw/zinc/44/37/48/188443748.db2.gz DZRSZQPBPPINNV-GFCCVEGCSA-N 0 0 283.799 3.177 20 70 CGIDRN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3sccc32)CCO1 ZINC000160012551 188450594 /nfs/dbraw/zinc/45/05/94/188450594.db2.gz IAVVYPOCLGWQCA-YRGRVCCFSA-N 0 0 293.432 3.447 20 70 CGIDRN COc1ccc2cc(CNC(=O)[C@H]3CCCCO3)ccc2c1 ZINC000160470233 188474648 /nfs/dbraw/zinc/47/46/48/188474648.db2.gz ODZGAIGKAHNREY-QGZVFWFLSA-N 0 0 299.370 3.034 20 70 CGIDRN CC(C)(C)c1nnc(N[C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000160473081 188475147 /nfs/dbraw/zinc/47/51/47/188475147.db2.gz NHNPGHWJQWFJBF-WDEREUQCSA-N 0 0 281.425 3.205 20 70 CGIDRN CCCOc1cccc(CC(=O)N[C@H](C)c2cccnc2)c1 ZINC000160670069 188485731 /nfs/dbraw/zinc/48/57/31/188485731.db2.gz IGVUJKNCWKBMIV-CQSZACIVSA-N 0 0 298.386 3.290 20 70 CGIDRN CC(C)CSCCCNC(=O)/C=C/c1cncc(F)c1 ZINC000160747256 188488425 /nfs/dbraw/zinc/48/84/25/188488425.db2.gz AQFREIUXQUPTCH-SNAWJCMRSA-N 0 0 296.411 3.129 20 70 CGIDRN CCCC[C@@H](CC)CNC(=O)NOCc1cccnc1 ZINC000160976659 188500939 /nfs/dbraw/zinc/50/09/39/188500939.db2.gz DNZQQVFCHZNLDY-CYBMUJFWSA-N 0 0 279.384 3.029 20 70 CGIDRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CC1(C)C ZINC000160879515 188496263 /nfs/dbraw/zinc/49/62/63/188496263.db2.gz XPZWBCCCMCZUMS-ZDUSSCGKSA-N 0 0 288.391 3.153 20 70 CGIDRN C[C@H](CCO)CNC(=O)C1CCC(c2ccccc2)CC1 ZINC000161048622 188505059 /nfs/dbraw/zinc/50/50/59/188505059.db2.gz STPKJPIFTUMGKQ-ODIFPOPNSA-N 0 0 289.419 3.095 20 70 CGIDRN COc1ccc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)cc1N ZINC000161230680 188516558 /nfs/dbraw/zinc/51/65/58/188516558.db2.gz WKDGMBOBHDQJSQ-VXGBXAGGSA-N 0 0 276.380 3.432 20 70 CGIDRN COCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)C(C)C)o1 ZINC000161406271 188525551 /nfs/dbraw/zinc/52/55/51/188525551.db2.gz BPXWKZNWVXFCBX-GXTWGEPZSA-N 0 0 279.380 3.382 20 70 CGIDRN O=C(N[C@H]1CCCc2sccc21)[C@H]1CSCCS1 ZINC000160421730 295875484 /nfs/dbraw/zinc/87/54/84/295875484.db2.gz FXYNAXQOLLSZKQ-CMPLNLGQSA-N 0 0 299.486 3.090 20 70 CGIDRN C[C@H]1C[C@@H]1C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159528233 291094199 /nfs/dbraw/zinc/09/41/99/291094199.db2.gz OHZHKVQVCWFOPC-SRVKXCTJSA-N 0 0 261.390 3.417 20 70 CGIDRN O=C(NCc1cccs1)Nc1cc(Cl)ccn1 ZINC000217301472 138492148 /nfs/dbraw/zinc/49/21/48/138492148.db2.gz FHMQBWZFVLQJQQ-UHFFFAOYSA-N 0 0 267.741 3.118 20 70 CGIDRN CO[C@H](C)CC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159633816 294216762 /nfs/dbraw/zinc/21/67/62/294216762.db2.gz JLNXWZQEBNQATE-NWDGAFQWSA-N 0 0 279.405 3.186 20 70 CGIDRN C[C@H](c1cc(F)ccc1F)N(C)CCOCC1CC1 ZINC000159364202 372135955 /nfs/dbraw/zinc/13/59/55/372135955.db2.gz MMUSLNBNTIUITE-LLVKDONJSA-N 0 0 269.335 3.384 20 70 CGIDRN CN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCSC1 ZINC000159400385 372138713 /nfs/dbraw/zinc/13/87/13/372138713.db2.gz XAPKWQABKOYGEL-VIFPVBQESA-N 0 0 288.775 3.448 20 70 CGIDRN O=C(NCCOc1ccccc1Cl)[C@H]1CC=CCC1 ZINC000159400673 372139719 /nfs/dbraw/zinc/13/97/19/372139719.db2.gz PGXIZRIDKTXUSH-LBPRGKRZSA-N 0 0 279.767 3.191 20 70 CGIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccnc1 ZINC000159467089 372146304 /nfs/dbraw/zinc/14/63/04/372146304.db2.gz KNTSDPNKVZJACE-KGLIPLIRSA-N 0 0 286.400 3.214 20 70 CGIDRN COc1ccc(C(C)(C)C(=O)N2CCCC[C@@H]2C)cc1 ZINC000159468614 372147805 /nfs/dbraw/zinc/14/78/05/372147805.db2.gz SBESPSLQZQJIKG-ZDUSSCGKSA-N 0 0 275.392 3.374 20 70 CGIDRN CC(C)(CNC(=O)c1ccc(N)cc1)Cc1ccccc1 ZINC000159486839 372148947 /nfs/dbraw/zinc/14/89/47/372148947.db2.gz ODJKVXWAKUJYIC-UHFFFAOYSA-N 0 0 282.387 3.268 20 70 CGIDRN CC(C)Sc1ccccc1NC(=O)C[C@H]1COC(=O)C1 ZINC000159565994 372155726 /nfs/dbraw/zinc/15/57/26/372155726.db2.gz DEUBDPTZYUNCIX-LLVKDONJSA-N 0 0 293.388 3.079 20 70 CGIDRN CCCN(C(=O)Cc1c(Cl)cccc1OC)C1CC1 ZINC000159602733 372161840 /nfs/dbraw/zinc/16/18/40/372161840.db2.gz ZFULDPJQRYVERN-UHFFFAOYSA-N 0 0 281.783 3.292 20 70 CGIDRN CCOC(=O)CCc1ccc(NC(=O)N(CC)CC)cc1 ZINC000159635357 372163313 /nfs/dbraw/zinc/16/33/13/372163313.db2.gz FWXRSFOJARYKQH-UHFFFAOYSA-N 0 0 292.379 3.056 20 70 CGIDRN CCc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)o1 ZINC000159708881 372171969 /nfs/dbraw/zinc/17/19/69/372171969.db2.gz CEAQBYYHFNWNQJ-AEZGRPFRSA-N 0 0 290.388 3.498 20 70 CGIDRN COc1c(F)cc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc1F ZINC000159737603 372174211 /nfs/dbraw/zinc/17/42/11/372174211.db2.gz WKYCILBBGUKOAH-NXEZZACHSA-N 0 0 298.333 3.483 20 70 CGIDRN Cc1cccc(C)c1OCCC(=O)NCC1(C2CC2)CC1 ZINC000160054027 372207164 /nfs/dbraw/zinc/20/71/64/372207164.db2.gz SYHQCJOHKBVZGM-UHFFFAOYSA-N 0 0 287.403 3.379 20 70 CGIDRN CC(C)c1noc2ncc(C(=O)NCC3(C4CC4)CC3)cc21 ZINC000160062926 372208863 /nfs/dbraw/zinc/20/88/63/372208863.db2.gz IOCIXJPCYMXENV-UHFFFAOYSA-N 0 0 299.374 3.266 20 70 CGIDRN CC(C)[C@@H](C)CC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160086247 372210910 /nfs/dbraw/zinc/21/09/10/372210910.db2.gz YBCOQIPDRBQOJK-NSHDSACASA-N 0 0 263.337 3.060 20 70 CGIDRN Fc1ccc2oc(N[C@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000160101547 372212065 /nfs/dbraw/zinc/21/20/65/372212065.db2.gz VDERYIGYLGLVMW-BPNCWPANSA-N 0 0 288.322 3.336 20 70 CGIDRN CC(C)(C)c1nsc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000160102511 372212563 /nfs/dbraw/zinc/21/25/63/372212563.db2.gz WSRFLGZQBPLAKY-MXWKQRLJSA-N 0 0 293.436 3.205 20 70 CGIDRN Cc1ccoc1C(=O)N[C@H]1CCCc2sccc21 ZINC000160104956 372213913 /nfs/dbraw/zinc/21/39/13/372213913.db2.gz TUNSAIWSJVGGPI-NSHDSACASA-N 0 0 261.346 3.457 20 70 CGIDRN CC[C@@H](NC(=O)Nc1ccc(SC)cc1)[C@@H]1CCCO1 ZINC000160117102 372214719 /nfs/dbraw/zinc/21/47/19/372214719.db2.gz VWZKCDMMFLLDKS-KGLIPLIRSA-N 0 0 294.420 3.488 20 70 CGIDRN Cc1ccc2cccc(NC(=O)NOCC(C)C)c2n1 ZINC000160110323 372214817 /nfs/dbraw/zinc/21/48/17/372214817.db2.gz FOQMJLXCMSTIMR-UHFFFAOYSA-N 0 0 273.336 3.252 20 70 CGIDRN CCOc1cc(F)ccc1NC(=O)C[C@H](C)SC ZINC000160137840 372216868 /nfs/dbraw/zinc/21/68/68/372216868.db2.gz AMVXQONIWJHPOM-VIFPVBQESA-N 0 0 271.357 3.305 20 70 CGIDRN CCCn1nc(C)c([C@H]2NC(=O)c3cccc(C)c3N2)c1C ZINC000160146512 372218279 /nfs/dbraw/zinc/21/82/79/372218279.db2.gz OJXXBQZVOAGFNG-MRXNPFEDSA-N 0 0 298.390 3.072 20 70 CGIDRN Cc1cc(C(=O)NCCc2cccc(O)c2)sc1C ZINC000160162269 372219755 /nfs/dbraw/zinc/21/97/55/372219755.db2.gz AUWLHFRLDPUACB-UHFFFAOYSA-N 0 0 275.373 3.043 20 70 CGIDRN O=C(/C=C/c1cnc2ccccc2n1)NCCC1=CCCC1 ZINC000160162018 372219835 /nfs/dbraw/zinc/21/98/35/372219835.db2.gz DFQCOQXEPWNELH-MDZDMXLPSA-N 0 0 293.370 3.260 20 70 CGIDRN CC1(C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000160161401 372220210 /nfs/dbraw/zinc/22/02/10/372220210.db2.gz UUKKKOGIJIOXFL-LLVKDONJSA-N 0 0 265.353 3.279 20 70 CGIDRN COc1ccc2c(c1)C=C(C(=O)NCCC1=CCCC1)CO2 ZINC000160164336 372220232 /nfs/dbraw/zinc/22/02/32/372220232.db2.gz ZKMGMZFAMQLWTK-UHFFFAOYSA-N 0 0 299.370 3.088 20 70 CGIDRN CCOCCCC(=O)O[C@@H](C)c1cc(C)ccc1OC ZINC000160174896 372222990 /nfs/dbraw/zinc/22/29/90/372222990.db2.gz YQQXNBDVPLDQIB-ZDUSSCGKSA-N 0 0 280.364 3.425 20 70 CGIDRN CC[C@H](C(=O)N[C@H](C)CSC)c1ccc(F)cc1 ZINC000160205306 372224586 /nfs/dbraw/zinc/22/45/86/372224586.db2.gz YOCHNAWNVOZYBO-MFKMUULPSA-N 0 0 269.385 3.187 20 70 CGIDRN CC(C)OC(=O)CCCNC(=O)N(C)C1CCCCCC1 ZINC000160217287 372225544 /nfs/dbraw/zinc/22/55/44/372225544.db2.gz FIIXBLMHQLCANB-UHFFFAOYSA-N 0 0 298.427 3.082 20 70 CGIDRN CCC(=O)N1CCCC[C@@H]1C(=O)N(CC)CC(CC)CC ZINC000160210254 372225805 /nfs/dbraw/zinc/22/58/05/372225805.db2.gz UIYUGCUMTQJMIM-OAHLLOKOSA-N 0 0 296.455 3.062 20 70 CGIDRN CC(C)CCC(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000159814022 372183097 /nfs/dbraw/zinc/18/30/97/372183097.db2.gz SSOKRJDISVIERM-HOCLYGCPSA-N 0 0 277.408 3.094 20 70 CGIDRN O=C(CCOc1ccccc1Cl)NCC1(C2CC2)CC1 ZINC000159820789 372183367 /nfs/dbraw/zinc/18/33/67/372183367.db2.gz IKDXAWXJVFBASY-UHFFFAOYSA-N 0 0 293.794 3.415 20 70 CGIDRN C[C@@H]1CN(Cc2noc(C3CCCCC3)n2)CCS1 ZINC000159842529 372186318 /nfs/dbraw/zinc/18/63/18/372186318.db2.gz PZFWOLISIWUALG-LLVKDONJSA-N 0 0 281.425 3.055 20 70 CGIDRN Cc1cc2cc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)ccc2[nH]1 ZINC000159851742 372186577 /nfs/dbraw/zinc/18/65/77/372186577.db2.gz OYAKVFKAPNIEBS-ZUZCIYMTSA-N 0 0 284.359 3.420 20 70 CGIDRN C[C@@H](NC(=O)[C@H](C)C1CC1)c1ccccc1-n1cccn1 ZINC000159845743 372186599 /nfs/dbraw/zinc/18/65/99/372186599.db2.gz VECSKEGAHCMYAO-CHWSQXEVSA-N 0 0 283.375 3.096 20 70 CGIDRN CCN(C(=O)c1cccc(-c2nc[nH]n2)c1)c1ccccc1 ZINC000159868306 372188598 /nfs/dbraw/zinc/18/85/98/372188598.db2.gz BWNAPHUCYBSYTR-UHFFFAOYSA-N 0 0 292.342 3.138 20 70 CGIDRN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N(C1CC1)C1CCCC1 ZINC000160347444 372240630 /nfs/dbraw/zinc/24/06/30/372240630.db2.gz UQHVDKBIJJWXDA-CZUORRHYSA-N 0 0 292.423 3.061 20 70 CGIDRN C[C@H](SCCN1CCOCC1)c1ccc(F)cc1F ZINC000159943683 372195935 /nfs/dbraw/zinc/19/59/35/372195935.db2.gz MLBGODKWJJGJJN-NSHDSACASA-N 0 0 287.375 3.091 20 70 CGIDRN CSCCCCC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000159947091 372195961 /nfs/dbraw/zinc/19/59/61/372195961.db2.gz AEZIXVKERVMQEE-UONOGXRCSA-N 0 0 287.469 3.231 20 70 CGIDRN CC[C@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000159937037 372196080 /nfs/dbraw/zinc/19/60/80/372196080.db2.gz SJHNCOFXMATZFJ-WCBMZHEXSA-N 0 0 261.243 3.274 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/nfs/dbraw/zinc/52/73/76/188527376.db2.gz DQLJXLUNBBPHFH-LBPRGKRZSA-N 0 0 273.380 3.147 20 70 CGIDRN Fc1ccc2oc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)nc2c1 ZINC000160101687 283012096 /nfs/dbraw/zinc/01/20/96/283012096.db2.gz VDERYIGYLGLVMW-HONMWMINSA-N 0 0 288.322 3.336 20 70 CGIDRN CCC1(CNc2ccc(C(=O)OC)c(C)n2)CCC1 ZINC000218060913 138492824 /nfs/dbraw/zinc/49/28/24/138492824.db2.gz ZJIBRPPSDUQKTO-UHFFFAOYSA-N 0 0 262.353 3.169 20 70 CGIDRN O=C([C@H]1CCCCO1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000160622646 296104672 /nfs/dbraw/zinc/10/46/72/296104672.db2.gz LHFCZRLRQIVOEP-HUUCEWRRSA-N 0 0 277.339 3.058 20 70 CGIDRN CCN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H](C)C(C)C ZINC000161120723 284187033 /nfs/dbraw/zinc/18/70/33/284187033.db2.gz CSQGHYTZBMJUNM-XQLPTFJDSA-N 0 0 294.439 3.020 20 70 CGIDRN Cc1cnc([C@@H](C)NC(=O)N[C@@H](C)CC(C)C)s1 ZINC000159394295 372139624 /nfs/dbraw/zinc/13/96/24/372139624.db2.gz FRIPOHYDSZTSRT-GXSJLCMTSA-N 0 0 269.414 3.246 20 70 CGIDRN CCc1noc(C)c1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000159394684 372139867 /nfs/dbraw/zinc/13/98/67/372139867.db2.gz HUCRGXDQJZGSOR-UHFFFAOYSA-N 0 0 292.339 3.475 20 70 CGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1cccnc1 ZINC000159409283 372140684 /nfs/dbraw/zinc/14/06/84/372140684.db2.gz KLOOOHORKINUAM-STQMWFEESA-N 0 0 273.357 3.298 20 70 CGIDRN C[C@H](CCn1cccn1)Nc1cccc(-c2cnco2)c1 ZINC000159415216 372141510 /nfs/dbraw/zinc/14/15/10/372141510.db2.gz DCSWPPIUOUAXMZ-CYBMUJFWSA-N 0 0 282.347 3.429 20 70 CGIDRN CC(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 ZINC000159449335 372144589 /nfs/dbraw/zinc/14/45/89/372144589.db2.gz IJGGFCKDXGFLSE-ZCFIWIBFSA-N 0 0 250.191 3.469 20 70 CGIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)Cc1ccco1 ZINC000159515004 372151113 /nfs/dbraw/zinc/15/11/13/372151113.db2.gz DOVXWZPJSXJDTP-QWHCGFSZSA-N 0 0 275.373 3.412 20 70 CGIDRN CCC(CC)c1cc(C(=O)N(C)Cc2ccncc2)on1 ZINC000159515676 372151171 /nfs/dbraw/zinc/15/11/71/372151171.db2.gz SRUZBTSGXRZQKK-UHFFFAOYSA-N 0 0 287.363 3.245 20 70 CGIDRN CCCCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000159533250 372152659 /nfs/dbraw/zinc/15/26/59/372152659.db2.gz NSQWOKIPXBAADP-VXGBXAGGSA-N 0 0 298.377 3.310 20 70 CGIDRN Cc1nc(CN2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159803581 372181092 /nfs/dbraw/zinc/18/10/92/372181092.db2.gz XHNSMMIPBSVALC-OAHLLOKOSA-N 0 0 273.405 3.492 20 70 CGIDRN Cc1noc(C)c1C[C@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000159569322 372155841 /nfs/dbraw/zinc/15/58/41/372155841.db2.gz PQLJMXZCRKZEFL-QMMMGPOBSA-N 0 0 294.424 3.484 20 70 CGIDRN CC(C)c1ccc(C(=O)NCC[C@@H](O)c2ccccc2)cn1 ZINC000159793557 372181412 /nfs/dbraw/zinc/18/14/12/372181412.db2.gz ZKSJIXABTGJASG-QGZVFWFLSA-N 0 0 298.386 3.059 20 70 CGIDRN CC[C@H](OC1CCCCC1)C(=O)Nc1ccncc1 ZINC000159607513 372160901 /nfs/dbraw/zinc/16/09/01/372160901.db2.gz SWPKVPIGKWNPRM-AWEZNQCLSA-N 0 0 262.353 3.148 20 70 CGIDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCC2CC2)c1 ZINC000159642369 372163927 /nfs/dbraw/zinc/16/39/27/372163927.db2.gz IIALNFKEOIZTSY-UHFFFAOYSA-N 0 0 294.782 3.074 20 70 CGIDRN Cc1cc(OCCCOc2c(C)cccc2C)nn1C ZINC000159813250 372182487 /nfs/dbraw/zinc/18/24/87/372182487.db2.gz IFXKSBKXTUAPFR-UHFFFAOYSA-N 0 0 274.364 3.193 20 70 CGIDRN C[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)C1 ZINC000159766692 372178382 /nfs/dbraw/zinc/17/83/82/372178382.db2.gz IFTITLFRGPYCLQ-GHMZBOCLSA-N 0 0 257.337 3.328 20 70 CGIDRN CC(C)(C)C[C@@H](CO)Nc1nc(C(C)(C)C)ns1 ZINC000160041284 372207151 /nfs/dbraw/zinc/20/71/51/372207151.db2.gz MRCSBVXRMLVDEO-VIFPVBQESA-N 0 0 271.430 3.045 20 70 CGIDRN COc1cc(NCc2ccc3c(c2)OCCO3)ccc1F ZINC000160054801 372209334 /nfs/dbraw/zinc/20/93/34/372209334.db2.gz XUOPVYFBGLLNDD-UHFFFAOYSA-N 0 0 289.306 3.218 20 70 CGIDRN COc1ccc(F)cc1[C@H](C)NC(=O)C[C@H](C)SC ZINC000160083253 372210916 /nfs/dbraw/zinc/21/09/16/372210916.db2.gz PGOPFCQPWJJYHD-UWVGGRQHSA-N 0 0 285.384 3.153 20 70 CGIDRN O=C(CC[C@H]1CCOC1)N[C@@H]1CCCc2sccc21 ZINC000160092347 372213068 /nfs/dbraw/zinc/21/30/68/372213068.db2.gz CFQPPKFXVONPCX-WCQYABFASA-N 0 0 279.405 3.058 20 70 CGIDRN C[C@H](CC(=O)NCCc1cccc(O)c1)c1ccccc1 ZINC000160163301 372220689 /nfs/dbraw/zinc/22/06/89/372220689.db2.gz BPXMMVHHYVYSPZ-CQSZACIVSA-N 0 0 283.371 3.245 20 70 CGIDRN CN(C(=O)c1cccc2[nH]ccc21)c1ccc2c(c1)OCO2 ZINC000160179927 372221707 /nfs/dbraw/zinc/22/17/07/372221707.db2.gz ZFYJQUYLNBJOQC-UHFFFAOYSA-N 0 0 294.310 3.173 20 70 CGIDRN FC(F)(F)c1nnc(NCC(C2CC2)C2CC2)s1 ZINC000160178497 372222172 /nfs/dbraw/zinc/22/21/72/372222172.db2.gz IHKFOPSZKVMCMR-UHFFFAOYSA-N 0 0 277.315 3.405 20 70 CGIDRN C[C@@H](Cc1ccccc1F)C(=O)NCC1(C2CC2)CC1 ZINC000160183369 372222363 /nfs/dbraw/zinc/22/23/63/372222363.db2.gz VOMBMZBQPDXPNX-LBPRGKRZSA-N 0 0 275.367 3.311 20 70 CGIDRN C[C@@H](SCCc1ccccc1)C(=O)N1CCCCC1 ZINC000160178532 372223014 /nfs/dbraw/zinc/22/30/14/372223014.db2.gz DJRWVHSPMOQFLY-CQSZACIVSA-N 0 0 277.433 3.363 20 70 CGIDRN Cc1ccc(-c2nc(NC(=O)C[C@@H]3CC[C@@H](C)C3)n[nH]2)o1 ZINC000160188210 372224361 /nfs/dbraw/zinc/22/43/61/372224361.db2.gz IAKMATABNZKXMP-MWLCHTKSSA-N 0 0 288.351 3.138 20 70 CGIDRN COC[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000160198701 372224706 /nfs/dbraw/zinc/22/47/06/372224706.db2.gz UJSGOZRRILEFBQ-HQWZXOHUSA-N 0 0 287.403 3.365 20 70 CGIDRN C[C@]1(c2ccccc2)CN(C(=O)Nc2ccccc2)CCO1 ZINC000160191081 372224791 /nfs/dbraw/zinc/22/47/91/372224791.db2.gz FVMUQXZRZMYKKH-GOSISDBHSA-N 0 0 296.370 3.466 20 70 CGIDRN CCOCCC1(CNC(=O)N[C@@H]2CCC[C@H]2CC)CC1 ZINC000160230549 372227343 /nfs/dbraw/zinc/22/73/43/372227343.db2.gz RPQAFKJBGQGAKF-ZIAGYGMSSA-N 0 0 282.428 3.071 20 70 CGIDRN CCc1nnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000160271148 372231324 /nfs/dbraw/zinc/23/13/24/372231324.db2.gz GUFIDGLSSSIHBJ-VIFPVBQESA-N 0 0 298.312 3.237 20 70 CGIDRN CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000159820404 372183160 /nfs/dbraw/zinc/18/31/60/372183160.db2.gz PQMWQDGEOXNHEW-UHFFFAOYSA-N 0 0 251.757 3.189 20 70 CGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000159855721 372187751 /nfs/dbraw/zinc/18/77/51/372187751.db2.gz XGJYUTKOHYAAIW-STQMWFEESA-N 0 0 275.417 3.466 20 70 CGIDRN CCN(Cc1ccccn1)c1nc(C(C)(C)C)ns1 ZINC000159895155 372190269 /nfs/dbraw/zinc/19/02/69/372190269.db2.gz IDOCVNHDCBNPKZ-UHFFFAOYSA-N 0 0 276.409 3.257 20 70 CGIDRN CCc1noc([C@@H](C)Nc2ccn(CCC(C)C)n2)n1 ZINC000159894820 372190961 /nfs/dbraw/zinc/19/09/61/372190961.db2.gz KYRADODTGHRFEC-LLVKDONJSA-N 0 0 277.372 3.048 20 70 CGIDRN CCCOc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000159914317 372192967 /nfs/dbraw/zinc/19/29/67/372192967.db2.gz DVUSYLPDHHVVFJ-UHFFFAOYSA-N 0 0 273.376 3.395 20 70 CGIDRN COCCCCC(=O)N[C@@H]1CCCc2sccc21 ZINC000159901948 372192977 /nfs/dbraw/zinc/19/29/77/372192977.db2.gz IVEAKPUOBUZVRT-GFCCVEGCSA-N 0 0 267.394 3.058 20 70 CGIDRN Cc1ccsc1CCCC(=O)Nc1ccncc1 ZINC000159922833 372194727 /nfs/dbraw/zinc/19/47/27/372194727.db2.gz OYZHPQGRIRYMMF-UHFFFAOYSA-N 0 0 260.362 3.413 20 70 CGIDRN CC(C)CO[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159959376 372198490 /nfs/dbraw/zinc/19/84/90/372198490.db2.gz IRDRFTUCJSJQDJ-LLVKDONJSA-N 0 0 283.441 3.087 20 70 CGIDRN COC(=O)[C@H](Sc1ccncc1)c1ccccc1 ZINC000159971109 372200365 /nfs/dbraw/zinc/20/03/65/372200365.db2.gz ADECLOVDSQBIKY-CYBMUJFWSA-N 0 0 259.330 3.088 20 70 CGIDRN CC[C@H](NC(=O)c1ccccc1C)c1c(C)noc1C ZINC000159996436 372201776 /nfs/dbraw/zinc/20/17/76/372201776.db2.gz JZAJCAGOWMQCMX-AWEZNQCLSA-N 0 0 272.348 3.481 20 70 CGIDRN COc1c(Cl)cccc1NC(=O)C[C@H](C)SC ZINC000160952223 372290481 /nfs/dbraw/zinc/29/04/81/372290481.db2.gz REUZMKPRUHOOEG-QMMMGPOBSA-N 0 0 273.785 3.429 20 70 CGIDRN CCN(CCCS(=O)(=O)C(C)C)c1cc(C)ccc1C ZINC000160954906 372290527 /nfs/dbraw/zinc/29/05/27/372290527.db2.gz XWJUFKNAXLVDGX-UHFFFAOYSA-N 0 0 297.464 3.343 20 70 CGIDRN CCc1noc(C)c1C[S@@](=O)c1ccc(C)cc1C ZINC000161040201 372297297 /nfs/dbraw/zinc/29/72/97/372297297.db2.gz MEYAMKFVWBZAOF-IBGZPJMESA-N 0 0 277.389 3.470 20 70 CGIDRN Cc1cccc(C)c1NC(=O)NCCCC(=O)OC(C)C ZINC000161066001 372298758 /nfs/dbraw/zinc/29/87/58/372298758.db2.gz MOISYRSSCQNJGH-UHFFFAOYSA-N 0 0 292.379 3.157 20 70 CGIDRN CCCC1(CNC(=O)CCc2c(C)noc2Cl)CC1 ZINC000160454725 372247638 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CGIDRN CCCCO[C@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159505363 188429301 /nfs/dbraw/zinc/42/93/01/188429301.db2.gz UGCBLGGHDIFNRL-LLVKDONJSA-N 0 0 283.343 3.002 20 70 CGIDRN Cc1cc(NC(=O)[C@@H](C)OC2CCCCCC2)no1 ZINC000159599382 188433940 /nfs/dbraw/zinc/43/39/40/188433940.db2.gz YIPVNOBHPSDNNY-LLVKDONJSA-N 0 0 266.341 3.049 20 70 CGIDRN Cc1ccccc1NC(=O)N(C)CCc1nccs1 ZINC000159721934 188438460 /nfs/dbraw/zinc/43/84/60/188438460.db2.gz QPXVPWXCCKENNC-UHFFFAOYSA-N 0 0 275.377 3.158 20 70 CGIDRN CCc1ccc([C@@H](C)CC(=O)Nc2cccn(C)c2=O)cc1 ZINC000159920742 188447435 /nfs/dbraw/zinc/44/74/35/188447435.db2.gz SWIFREPYKIRWNZ-ZDUSSCGKSA-N 0 0 298.386 3.080 20 70 CGIDRN Cc1cccc([C@H](C)NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1C ZINC000160097158 188454996 /nfs/dbraw/zinc/45/49/96/188454996.db2.gz UCMQGLQLPJPZSC-NOLJZWGESA-N 0 0 287.403 3.486 20 70 CGIDRN O=C(O[C@@H](c1ccccn1)C(F)(F)F)C1CC=CC1 ZINC000160115050 188456176 /nfs/dbraw/zinc/45/61/76/188456176.db2.gz UTYKWZCSHAVRGK-NSHDSACASA-N 0 0 271.238 3.194 20 70 CGIDRN COc1cc(N[C@@H](C)c2cncs2)ccc1F ZINC000160145964 188457205 /nfs/dbraw/zinc/45/72/05/188457205.db2.gz GQLUQSDNAIJTBQ-QMMMGPOBSA-N 0 0 252.314 3.464 20 70 CGIDRN COc1ccc(C)cc1[C@H](C)OC(=O)C1CCOCC1 ZINC000160165021 188458228 /nfs/dbraw/zinc/45/82/28/188458228.db2.gz KAKPNWNNCVRRQH-LBPRGKRZSA-N 0 0 278.348 3.034 20 70 CGIDRN CC(=O)Nc1ccc(F)c(C(=O)NCCC2=CCCC2)c1 ZINC000160170180 188458967 /nfs/dbraw/zinc/45/89/67/188458967.db2.gz WXRCRLVCRQSJQQ-UHFFFAOYSA-N 0 0 290.338 3.014 20 70 CGIDRN CC/C=C(/C)C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000160167133 188458987 /nfs/dbraw/zinc/45/89/87/188458987.db2.gz WGESNTOYUYHLOJ-KVGPOCCESA-N 0 0 275.392 3.014 20 70 CGIDRN CSC[C@@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000160190925 188459676 /nfs/dbraw/zinc/45/96/76/188459676.db2.gz ZYFRFZMXAIQQLU-KOLCDFICSA-N 0 0 269.435 3.241 20 70 CGIDRN CC(C)CCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160416716 188472272 /nfs/dbraw/zinc/47/22/72/188472272.db2.gz ACMRAUXGMAILDR-HNNXBMFYSA-N 0 0 292.379 3.022 20 70 CGIDRN CCS[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)C(C)C ZINC000160640851 188484021 /nfs/dbraw/zinc/48/40/21/188484021.db2.gz JSRMTGDJWILLJM-AWEZNQCLSA-N 0 0 295.404 3.156 20 70 CGIDRN CC(=O)c1c(F)cccc1N[C@@H]1CCOC(C)(C)C1 ZINC000160633230 188484472 /nfs/dbraw/zinc/48/44/72/188484472.db2.gz NONRRSXFEUMXRJ-LLVKDONJSA-N 0 0 265.328 3.398 20 70 CGIDRN CCOCCC1(C(=O)NCc2ccc(F)cc2)CCC1 ZINC000160649991 188485650 /nfs/dbraw/zinc/48/56/50/188485650.db2.gz HGFVMHYPRJNULD-UHFFFAOYSA-N 0 0 279.355 3.039 20 70 CGIDRN CC[C@@H](NC(=O)c1sc(C)nc1C)c1c(C)noc1C ZINC000160674463 188486058 /nfs/dbraw/zinc/48/60/58/188486058.db2.gz NAFRUPMWQWZYLR-LLVKDONJSA-N 0 0 293.392 3.246 20 70 CGIDRN Cc1ccc(NC(=O)N[C@H]2CCOC(C)(C)C2)cc1C ZINC000160669973 188486092 /nfs/dbraw/zinc/48/60/92/188486092.db2.gz KKIOPLLFXFLBKA-AWEZNQCLSA-N 0 0 276.380 3.383 20 70 CGIDRN CC1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000160564802 188480287 /nfs/dbraw/zinc/48/02/87/188480287.db2.gz BUQBBXWRBDZPSP-UHFFFAOYSA-N 0 0 273.710 3.490 20 70 CGIDRN CCCc1cc(C(=O)NOCc2cccnc2)sc1C ZINC000160807515 188492864 /nfs/dbraw/zinc/49/28/64/188492864.db2.gz MNYLERRDTQTWCL-UHFFFAOYSA-N 0 0 290.388 3.266 20 70 CGIDRN Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)o1 ZINC000160863167 188495380 /nfs/dbraw/zinc/49/53/80/188495380.db2.gz MSNJKVDIPQFCAW-CYBMUJFWSA-N 0 0 277.364 3.200 20 70 CGIDRN COCCN(CC(C)C)c1nc2cc(F)ccc2o1 ZINC000160918584 188498158 /nfs/dbraw/zinc/49/81/58/188498158.db2.gz PGSFUXVGAYPESD-UHFFFAOYSA-N 0 0 266.316 3.076 20 70 CGIDRN CCc1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000161016710 188503671 /nfs/dbraw/zinc/50/36/71/188503671.db2.gz XJNNLSWYJVKYIY-JKSUJKDBSA-N 0 0 288.391 3.328 20 70 CGIDRN Cc1nnc(-c2ccccc2C(=O)N(C)CC(C)(C)C)o1 ZINC000161094645 188507549 /nfs/dbraw/zinc/50/75/49/188507549.db2.gz GDKLIUKHYQBLBY-UHFFFAOYSA-N 0 0 287.363 3.163 20 70 CGIDRN Cc1ccc2cc(C(=O)N[C@H](C)C[C@H]3CCCO3)ccc2n1 ZINC000161411019 188526805 /nfs/dbraw/zinc/52/68/05/188526805.db2.gz PRRBSIGBBCHKNI-CZUORRHYSA-N 0 0 298.386 3.231 20 70 CGIDRN CC[C@H]1CN(C(=O)[C@@H](C)Cc2ccccc2F)C[C@H](C)O1 ZINC000159781400 372180153 /nfs/dbraw/zinc/18/01/53/372180153.db2.gz IYPAMVJAGORJSR-YDHLFZDLSA-N 0 0 293.382 3.030 20 70 CGIDRN O=C(NCC(F)F)c1occc1-c1ccc(F)cc1 ZINC000159419441 372140730 /nfs/dbraw/zinc/14/07/30/372140730.db2.gz LICDRGZUNXFNLU-UHFFFAOYSA-N 0 0 269.222 3.081 20 70 CGIDRN C[C@@H](Oc1ccc(Cc2ccccc2)cc1)C(=O)NC1CC1 ZINC000159429345 372142857 /nfs/dbraw/zinc/14/28/57/372142857.db2.gz USFGGPYQTQHBOP-CQSZACIVSA-N 0 0 295.382 3.323 20 70 CGIDRN COCCC(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 ZINC000159475216 372147473 /nfs/dbraw/zinc/14/74/73/372147473.db2.gz IVCZZYJFDMEERY-MRVPVSSYSA-N 0 0 294.244 3.485 20 70 CGIDRN CC[C@@H](C(=O)NCCCCCOC)c1ccc(F)cc1 ZINC000159531000 372152229 /nfs/dbraw/zinc/15/22/29/372152229.db2.gz DBBANDQTVUIKLM-OAHLLOKOSA-N 0 0 281.371 3.252 20 70 CGIDRN NC(=O)[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000159546649 372154502 /nfs/dbraw/zinc/15/45/02/372154502.db2.gz ZIQLTHIQGKSDSV-SJORKVTESA-N 0 0 298.361 3.019 20 70 CGIDRN C[C@@H](NC(=O)N1CCC(C2CCOCC2)CC1)C(C)(C)C ZINC000159589606 372159206 /nfs/dbraw/zinc/15/92/06/372159206.db2.gz UUSRBOSSEUJMGV-CYBMUJFWSA-N 0 0 296.455 3.269 20 70 CGIDRN CCN(CC)c1ccc(NC(=O)C[C@@H](C)SC)cn1 ZINC000159601632 372161334 /nfs/dbraw/zinc/16/13/34/372161334.db2.gz ISANHTHBPIGNIQ-LLVKDONJSA-N 0 0 281.425 3.008 20 70 CGIDRN O=c1c2ccoc2ccn1Cc1noc(C2CCCCC2)n1 ZINC000159803200 372181711 /nfs/dbraw/zinc/18/17/11/372181711.db2.gz MOWMVGKASRDDGF-UHFFFAOYSA-N 0 0 299.330 3.074 20 70 CGIDRN CCCCn1ncc(NC(=O)N2CCC(C)CC2)c1C ZINC000159638718 372164929 /nfs/dbraw/zinc/16/49/29/372164929.db2.gz IRQLDWFDSAWONJ-UHFFFAOYSA-N 0 0 278.400 3.255 20 70 CGIDRN Cc1c(C(=O)Nc2cccc(F)c2F)cnn1CC(C)C ZINC000159667101 372165818 /nfs/dbraw/zinc/16/58/18/372165818.db2.gz OJHLNGVCSIKVSP-UHFFFAOYSA-N 0 0 293.317 3.378 20 70 CGIDRN COC(=O)c1ccc(CSCc2cc(C)on2)s1 ZINC000159679510 372167808 /nfs/dbraw/zinc/16/78/08/372167808.db2.gz CXGUENWTLZQGAN-UHFFFAOYSA-N 0 0 283.374 3.265 20 70 CGIDRN COc1ccc(CN2CCC[C@@H]2c2cccc(C)n2)cn1 ZINC000159711249 372171855 /nfs/dbraw/zinc/17/18/55/372171855.db2.gz PIIHAGSTGKNVLV-MRXNPFEDSA-N 0 0 283.375 3.131 20 70 CGIDRN Cc1cc(C)cc(CCC(=O)NCc2ccc(O)cc2)c1 ZINC000159714850 372172427 /nfs/dbraw/zinc/17/24/27/372172427.db2.gz LQYWAHBDYMVHRZ-UHFFFAOYSA-N 0 0 283.371 3.258 20 70 CGIDRN Cc1ccc(NC(=O)N(C)CCc2nccs2)cc1C ZINC000159737842 372174292 /nfs/dbraw/zinc/17/42/92/372174292.db2.gz QXVVOMXKTIDGIJ-UHFFFAOYSA-N 0 0 289.404 3.466 20 70 CGIDRN Cc1cccc2nc(CNC(=O)/C=C/C(C)(C)C)n(C)c21 ZINC000159812233 372182566 /nfs/dbraw/zinc/18/25/66/372182566.db2.gz MCURIEPJHMWXJJ-MDZDMXLPSA-N 0 0 285.391 3.100 20 70 CGIDRN CCOc1ccc(C(=O)NCC2(C3CC3)CC2)cc1OC ZINC000159787503 372179739 /nfs/dbraw/zinc/17/97/39/372179739.db2.gz AXNANWUHXPSHAP-UHFFFAOYSA-N 0 0 289.375 3.014 20 70 CGIDRN CCc1cc(NC(=O)[C@@H](CC)c2ccc(F)cc2)n(C)n1 ZINC000160074508 372208022 /nfs/dbraw/zinc/20/80/22/372208022.db2.gz HRZUHPZPNKKOQA-AWEZNQCLSA-N 0 0 289.354 3.254 20 70 CGIDRN CCc1noc(C)c1CSCC(=O)NC1CCCCC1 ZINC000160057421 372209121 /nfs/dbraw/zinc/20/91/21/372209121.db2.gz JWPZLDYKOQNCHH-UHFFFAOYSA-N 0 0 296.436 3.228 20 70 CGIDRN COc1cccc2c1CC[C@H]2NC(=O)CCCCSC ZINC000160075776 372211109 /nfs/dbraw/zinc/21/11/09/372211109.db2.gz HCWMTMWPDFRSNI-CQSZACIVSA-N 0 0 293.432 3.332 20 70 CGIDRN CC(C)[C@H](O)C(C)(C)CNc1nc(C(C)(C)C)ns1 ZINC000160098884 372213020 /nfs/dbraw/zinc/21/30/20/372213020.db2.gz XMOQJELTADUKGB-JTQLQIEISA-N 0 0 285.457 3.291 20 70 CGIDRN CCCCn1ncc(NC(=O)N2[C@H](C)CC[C@@H]2C)c1C ZINC000160109927 372214036 /nfs/dbraw/zinc/21/40/36/372214036.db2.gz HFYSKRLGLIRHRS-TXEJJXNPSA-N 0 0 278.400 3.396 20 70 CGIDRN CCCn1c(C)nnc1CN1CCC[C@@](C)(CCC)C1 ZINC000160105206 372214850 /nfs/dbraw/zinc/21/48/50/372214850.db2.gz DIHZPBAWKKFLEX-MRXNPFEDSA-N 0 0 278.444 3.399 20 70 CGIDRN CCCc1noc(CN2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160123780 372215897 /nfs/dbraw/zinc/21/58/97/372215897.db2.gz YFCOIGQPVWZXHT-CQSZACIVSA-N 0 0 286.379 3.063 20 70 CGIDRN COc1ccc(N(C)C(=O)[C@H](C)CSC)cc1Cl ZINC000160139819 372216496 /nfs/dbraw/zinc/21/64/96/372216496.db2.gz UPHAQKWMJUKMKZ-SECBINFHSA-N 0 0 287.812 3.311 20 70 CGIDRN Cc1nc(NC(=O)CCC2CCC2)cc(C2CC2)n1 ZINC000160146259 372218110 /nfs/dbraw/zinc/21/81/10/372218110.db2.gz QOCTZBHQRGGGJY-UHFFFAOYSA-N 0 0 259.353 3.181 20 70 CGIDRN CCO[C@@H](CC)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160145232 372218879 /nfs/dbraw/zinc/21/88/79/372218879.db2.gz IFCHGPRHPFAXBN-NEPJUHHUSA-N 0 0 267.394 3.057 20 70 CGIDRN C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc2c(c1)CCCC2 ZINC000160160809 372220680 /nfs/dbraw/zinc/22/06/80/372220680.db2.gz GXYJTTVPLRQIRH-SUMWQHHRSA-N 0 0 287.403 3.312 20 70 CGIDRN COc1ccc(C)cc1[C@H](C)NC(=O)C1=C(C)OCCC1 ZINC000160185520 372222552 /nfs/dbraw/zinc/22/25/52/372222552.db2.gz VLJFUZPHTAWECR-LBPRGKRZSA-N 0 0 289.375 3.265 20 70 CGIDRN CCOc1cccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160219906 372225847 /nfs/dbraw/zinc/22/58/47/372225847.db2.gz MCHPVQLAEVMPEG-OAHLLOKOSA-N 0 0 263.381 3.133 20 70 CGIDRN C[C@H](C(=O)N[C@H]1CCc2c1cccc2O)c1cccs1 ZINC000160234741 372227377 /nfs/dbraw/zinc/22/73/77/372227377.db2.gz SGFGLJPMHWHCAQ-GWCFXTLKSA-N 0 0 287.384 3.361 20 70 CGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)CCOc1ccccc1F ZINC000160236772 372227386 /nfs/dbraw/zinc/22/73/86/372227386.db2.gz TVSCYIWCUOFZBI-LRDDRELGSA-N 0 0 279.355 3.099 20 70 CGIDRN COCCC1(C(=O)N[C@@H]2CCc3ccccc32)CCCC1 ZINC000160261721 372231309 /nfs/dbraw/zinc/23/13/09/372231309.db2.gz HAUUGEXHKCQFAJ-MRXNPFEDSA-N 0 0 287.403 3.387 20 70 CGIDRN CCc1nnc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)[nH]1 ZINC000160275488 372233792 /nfs/dbraw/zinc/23/37/92/372233792.db2.gz GLLVXLKFWBIASR-OAHLLOKOSA-N 0 0 290.798 3.261 20 70 CGIDRN CS[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000160278708 372234258 /nfs/dbraw/zinc/23/42/58/372234258.db2.gz PELYTRQKTZWEIT-GFCCVEGCSA-N 0 0 278.421 3.367 20 70 CGIDRN CCc1noc(C)c1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000160337365 372239523 /nfs/dbraw/zinc/23/95/23/372239523.db2.gz KVVWBERSIIRRGV-UHFFFAOYSA-N 0 0 299.779 3.173 20 70 CGIDRN CC(C)c1nsc(N[C@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000160373653 372243053 /nfs/dbraw/zinc/24/30/53/372243053.db2.gz SZAWLLVJPHMHGE-WDEREUQCSA-N 0 0 267.398 3.031 20 70 CGIDRN Cc1cc(OCCCOc2cc(C)ccc2C)nn1C ZINC000159816225 372183009 /nfs/dbraw/zinc/18/30/09/372183009.db2.gz CBRDQLPWIJNCMS-UHFFFAOYSA-N 0 0 274.364 3.193 20 70 CGIDRN COc1ccccc1CN(C)C(=O)/C=C/c1cncc(C)c1 ZINC000159825413 372184899 /nfs/dbraw/zinc/18/48/99/372184899.db2.gz KNUZFKCMXKDTDQ-CMDGGOBGSA-N 0 0 296.370 3.070 20 70 CGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000159839571 372186995 /nfs/dbraw/zinc/18/69/95/372186995.db2.gz FLIIAIFRNYFMJC-ZFWWWQNUSA-N 0 0 265.784 3.435 20 70 CGIDRN COc1ccc(N(C)C(=O)c2oc(C)cc2C)cc1F ZINC000159861033 372189529 /nfs/dbraw/zinc/18/95/29/372189529.db2.gz OPAFUJXGRKECFS-UHFFFAOYSA-N 0 0 277.295 3.321 20 70 CGIDRN CCC[C@H](Nc1ccn(CCC(C)C)n1)C(=O)OCC ZINC000159895895 372191425 /nfs/dbraw/zinc/19/14/25/372191425.db2.gz TZYRRFNKCJISIL-ZDUSSCGKSA-N 0 0 281.400 3.073 20 70 CGIDRN CCN(C(=O)CCc1ccc(F)cc1F)C(C)C ZINC000159906218 372192707 /nfs/dbraw/zinc/19/27/07/372192707.db2.gz HGUXUCHZMDSPJF-UHFFFAOYSA-N 0 0 255.308 3.154 20 70 CGIDRN CC(C)CCn1ccc(N[C@@H](C)c2cccnc2)n1 ZINC000159899591 372192843 /nfs/dbraw/zinc/19/28/43/372192843.db2.gz GVGLGPZQUUDVRX-ZDUSSCGKSA-N 0 0 258.369 3.497 20 70 CGIDRN CC(C)CCn1ccc(NC(=O)N2CCC3(CCC3)C2)n1 ZINC000159932696 372194678 /nfs/dbraw/zinc/19/46/78/372194678.db2.gz GTAAUQJLIRWIEB-UHFFFAOYSA-N 0 0 290.411 3.337 20 70 CGIDRN CN(C(=O)[C@H](c1ccccc1)C1CC1)c1ccccn1 ZINC000159966940 372199244 /nfs/dbraw/zinc/19/92/44/372199244.db2.gz WLHXYRJYDYORNH-MRXNPFEDSA-N 0 0 266.344 3.238 20 70 CGIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc2c1CCC2 ZINC000159987482 372201893 /nfs/dbraw/zinc/20/18/93/372201893.db2.gz FSNPXMWUVYDPEW-HNNXBMFYSA-N 0 0 299.414 3.397 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)c1cc2ccccc2o1 ZINC000160044413 372206679 /nfs/dbraw/zinc/20/66/79/372206679.db2.gz OZTNLSFQEBWMMI-UHFFFAOYSA-N 0 0 255.317 3.353 20 70 CGIDRN CC1(C)CCCC[C@@H]1CC(=O)N1CCOCC1(C)C ZINC000160959334 372291355 /nfs/dbraw/zinc/29/13/55/372291355.db2.gz SUPAQSRKGPGTHC-CYBMUJFWSA-N 0 0 267.413 3.230 20 70 CGIDRN Cc1cccc(N(C)C(=O)c2ccc(F)c(Cl)c2)n1 ZINC000160975860 372293254 /nfs/dbraw/zinc/29/32/54/372293254.db2.gz JNHXFCWHZPVEDD-UHFFFAOYSA-N 0 0 278.714 3.459 20 70 CGIDRN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc[nH]c1)CCC2 ZINC000161007791 372294982 /nfs/dbraw/zinc/29/49/82/372294982.db2.gz XPWIAMSWUVEZHK-GFCCVEGCSA-N 0 0 289.404 3.183 20 70 CGIDRN CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)cc2)cn1 ZINC000161029402 372296044 /nfs/dbraw/zinc/29/60/44/372296044.db2.gz FHDMDVUSATYTNR-CYBMUJFWSA-N 0 0 298.386 3.272 20 70 CGIDRN CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161025250 372296652 /nfs/dbraw/zinc/29/66/52/372296652.db2.gz UKMFEVZJVVPEPG-QMTHXVAHSA-N 0 0 298.377 3.309 20 70 CGIDRN COc1ccc(C(C)(C)C(=O)N(C)CC(C)(C)C)cc1 ZINC000161093061 372300003 /nfs/dbraw/zinc/30/00/03/372300003.db2.gz GSGDIDGTTAFUCY-UHFFFAOYSA-N 0 0 277.408 3.477 20 70 CGIDRN COc1ccccc1CN(C)Cc1cnc2cc(C)ccn12 ZINC000160418059 372245517 /nfs/dbraw/zinc/24/55/17/372245517.db2.gz NLCMLHDXTUZLFP-UHFFFAOYSA-N 0 0 295.386 3.283 20 70 CGIDRN C[C@H](CC(=O)NCc1ccn(C)c1)c1ccc(F)cc1F ZINC000160424441 372246348 /nfs/dbraw/zinc/24/63/48/372246348.db2.gz WJJMFJMGHUIHRM-LLVKDONJSA-N 0 0 292.329 3.113 20 70 CGIDRN CC(C)(C)c1nnc(N[C@@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000160472975 372250649 /nfs/dbraw/zinc/25/06/49/372250649.db2.gz NHNPGHWJQWFJBF-GHMZBOCLSA-N 0 0 281.425 3.205 20 70 CGIDRN CCC[C@H](NCc1nnc(CC)[nH]1)c1ccc(F)cc1F ZINC000160504087 372254319 /nfs/dbraw/zinc/25/43/19/372254319.db2.gz QPFRYFOXEMGHFR-ZDUSSCGKSA-N 0 0 294.349 3.276 20 70 CGIDRN CCC(CC)CNC(=O)N(Cc1cccnc1)C1CC1 ZINC000160578188 372259376 /nfs/dbraw/zinc/25/93/76/372259376.db2.gz BBIRYNFOJCSZFC-UHFFFAOYSA-N 0 0 275.396 3.192 20 70 CGIDRN Cc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1O ZINC000160601506 372260776 /nfs/dbraw/zinc/26/07/76/372260776.db2.gz MBMWNWHGPNDCJB-UHFFFAOYSA-N 0 0 285.265 3.035 20 70 CGIDRN CC(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000160614360 372263466 /nfs/dbraw/zinc/26/34/66/372263466.db2.gz LPFMMYMWKAWUBE-UHFFFAOYSA-N 0 0 290.750 3.494 20 70 CGIDRN c1coc(CN(Cc2cc[nH]n2)Cc2cccs2)c1 ZINC000160665594 372266310 /nfs/dbraw/zinc/26/63/10/372266310.db2.gz ZZYCIQHIJIJTCX-UHFFFAOYSA-N 0 0 273.361 3.267 20 70 CGIDRN C[C@@H](O)C[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000160685212 372267886 /nfs/dbraw/zinc/26/78/86/372267886.db2.gz NQILZUHXTMPYLC-RRFJBIMHSA-N 0 0 277.408 3.094 20 70 CGIDRN CCc1nc(CC(=O)OCc2nc(C)sc2C)cs1 ZINC000160679327 372268257 /nfs/dbraw/zinc/26/82/57/372268257.db2.gz KFAYRHJGCPLHNR-UHFFFAOYSA-N 0 0 296.417 3.065 20 70 CGIDRN Cc1ccc(NC(=O)[C@H]2CCCCO2)c2cccnc12 ZINC000160706210 372269725 /nfs/dbraw/zinc/26/97/25/372269725.db2.gz ACUUDRHISCWPQB-CQSZACIVSA-N 0 0 270.332 3.051 20 70 CGIDRN CCc1cc(C)c(C(=O)Nc2c(C)nn(CC)c2C)o1 ZINC000160739909 372271604 /nfs/dbraw/zinc/27/16/04/372271604.db2.gz GPVIPBJFVGDXRX-UHFFFAOYSA-N 0 0 275.352 3.236 20 70 CGIDRN CCCC1(CNC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000160734595 372271883 /nfs/dbraw/zinc/27/18/83/372271883.db2.gz PMBTVQJAKOPNME-AWEZNQCLSA-N 0 0 273.376 3.249 20 70 CGIDRN CC(C)CC(CC(C)C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000160761816 372273306 /nfs/dbraw/zinc/27/33/06/372273306.db2.gz WIQGTOGWDRHVAQ-ZBFHGGJFSA-N 0 0 298.471 3.250 20 70 CGIDRN Cc1cccc(NC(=O)c2cc(F)cc3cccnc32)n1 ZINC000160747539 372273398 /nfs/dbraw/zinc/27/33/98/372273398.db2.gz DCGVNWYVSNFODS-UHFFFAOYSA-N 0 0 281.290 3.330 20 70 CGIDRN CCCC1(CN[C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000160774791 372275586 /nfs/dbraw/zinc/27/55/86/372275586.db2.gz DIDPREYSIZXVJX-AWEZNQCLSA-N 0 0 279.355 3.210 20 70 CGIDRN CCN(Cc1nccn1C)[C@H](C)c1ccc(F)cc1 ZINC000160807229 372277671 /nfs/dbraw/zinc/27/76/71/372277671.db2.gz OBBLAFXPXKTXDG-GFCCVEGCSA-N 0 0 261.344 3.142 20 70 CGIDRN C[C@H](c1nc(C2CCOCC2)no1)c1c(F)cccc1F ZINC000160868909 372283159 /nfs/dbraw/zinc/28/31/59/372283159.db2.gz QPIJMWBBBNRWNR-VIFPVBQESA-N 0 0 294.301 3.394 20 70 CGIDRN CCc1nnc(COc2ccc(OC)c3ccccc23)o1 ZINC000160912981 372287113 /nfs/dbraw/zinc/28/71/13/372287113.db2.gz YGALBPVITHWCRR-UHFFFAOYSA-N 0 0 284.315 3.373 20 70 CGIDRN CC[C@H](N[C@@H](C)C(=O)N(C(C)C)C(C)C)c1nccs1 ZINC000161175062 372307868 /nfs/dbraw/zinc/30/78/68/372307868.db2.gz MTTIKCFJBTYCNZ-STQMWFEESA-N 0 0 297.468 3.218 20 70 CGIDRN CCN(C(=O)/C=C/c1cncc(C)c1)C1CCCC1 ZINC000161211673 372309156 /nfs/dbraw/zinc/30/91/56/372309156.db2.gz DEVCBIYVEHHSTP-CMDGGOBGSA-N 0 0 258.365 3.194 20 70 CGIDRN CCOCCC1(C(=O)N[C@H]2CCc3ccccc32)CCC1 ZINC000161235861 372311251 /nfs/dbraw/zinc/31/12/51/372311251.db2.gz KIHBEBWJEOXWSE-INIZCTEOSA-N 0 0 287.403 3.387 20 70 CGIDRN C[C@H](NC(=O)NO[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000161242422 372312315 /nfs/dbraw/zinc/31/23/15/372312315.db2.gz AUFWWWATRQGQTR-GWCFXTLKSA-N 0 0 298.770 3.158 20 70 CGIDRN CCc1nc(-c2ccccc2NC(=O)[C@H](C)C2CC2)n[nH]1 ZINC000161263420 372312469 /nfs/dbraw/zinc/31/24/69/372312469.db2.gz FEWJTPVXCOYNQB-SNVBAGLBSA-N 0 0 284.363 3.019 20 70 CGIDRN Cc1cc(C(=O)NCCCOC(C)C)c(Cl)cc1F ZINC000161320218 372315865 /nfs/dbraw/zinc/31/58/65/372315865.db2.gz QSCVCJBTVZGIKS-UHFFFAOYSA-N 0 0 287.762 3.332 20 70 CGIDRN CC[C@H](C(=O)NC[C@H](C)SC)c1ccc(F)cc1 ZINC000161336410 372317400 /nfs/dbraw/zinc/31/74/00/372317400.db2.gz MXFWRTXUIAKCGO-GWCFXTLKSA-N 0 0 269.385 3.187 20 70 CGIDRN CS[C@H](C)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000161338749 372317507 /nfs/dbraw/zinc/31/75/07/372317507.db2.gz GWOKMUVICQSLNY-GHMZBOCLSA-N 0 0 299.823 3.071 20 70 CGIDRN O=C(C1CCC1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000161351488 372318356 /nfs/dbraw/zinc/31/83/56/372318356.db2.gz HTEKQHTWZPZTCI-GFCCVEGCSA-N 0 0 279.767 3.120 20 70 CGIDRN CC[C@H](SCC(=O)NC1CC1)c1ccc(F)cc1 ZINC000161342558 372318680 /nfs/dbraw/zinc/31/86/80/372318680.db2.gz HNSGTLCOIMQSNU-ZDUSSCGKSA-N 0 0 267.369 3.289 20 70 CGIDRN CSc1ccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000161402738 372321058 /nfs/dbraw/zinc/32/10/58/372321058.db2.gz WGCLOQQPYMCURG-GFCCVEGCSA-N 0 0 294.420 3.488 20 70 CGIDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCCC2)C1 ZINC000161434453 372323679 /nfs/dbraw/zinc/32/36/79/372323679.db2.gz QUGKYBCQPZZCQD-QWHCGFSZSA-N 0 0 270.442 3.245 20 70 CGIDRN O=C(CC(F)(F)F)N1CCc2c1cccc2Cl ZINC000161433548 372323833 /nfs/dbraw/zinc/32/38/33/372323833.db2.gz WQQFWDUCPCKJON-UHFFFAOYSA-N 0 0 263.646 3.182 20 70 CGIDRN CC(C)(C)C[C@@H](CO)Nc1cccc(C(F)(F)F)n1 ZINC000161425403 372324256 /nfs/dbraw/zinc/32/42/56/372324256.db2.gz CSFOSOXQFLCAJG-VIFPVBQESA-N 0 0 276.302 3.309 20 70 CGIDRN Cc1cncc(/C=C/C(=O)N(C)[C@H](C)c2ccco2)c1 ZINC000161135452 372303604 /nfs/dbraw/zinc/30/36/04/372303604.db2.gz DZIXJRXLZPEOJV-KTRBRXNASA-N 0 0 270.332 3.216 20 70 CGIDRN C[C@H]1Sc2ccccc2N(Cc2nccn2C)[C@@H]1C ZINC000161128827 372303740 /nfs/dbraw/zinc/30/37/40/372303740.db2.gz BWIALLCXSNBBIW-VXGBXAGGSA-N 0 0 273.405 3.309 20 70 CGIDRN OCc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1 ZINC000218007749 376182396 /nfs/dbraw/zinc/18/23/96/376182396.db2.gz ZDEHGZZXNFJMDU-UHFFFAOYSA-N 0 0 289.766 3.112 20 70 CGIDRN Cc1ccc(NC(=O)N[C@@H](C)C2CCC2)c(F)c1 ZINC000159440148 542149567 /nfs/dbraw/zinc/14/95/67/542149567.db2.gz PNPOOLANUHICHW-JTQLQIEISA-N 0 0 250.317 3.444 20 70 CGIDRN C[C@H](NC(=O)Nc1ccc(F)c(F)c1)C1CCC1 ZINC000159386066 542149665 /nfs/dbraw/zinc/14/96/65/542149665.db2.gz HONSACHHQZJXFZ-QMMMGPOBSA-N 0 0 254.280 3.275 20 70 CGIDRN CCN(C(=O)Nc1ccnc(C)c1Cl)C1CC1 ZINC000159576571 542150195 /nfs/dbraw/zinc/15/01/95/542150195.db2.gz OAKHGYQOPCDGJO-UHFFFAOYSA-N 0 0 253.733 3.060 20 70 CGIDRN COc1ccc(NC(=O)N(C)c2c(C)noc2C)c(C)c1 ZINC000159681352 542150453 /nfs/dbraw/zinc/15/04/53/542150453.db2.gz YIIHZEUXJBTWCF-UHFFFAOYSA-N 0 0 289.335 3.277 20 70 CGIDRN C[C@@H](CC(=O)N1CCC[C@@H]1C1CCC1)c1ccncc1 ZINC000159950389 542152061 /nfs/dbraw/zinc/15/20/61/542152061.db2.gz RDZKMEBGPYSYOG-XJKSGUPXSA-N 0 0 272.392 3.366 20 70 CGIDRN Cc1nccc(NC(=O)NCC[C@@H]2CCCCO2)c1Cl ZINC000160043461 542152423 /nfs/dbraw/zinc/15/24/23/542152423.db2.gz FUCGYFJQAKKBKI-NSHDSACASA-N 0 0 297.786 3.124 20 70 CGIDRN 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372157307 /nfs/dbraw/zinc/15/73/07/372157307.db2.gz LZIOJLVRMWRYBZ-JMSVASOKSA-N 0 0 283.375 3.356 20 70 CGIDRN O=C(OCc1cncs1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000159580351 372157952 /nfs/dbraw/zinc/15/79/52/372157952.db2.gz IDQWMDNGFYAXLZ-WDEREUQCSA-N 0 0 295.310 3.268 20 70 CGIDRN CCC1(CO)CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000159602217 372161474 /nfs/dbraw/zinc/16/14/74/372161474.db2.gz ZOZASPVCJVTGLJ-UHFFFAOYSA-N 0 0 299.773 3.104 20 70 CGIDRN Cc1cc(CN(C)C(=O)[C@@H](C)c2cccc(C)c2)no1 ZINC000159636417 372163110 /nfs/dbraw/zinc/16/31/10/372163110.db2.gz SVIYIKNZSBRKAP-ZDUSSCGKSA-N 0 0 272.348 3.054 20 70 CGIDRN Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000159804997 372181818 /nfs/dbraw/zinc/18/18/18/372181818.db2.gz URUXBLGSNPKWBH-OAHLLOKOSA-N 0 0 273.376 3.217 20 70 CGIDRN CCCCCc1nnc(NC(=O)c2cccc(F)n2)s1 ZINC000159661795 372166745 /nfs/dbraw/zinc/16/67/45/372166745.db2.gz NSTZZBYVQGJAOJ-UHFFFAOYSA-N 0 0 294.355 3.057 20 70 CGIDRN CC1(CNC(=O)N2CCc3cccc(F)c3C2)CCC1 ZINC000159686393 372168017 /nfs/dbraw/zinc/16/80/17/372168017.db2.gz ZCISAZPDYLZCPO-UHFFFAOYSA-N 0 0 276.355 3.084 20 70 CGIDRN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccn(C3CCCC3)n2)n[nH]1 ZINC000159681506 372168276 /nfs/dbraw/zinc/16/82/76/372168276.db2.gz CJARMIJZYVGOFT-PWSUYJOCSA-N 0 0 299.378 3.097 20 70 CGIDRN Cc1cc(C)cc(-c2cc(NC(=O)[C@@H]3CC[C@@H](C)O3)n[nH]2)c1 ZINC000159696727 372170276 /nfs/dbraw/zinc/17/02/76/372170276.db2.gz SOHUMAZBMLTTCB-DOMZBBRYSA-N 0 0 299.374 3.200 20 70 CGIDRN CCn1c(=O)c2cc(F)ccc2nc1SC(C)C ZINC000159697172 372170482 /nfs/dbraw/zinc/17/04/82/372170482.db2.gz FXPPIYIWTJTCPI-UHFFFAOYSA-N 0 0 266.341 3.056 20 70 CGIDRN Cc1ccnc(N(C)Cc2nccn2Cc2ccccc2)c1 ZINC000159703101 372171238 /nfs/dbraw/zinc/17/12/38/372171238.db2.gz FLIDPHNZJZQVBH-UHFFFAOYSA-N 0 0 292.386 3.271 20 70 CGIDRN c1ccc(Cc2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159736405 372173448 /nfs/dbraw/zinc/17/34/48/372173448.db2.gz ZMZKCMCLJAFXAD-HOTGVXAUSA-N 0 0 297.402 3.425 20 70 CGIDRN 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CCc1nnc(CN2CC=C(c3ccc(CC)cc3)CC2)[nH]1 ZINC000160241851 372228949 /nfs/dbraw/zinc/22/89/49/372228949.db2.gz LJHZZLZTGGHVAY-UHFFFAOYSA-N 0 0 296.418 3.219 20 70 CGIDRN CCc1oc(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1C ZINC000160274663 372231524 /nfs/dbraw/zinc/23/15/24/372231524.db2.gz ATNHQFUBCBIQJC-ZDUSSCGKSA-N 0 0 291.391 3.372 20 70 CGIDRN Cc1ccsc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160376134 372242755 /nfs/dbraw/zinc/24/27/55/372242755.db2.gz ARWBUTQDKTXVBS-UHFFFAOYSA-N 0 0 275.329 3.062 20 70 CGIDRN O=C(N[C@@H]1CCSc2c(F)cccc21)[C@H]1CCCCO1 ZINC000160308167 372235428 /nfs/dbraw/zinc/23/54/28/372235428.db2.gz KPKVXIQJMMCRGL-CHWSQXEVSA-N 0 0 295.379 3.048 20 70 CGIDRN CC(C)(C)c1ccc(=O)n(CC(=O)CCC2CCCC2)n1 ZINC000160385777 372242876 /nfs/dbraw/zinc/24/28/76/372242876.db2.gz HFSHFJMCFQDLAZ-UHFFFAOYSA-N 0 0 290.407 3.080 20 70 CGIDRN Cc1cc(C(=O)Nc2cccc(OCCC(C)C)c2)ncn1 ZINC000160292677 372235637 /nfs/dbraw/zinc/23/56/37/372235637.db2.gz XFVFWQUHZARIHV-UHFFFAOYSA-N 0 0 299.374 3.462 20 70 CGIDRN CC(C)Oc1cncc(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000160307896 372236208 /nfs/dbraw/zinc/23/62/08/372236208.db2.gz UOFUUAZRZKYOSW-KRWDZBQOSA-N 0 0 296.370 3.286 20 70 CGIDRN CCc1noc(C)c1CS(=O)(=O)c1ccc(C)c(C)c1 ZINC000160342719 372238871 /nfs/dbraw/zinc/23/88/71/372238871.db2.gz VRACIOAVBMEJGL-UHFFFAOYSA-N 0 0 293.388 3.136 20 70 CGIDRN Cc1cccc2nc(CN[C@@H](C)c3cncc(F)c3)cn21 ZINC000160327476 372238896 /nfs/dbraw/zinc/23/88/96/372238896.db2.gz ONZLLGJJXZYCEE-LBPRGKRZSA-N 0 0 284.338 3.028 20 70 CGIDRN CCCN(CC(=O)OC(C)(C)C)[C@H](C)c1ccccn1 ZINC000160327800 372239082 /nfs/dbraw/zinc/23/90/82/372239082.db2.gz REZHPULHJMKCTG-CYBMUJFWSA-N 0 0 278.396 3.196 20 70 CGIDRN CS[C@@H](C)CC(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000159818733 372183144 /nfs/dbraw/zinc/18/31/44/372183144.db2.gz FAXUQAUBSUEPQO-JTQLQIEISA-N 0 0 280.393 3.034 20 70 CGIDRN O=C(CCCc1cccs1)NCC1(C2CC2)CC1 ZINC000159832667 372185353 /nfs/dbraw/zinc/18/53/53/372185353.db2.gz SHPTXPVZEJPHKP-UHFFFAOYSA-N 0 0 263.406 3.377 20 70 CGIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccnn1Cc1ccccc1 ZINC000159844912 372187065 /nfs/dbraw/zinc/18/70/65/372187065.db2.gz VPBNSEINBRJWPY-PBHICJAKSA-N 0 0 283.375 3.306 20 70 CGIDRN Cc1c(C(=O)N(C)[C@@H](C)c2ccco2)cnn1CC(C)C ZINC000159869529 372188497 /nfs/dbraw/zinc/18/84/97/372188497.db2.gz RDILAUKVKYSRJA-ZDUSSCGKSA-N 0 0 289.379 3.274 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159862155 372188530 /nfs/dbraw/zinc/18/85/30/372188530.db2.gz HVOZDSSLVPNOBI-TZMCWYRMSA-N 0 0 291.341 3.375 20 70 CGIDRN Cc1c(C(=O)N(C)[C@H](C)c2ccco2)cnn1CC(C)C ZINC000159869654 372189283 /nfs/dbraw/zinc/18/92/83/372189283.db2.gz RDILAUKVKYSRJA-CYBMUJFWSA-N 0 0 289.379 3.274 20 70 CGIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000159878255 372191467 /nfs/dbraw/zinc/19/14/67/372191467.db2.gz FSCLVZLNEIKKDG-JOYOIKCWSA-N 0 0 283.169 3.219 20 70 CGIDRN Cn1ccnc1SCC(=O)CCC1CCCC1 ZINC000159916730 372192377 /nfs/dbraw/zinc/19/23/77/372192377.db2.gz HIYQCBJUAFASNM-UHFFFAOYSA-N 0 0 252.383 3.052 20 70 CGIDRN CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(C)cc2)CCO1 ZINC000159952113 372197870 /nfs/dbraw/zinc/19/78/70/372197870.db2.gz UYGMAGIXODDUMS-GDBMZVCRSA-N 0 0 290.407 3.267 20 70 CGIDRN O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCCO1 ZINC000159980885 372199445 /nfs/dbraw/zinc/19/94/45/372199445.db2.gz BRSDZUIAKAYSCH-ZDUSSCGKSA-N 0 0 288.372 3.318 20 70 CGIDRN CCC(C)(C)NC(=O)Nc1ccn(CCC(C)C)n1 ZINC000159974284 372199747 /nfs/dbraw/zinc/19/97/47/372199747.db2.gz WYFJQCPIDUPRPI-UHFFFAOYSA-N 0 0 266.389 3.239 20 70 CGIDRN CC(C)(C)c1csc(-c2cccc(OCCO)c2)n1 ZINC000160005653 372203741 /nfs/dbraw/zinc/20/37/41/372203741.db2.gz AAXUSTOOWHHTRG-UHFFFAOYSA-N 0 0 277.389 3.479 20 70 CGIDRN CCCCNC(=O)[C@@H](C)SCc1c(C)onc1CC ZINC000160018728 372204815 /nfs/dbraw/zinc/20/48/15/372204815.db2.gz AZJWMVWPDMPTEU-LLVKDONJSA-N 0 0 284.425 3.083 20 70 CGIDRN Cc1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1C ZINC000160936406 372289287 /nfs/dbraw/zinc/28/92/87/372289287.db2.gz ZLXCXHJSLOXBJG-JKSUJKDBSA-N 0 0 288.391 3.383 20 70 CGIDRN 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CCCN1CCC[C@H]1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000161320852 528231740 /nfs/dbraw/zinc/23/17/40/528231740.db2.gz DQFYPXTVBHTXMM-HNNXBMFYSA-N 0 0 288.391 3.092 20 70 CGIDRN CCOCCC1(C(=O)NCCCc2ccccc2)CCC1 ZINC000160622560 528603999 /nfs/dbraw/zinc/60/39/99/528603999.db2.gz ZDTORGWQQRDTFD-UHFFFAOYSA-N 0 0 289.419 3.332 20 70 CGIDRN CCCCn1ncc(C(=O)Nc2cc(C)ns2)c1C ZINC000159884038 529100366 /nfs/dbraw/zinc/10/03/66/529100366.db2.gz KUZMHRRZQMZUNH-UHFFFAOYSA-N 0 0 278.381 3.009 20 70 CGIDRN CCCCn1ncc(C(=O)Nc2ncc(C)s2)c1C ZINC000159705944 529101112 /nfs/dbraw/zinc/10/11/12/529101112.db2.gz HDAUQCDOWMAAKX-UHFFFAOYSA-N 0 0 278.381 3.009 20 70 CGIDRN CC[C@H](C)[C@@H](NCc1ccc(Cl)cc1F)C(=O)OC ZINC000160743439 529219145 /nfs/dbraw/zinc/21/91/45/529219145.db2.gz XRGFSGGSZJGCEB-TVQRCGJNSA-N 0 0 287.762 3.156 20 70 CGIDRN CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(F)cc1 ZINC000216707386 571947035 /nfs/dbraw/zinc/94/70/35/571947035.db2.gz SEZDWMGFHHDCAA-ZIAGYGMSSA-N 0 0 292.398 3.157 20 70 CGIDRN COC(=O)C1(NCc2c(F)cccc2Cl)CCCCC1 ZINC000217095403 571947227 /nfs/dbraw/zinc/94/72/27/571947227.db2.gz WWEDSEXGNPFOKD-UHFFFAOYSA-N 0 0 299.773 3.445 20 70 CGIDRN CN(CCNC(=O)NC1CCCCCC1)c1ccccc1 ZINC000217654852 572869212 /nfs/dbraw/zinc/86/92/12/572869212.db2.gz LWWCWBSMOANJOE-UHFFFAOYSA-N 0 0 289.423 3.145 20 70 CGIDRN COc1ccc2nc(N(C)CC3CCOCC3)ccc2c1 ZINC000161292697 572883310 /nfs/dbraw/zinc/88/33/10/572883310.db2.gz YGXGSGARCXUGQO-UHFFFAOYSA-N 0 0 286.375 3.106 20 70 CGIDRN CS[C@H](C)CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000161311401 295660549 /nfs/dbraw/zinc/66/05/49/295660549.db2.gz TYLGBMJJSAYHDT-OCCSQVGLSA-N 0 0 295.448 3.411 20 70 CGIDRN CCc1cc(C(=O)N(C)c2cccc(C)n2)oc1CC ZINC000160975121 529510739 /nfs/dbraw/zinc/51/07/39/529510739.db2.gz VXLLTBLDQXBFOD-UHFFFAOYSA-N 0 0 272.348 3.384 20 70 CGIDRN COc1ccc(C)cc1[C@H](C)OC(=O)[C@]1(C)CCCO1 ZINC000160120565 232242363 /nfs/dbraw/zinc/24/23/63/232242363.db2.gz IZOCFPPAHIHHIV-LRDDRELGSA-N 0 0 278.348 3.177 20 70 CGIDRN Cc1cc(Oc2ccc(NC(=O)c3ncoc3C)cc2)n[nH]1 ZINC000160491062 232245658 /nfs/dbraw/zinc/24/56/58/232245658.db2.gz FMNZGRJQGMTPCH-UHFFFAOYSA-N 0 0 298.302 3.059 20 70 CGIDRN COCCC1(CNC(=O)N2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000161002283 232247881 /nfs/dbraw/zinc/24/78/81/232247881.db2.gz NJNBWNUPAUPHMF-CQSZACIVSA-N 0 0 296.455 3.413 20 70 CGIDRN CC[C@H](Nc1ccn(CCOC)n1)c1ccc(F)cc1F ZINC000160927107 346172800 /nfs/dbraw/zinc/17/28/00/346172800.db2.gz AJUFVKMJHVNBTF-AWEZNQCLSA-N 0 0 295.333 3.371 20 70 CGIDRN Cc1nc(C2(NCc3cccc(F)c3)CCCC2)no1 ZINC000161369178 346175113 /nfs/dbraw/zinc/17/51/13/346175113.db2.gz CVENJFBFBAVSIL-UHFFFAOYSA-N 0 0 275.327 3.076 20 70 CGIDRN CC[C@H](SCCC(N)=O)c1ccc(F)cc1F ZINC000161368151 346175201 /nfs/dbraw/zinc/17/52/01/346175201.db2.gz JZUSNLOHHITOKP-NSHDSACASA-N 0 0 259.321 3.025 20 70 CGIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(F)c1F ZINC000159941417 188448121 /nfs/dbraw/zinc/44/81/21/188448121.db2.gz KHUCJGDOLFCICV-LLVKDONJSA-N 0 0 295.329 3.186 20 70 CGIDRN CSCCC(=O)Nc1cc(F)ccc1OC(F)F ZINC000159436249 188426030 /nfs/dbraw/zinc/42/60/30/188426030.db2.gz WVXSZYGIHANXHY-UHFFFAOYSA-N 0 0 279.283 3.119 20 70 CGIDRN Cc1ccc(CNC(=O)NC[C@@]2(C)CCCS2)s1 ZINC000159970922 188449000 /nfs/dbraw/zinc/44/90/00/188449000.db2.gz XHSGETXVODSOPR-CYBMUJFWSA-N 0 0 284.450 3.141 20 70 CGIDRN O=C(NCCC1=CCCC1)c1ccc(F)c(F)c1F ZINC000160169012 188458597 /nfs/dbraw/zinc/45/85/97/188458597.db2.gz TYQDIEWIQPRNPA-UHFFFAOYSA-N 0 0 269.266 3.334 20 70 CGIDRN CC[C@@H](C)C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000160254013 188461714 /nfs/dbraw/zinc/46/17/14/188461714.db2.gz QEJXOGYJHKTSGR-SECBINFHSA-N 0 0 255.745 3.358 20 70 CGIDRN CC(=O)c1csc(C(=O)NCCC2=CCCC2)c1 ZINC000160260198 188462012 /nfs/dbraw/zinc/46/20/12/188462012.db2.gz XUUQROVQUJTNIF-UHFFFAOYSA-N 0 0 263.362 3.181 20 70 CGIDRN O=C(CC1CC1)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160400019 188471002 /nfs/dbraw/zinc/47/10/02/188471002.db2.gz GNWCUVFAGPBABN-NSHDSACASA-N 0 0 259.227 3.028 20 70 CGIDRN Cc1nc2ccccc2nc1N[C@@H]1CCOC(C)(C)C1 ZINC000160676087 188486090 /nfs/dbraw/zinc/48/60/90/188486090.db2.gz XKPZUYDYFNMDPD-GFCCVEGCSA-N 0 0 271.364 3.308 20 70 CGIDRN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCCCO1 ZINC000160701900 188487249 /nfs/dbraw/zinc/48/72/49/188487249.db2.gz ITNHGUMNSRPBDY-NSHDSACASA-N 0 0 289.253 3.093 20 70 CGIDRN CC[C@H](NC(=O)c1ccc(C)nc1C)c1c(C)noc1C ZINC000160697126 188487392 /nfs/dbraw/zinc/48/73/92/188487392.db2.gz LZEBWYRVCSPWPV-AWEZNQCLSA-N 0 0 287.363 3.184 20 70 CGIDRN Cc1cccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1C ZINC000160932278 188498955 /nfs/dbraw/zinc/49/89/55/188498955.db2.gz RPRVHUVMQBXITO-GOEBONIOSA-N 0 0 288.391 3.383 20 70 CGIDRN CC[C@H](C(=O)N(C)CCOCC1CC1)c1ccc(F)cc1 ZINC000160965807 188500443 /nfs/dbraw/zinc/50/04/43/188500443.db2.gz JJQKBUHEKMEJGC-INIZCTEOSA-N 0 0 293.382 3.204 20 70 CGIDRN CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC(C)C ZINC000161007101 188502853 /nfs/dbraw/zinc/50/28/53/188502853.db2.gz PUPPJDAZTJZPOO-LLVKDONJSA-N 0 0 294.420 3.040 20 70 CGIDRN CCc1noc(C)c1C[S@@](=O)c1cc(C)ccc1C ZINC000161039441 188504407 /nfs/dbraw/zinc/50/44/07/188504407.db2.gz JBAQSKZNMUWQHE-IBGZPJMESA-N 0 0 277.389 3.470 20 70 CGIDRN CCOc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1Cl ZINC000161316020 188521241 /nfs/dbraw/zinc/52/12/41/188521241.db2.gz QHPSALJCOYRNKF-AWEZNQCLSA-N 0 0 298.770 3.039 20 70 CGIDRN CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000159618616 283296010 /nfs/dbraw/zinc/29/60/10/283296010.db2.gz OKKSIFOISPTULL-WMLDXEAASA-N 0 0 287.403 3.431 20 70 CGIDRN CCc1noc(C)c1CNc1cc(C(=O)OC)ccc1F ZINC000159367819 372135767 /nfs/dbraw/zinc/13/57/67/372135767.db2.gz MWMQQFOQWOAMHT-UHFFFAOYSA-N 0 0 292.310 3.083 20 70 CGIDRN Cc1csc(CNC(=O)[C@@H](C)c2cccc(C)c2)n1 ZINC000159382203 372137232 /nfs/dbraw/zinc/13/72/32/372137232.db2.gz LCWKREGTPZAQLM-LBPRGKRZSA-N 0 0 274.389 3.180 20 70 CGIDRN C[C@H]1CCC[C@H](C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000159394538 372139613 /nfs/dbraw/zinc/13/96/13/372139613.db2.gz ZPLGKPFCOPCGSE-HOCLYGCPSA-N 0 0 297.402 3.315 20 70 CGIDRN CCC[C@H](O)CNC(=O)CCC(C)(C)c1ccccc1 ZINC000159393455 372139960 /nfs/dbraw/zinc/13/99/60/372139960.db2.gz WWHGQFKWMSZMGR-HNNXBMFYSA-N 0 0 277.408 3.022 20 70 CGIDRN C[C@@H](O)C[C@@H](CNC(=O)c1cccs1)c1ccccc1 ZINC000159777894 372180417 /nfs/dbraw/zinc/18/04/17/372180417.db2.gz LAJIDUAWXOSYCH-OCCSQVGLSA-N 0 0 289.400 3.033 20 70 CGIDRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CCc2ccccc21 ZINC000159441213 372144536 /nfs/dbraw/zinc/14/45/36/372144536.db2.gz IYFRUGVGGFNGDH-AWEZNQCLSA-N 0 0 283.375 3.259 20 70 CGIDRN Cc1onc(-c2ccccn2)c1C(=O)N1CCCC[C@@H]1C ZINC000159464788 372146474 /nfs/dbraw/zinc/14/64/74/372146474.db2.gz VVWKTQJZZLGOIR-NSHDSACASA-N 0 0 285.347 3.060 20 70 CGIDRN CCOCCC1(CNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000159477463 372147749 /nfs/dbraw/zinc/14/77/49/372147749.db2.gz PTKDCQGAJGMWTA-KGLIPLIRSA-N 0 0 267.413 3.136 20 70 CGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(CCOC)Cc1ccccc1 ZINC000159475119 372148081 /nfs/dbraw/zinc/14/80/81/372148081.db2.gz IFRLTPHDHVIXBS-RDJZCZTQSA-N 0 0 275.392 3.098 20 70 CGIDRN CC[C@@H](N[C@@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489391 372149056 /nfs/dbraw/zinc/14/90/56/372149056.db2.gz JIEDODWTHFIJPB-SWLSCSKDSA-N 0 0 279.380 3.076 20 70 CGIDRN Nc1ccc2c(c1)CCC[C@@H]2Nc1nc(C2CC2)ns1 ZINC000159501951 372150632 /nfs/dbraw/zinc/15/06/32/372150632.db2.gz FNTJKJDUSLIFAA-ZDUSSCGKSA-N 0 0 286.404 3.487 20 70 CGIDRN O=C(Nc1ccccn1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159541489 372153712 /nfs/dbraw/zinc/15/37/12/372153712.db2.gz BZMKRCGJDDOBQN-ZYHUDNBSSA-N 0 0 274.270 3.102 20 70 CGIDRN CCC(CC)(CC)CNC(=O)N(C)C[C@H]1CCCCO1 ZINC000159547684 372154421 /nfs/dbraw/zinc/15/44/21/372154421.db2.gz GZZSFPXORFLZLF-CQSZACIVSA-N 0 0 284.444 3.413 20 70 CGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2cccnc2)on1 ZINC000159591833 372158644 /nfs/dbraw/zinc/15/86/44/372158644.db2.gz XMTDKIXEHHPZHW-YPMHNXCESA-N 0 0 285.347 3.045 20 70 CGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000159606599 372160804 /nfs/dbraw/zinc/16/08/04/372160804.db2.gz HVCQRGKDBRISCM-AAEUAGOBSA-N 0 0 287.363 3.148 20 70 CGIDRN C[C@H](NC(=O)CC(F)(F)F)c1ccccc1-n1cccn1 ZINC000159618833 372161718 /nfs/dbraw/zinc/16/17/18/372161718.db2.gz UFQLUKWEMGTSTE-JTQLQIEISA-N 0 0 297.280 3.002 20 70 CGIDRN COc1cccc(SCC(=O)NCC2(C3CC3)CC2)c1 ZINC000159663212 372166299 /nfs/dbraw/zinc/16/62/99/372166299.db2.gz WZQWXKAYHKNGCE-UHFFFAOYSA-N 0 0 291.416 3.094 20 70 CGIDRN CCC1(CNC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159684347 372167755 /nfs/dbraw/zinc/16/77/55/372167755.db2.gz JOLUOJLFRMSPKB-UHFFFAOYSA-N 0 0 276.355 3.084 20 70 CGIDRN CO[C@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ns1 ZINC000159674717 372167919 /nfs/dbraw/zinc/16/79/19/372167919.db2.gz IJIAYVAGJAGLRO-UWVGGRQHSA-N 0 0 269.414 3.205 20 70 CGIDRN CCN(CCCNC(=O)c1[nH]c(C)cc1C)c1ccccc1 ZINC000159697404 372169673 /nfs/dbraw/zinc/16/96/73/372169673.db2.gz UOKLLQWYMQCBSG-UHFFFAOYSA-N 0 0 299.418 3.278 20 70 CGIDRN CC(C)[C@@H](O)CNC(=O)c1ccccc1Cc1ccccc1 ZINC000159710658 372171296 /nfs/dbraw/zinc/17/12/96/372171296.db2.gz UULBXVWRWKBQPZ-SFHVURJKSA-N 0 0 297.398 3.024 20 70 CGIDRN CCCc1ncc(C(=O)NCC2(C3CC3)CC2)s1 ZINC000159722684 372174057 /nfs/dbraw/zinc/17/40/57/372174057.db2.gz VIHQCYBEESXLRD-UHFFFAOYSA-N 0 0 264.394 3.016 20 70 CGIDRN CC(C)[C@H](O)CNC(=O)C1CCC(c2ccccc2)CC1 ZINC000159748533 372175230 /nfs/dbraw/zinc/17/52/30/372175230.db2.gz VHYGRWDLRNOCLX-OFLPRAFFSA-N 0 0 289.419 3.094 20 70 CGIDRN CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc(C(C)C)on2)C1(C)C ZINC000159748132 372175733 /nfs/dbraw/zinc/17/57/33/372175733.db2.gz KZDUMBHLSJECLB-BBRMVZONSA-N 0 0 294.395 3.074 20 70 CGIDRN Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000159772652 372177766 /nfs/dbraw/zinc/17/77/66/372177766.db2.gz PEJQPCWNULNQJX-KFWWJZLASA-N 0 0 293.794 3.336 20 70 CGIDRN O=C(CSc1ccccc1)NCC1(C2CC2)CC1 ZINC000159760824 372178084 /nfs/dbraw/zinc/17/80/84/372178084.db2.gz OZOIEXXCVRJRHR-UHFFFAOYSA-N 0 0 261.390 3.085 20 70 CGIDRN CC(C)(CNC(=O)Nc1nccs1)C1CCCC1 ZINC000159807547 372182657 /nfs/dbraw/zinc/18/26/57/372182657.db2.gz MAIWCXFRINJAKH-UHFFFAOYSA-N 0 0 267.398 3.481 20 70 CGIDRN CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c(C)noc1Cl ZINC000160102753 372213164 /nfs/dbraw/zinc/21/31/64/372213164.db2.gz FFCKKOKJFRFYLT-JQWIXIFHSA-N 0 0 284.787 3.264 20 70 CGIDRN CCCc1nc(CSCCc2c(C)noc2C)no1 ZINC000160134711 372215849 /nfs/dbraw/zinc/21/58/49/372215849.db2.gz IMGWMJMGXGYTBL-UHFFFAOYSA-N 0 0 281.381 3.103 20 70 CGIDRN CC[C@H](C)OCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000160174828 372220725 /nfs/dbraw/zinc/22/07/25/372220725.db2.gz HYCZQDDFOLCRIU-ZETCQYMHSA-N 0 0 291.178 3.329 20 70 CGIDRN CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160223419 372225703 /nfs/dbraw/zinc/22/57/03/372225703.db2.gz LTSNVTMEUBMCEH-LRDDRELGSA-N 0 0 290.407 3.253 20 70 CGIDRN CC[C@H](NC(=O)CC1CCC1)c1c(C)noc1C ZINC000160264150 372231143 /nfs/dbraw/zinc/23/11/43/372231143.db2.gz RUUMRKLYDACEOU-LBPRGKRZSA-N 0 0 250.342 3.049 20 70 CGIDRN CC(C)(CO)CCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000160387387 372242703 /nfs/dbraw/zinc/24/27/03/372242703.db2.gz PFQHGGTUTYLOJX-RMKNXTFCSA-N 0 0 295.810 3.268 20 70 CGIDRN CC(C)c1cccc(NC(=O)N[C@H]2CC[C@H](O)CC2)c1 ZINC000160284085 372234305 /nfs/dbraw/zinc/23/43/05/372234305.db2.gz OCAPVSBMTPIVOX-OTVXOJSOSA-N 0 0 276.380 3.235 20 70 CGIDRN Clc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)ccn1 ZINC000160300127 372235649 /nfs/dbraw/zinc/23/56/49/372235649.db2.gz SEUJDUXDPQZMOB-NWDGAFQWSA-N 0 0 252.745 3.105 20 70 CGIDRN CN(C)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000159818191 372182934 /nfs/dbraw/zinc/18/29/34/372182934.db2.gz UZHNZGSHHVCVAW-UHFFFAOYSA-N 0 0 287.363 3.027 20 70 CGIDRN CC(C)(C)c1nsc(N2CCCC[C@H]2c2ncc[nH]2)n1 ZINC000159844914 372187345 /nfs/dbraw/zinc/18/73/45/372187345.db2.gz VXRCWWLLKMJHSJ-JTQLQIEISA-N 0 0 291.424 3.290 20 70 CGIDRN C[C@@H](Sc1ccncc1)C(=O)N(C)c1ccccc1 ZINC000159869763 372189412 /nfs/dbraw/zinc/18/94/12/372189412.db2.gz IUTNTSROIGEEBJ-GFCCVEGCSA-N 0 0 272.373 3.225 20 70 CGIDRN CCOc1ccccc1CCC(=O)NCC1(C2CC2)CC1 ZINC000159900088 372192191 /nfs/dbraw/zinc/19/21/91/372192191.db2.gz PMHNISHWUQOMSG-UHFFFAOYSA-N 0 0 287.403 3.324 20 70 CGIDRN Cc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)no1 ZINC000159918210 372193182 /nfs/dbraw/zinc/19/31/82/372193182.db2.gz BLYIEQLPNFMPIC-ZJUUUORDSA-N 0 0 262.334 3.095 20 70 CGIDRN CCC(CC)(CO)CNC(=O)Nc1cc(C)cc(C)c1 ZINC000159927522 372194714 /nfs/dbraw/zinc/19/47/14/372194714.db2.gz SNKATTSENGLYTQ-UHFFFAOYSA-N 0 0 278.396 3.224 20 70 CGIDRN Cc1c(/C=C/C(=O)Nc2ccc(Cl)c(F)c2)cnn1C ZINC000159958427 372197510 /nfs/dbraw/zinc/19/75/10/372197510.db2.gz ZEZQUJGPXZXALC-ZZXKWVIFSA-N 0 0 293.729 3.173 20 70 CGIDRN O=C(N[C@@H]1CCCc2sccc21)[C@H]1Cc2ccccc2O1 ZINC000159957889 372197985 /nfs/dbraw/zinc/19/79/85/372197985.db2.gz DICUEQOGWOHDTB-UKRRQHHQSA-N 0 0 299.395 3.245 20 70 CGIDRN COCc1ccc(C(=O)Nc2ccc(C)cc2F)o1 ZINC000159993589 372201618 /nfs/dbraw/zinc/20/16/18/372201618.db2.gz HQSZMAPPTZOESW-UHFFFAOYSA-N 0 0 263.268 3.126 20 70 CGIDRN CC[C@@H](NC(=O)c1ccccc1C)c1c(C)noc1C ZINC000159996579 372203010 /nfs/dbraw/zinc/20/30/10/372203010.db2.gz JZAJCAGOWMQCMX-CQSZACIVSA-N 0 0 272.348 3.481 20 70 CGIDRN 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/nfs/dbraw/zinc/14/41/97/372144197.db2.gz MQHJSLVFSMZMPE-JTQLQIEISA-N 0 0 268.357 3.103 20 70 CGIDRN CC[C@H](C)[C@@](C)(O)CNc1nc(C(C)(C)C)ns1 ZINC000159448938 372144689 /nfs/dbraw/zinc/14/46/89/372144689.db2.gz FWRHLKUFFAPXJN-ZANVPECISA-N 0 0 271.430 3.045 20 70 CGIDRN CCc1cccc(NC(=O)N[C@H](CC)[C@H]2CCCO2)c1 ZINC000159459901 372145729 /nfs/dbraw/zinc/14/57/29/372145729.db2.gz ZSIQCQATOCMRPL-HUUCEWRRSA-N 0 0 276.380 3.328 20 70 CGIDRN COc1ccc(N(C)C(=O)c2cccc(F)c2)cc1F ZINC000159467220 372146468 /nfs/dbraw/zinc/14/64/68/372146468.db2.gz DTGINIVHRBNJAF-UHFFFAOYSA-N 0 0 277.270 3.250 20 70 CGIDRN CC[C@@H](NC(=O)Nc1cc(C)ccc1F)[C@H]1CCCO1 ZINC000159478293 372147582 /nfs/dbraw/zinc/14/75/82/372147582.db2.gz QPZVCJXQKGTGCX-TZMCWYRMSA-N 0 0 280.343 3.213 20 70 CGIDRN Cc1ccc(F)c(NC(=O)N(C)[C@@H]2CCSC2)c1 ZINC000159476713 372147593 /nfs/dbraw/zinc/14/75/93/372147593.db2.gz HFUOZDJSUDSKLQ-SNVBAGLBSA-N 0 0 268.357 3.103 20 70 CGIDRN CC[C@@H](N[C@H](C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000159489586 372148533 /nfs/dbraw/zinc/14/85/33/372148533.db2.gz JIEDODWTHFIJPB-IUODEOHRSA-N 0 0 279.380 3.076 20 70 CGIDRN COc1ccc(N(C)C(=O)[C@@H]2CC=CCC2)cc1F ZINC000159484833 372149070 /nfs/dbraw/zinc/14/90/70/372149070.db2.gz ARFLUTWFQYJLDB-LLVKDONJSA-N 0 0 263.312 3.153 20 70 CGIDRN COc1ccc(Cl)c(N[C@@H](C)CCn2cccn2)c1 ZINC000159487572 372149466 /nfs/dbraw/zinc/14/94/66/372149466.db2.gz VTYWUKNIYMZGPY-NSHDSACASA-N 0 0 279.771 3.436 20 70 CGIDRN CC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)OC ZINC000159510015 372150953 /nfs/dbraw/zinc/15/09/53/372150953.db2.gz IDDJNFOCUFLVJJ-OAHLLOKOSA-N 0 0 276.380 3.040 20 70 CGIDRN Cc1cc(OC(=O)[C@@H]2CCCCO2)ccc1Cl ZINC000159585568 372157708 /nfs/dbraw/zinc/15/77/08/372157708.db2.gz ADIMZBUONOZDRW-LBPRGKRZSA-N 0 0 254.713 3.123 20 70 CGIDRN Cc1nn(C)cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000159586663 372159526 /nfs/dbraw/zinc/15/95/26/372159526.db2.gz XYCHKMURCPIEDO-SFHVURJKSA-N 0 0 292.386 3.003 20 70 CGIDRN C[C@H](c1c(F)cccc1F)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159596369 372159606 /nfs/dbraw/zinc/15/96/06/372159606.db2.gz DAWYCSJAJNBEDU-SUNKGSAMSA-N 0 0 269.335 3.119 20 70 CGIDRN CC(C)(C)c1nsc(NC[C@](C)(O)c2ccsc2)n1 ZINC000159605034 372161380 /nfs/dbraw/zinc/16/13/80/372161380.db2.gz FUCRGDJJUUTCAJ-ZDUSSCGKSA-N 0 0 297.449 3.217 20 70 CGIDRN CC[C@@H]1CN(CCC(=O)c2ccc(C)cc2)C[C@H](C)O1 ZINC000159616565 372161759 /nfs/dbraw/zinc/16/17/59/372161759.db2.gz YEOCRTAJVNQKJP-GOEBONIOSA-N 0 0 275.392 3.067 20 70 CGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000159626764 372162713 /nfs/dbraw/zinc/16/27/13/372162713.db2.gz RNSPQVMNRJOVDP-CZUORRHYSA-N 0 0 283.375 3.181 20 70 CGIDRN CCO[C@H](CCNC(=O)Cc1cccc(CC)c1)C(C)C ZINC000159655019 372164118 /nfs/dbraw/zinc/16/41/18/372164118.db2.gz SDAVVJMXNLIZTB-QGZVFWFLSA-N 0 0 291.435 3.359 20 70 CGIDRN Cc1nc(CN2CCC[C@H]2c2cccc(C)n2)cs1 ZINC000159803460 372181731 /nfs/dbraw/zinc/18/17/31/372181731.db2.gz XHNSMMIPBSVALC-HNNXBMFYSA-N 0 0 273.405 3.492 20 70 CGIDRN Cc1cc(C)cc(-c2cc(NC(=O)[C@H]3CC[C@@H](C)O3)n[nH]2)c1 ZINC000159696861 372169943 /nfs/dbraw/zinc/16/99/43/372169943.db2.gz SOHUMAZBMLTTCB-IUODEOHRSA-N 0 0 299.374 3.200 20 70 CGIDRN CCC(CC)(CC)CNC(=O)N1CCCSCC1 ZINC000159734953 372173882 /nfs/dbraw/zinc/17/38/82/372173882.db2.gz CDHDENZOBPDQKX-UHFFFAOYSA-N 0 0 272.458 3.351 20 70 CGIDRN CCn1cc([C@H](C)Nc2ccc(F)c(OC)c2)cn1 ZINC000160044873 372207121 /nfs/dbraw/zinc/20/71/21/372207121.db2.gz DLMRXWABRJJXKD-JTQLQIEISA-N 0 0 263.316 3.224 20 70 CGIDRN O=C(CCCOc1ccccc1F)NCC1(C2CC2)CC1 ZINC000160042222 372207283 /nfs/dbraw/zinc/20/72/83/372207283.db2.gz VKTMEGAWWQTBRC-UHFFFAOYSA-N 0 0 291.366 3.291 20 70 CGIDRN COc1cccc2c1CC[C@H]2NC(=O)c1ccccc1OC ZINC000160056668 372209180 /nfs/dbraw/zinc/20/91/80/372209180.db2.gz HZVJKZDDMHCUEM-OAHLLOKOSA-N 0 0 297.354 3.121 20 70 CGIDRN Cc1cnc(NC(=O)NCCC2=CCCC2)s1 ZINC000160081224 372210769 /nfs/dbraw/zinc/21/07/69/372210769.db2.gz QLKJJRDATBGJKY-UHFFFAOYSA-N 0 0 251.355 3.073 20 70 CGIDRN CC[C@H](SC)C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160106074 372213805 /nfs/dbraw/zinc/21/38/05/372213805.db2.gz SWNFVGRHKXGHAM-UWVGGRQHSA-N 0 0 293.310 3.370 20 70 CGIDRN CSCCCCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000160139480 372216336 /nfs/dbraw/zinc/21/63/36/372216336.db2.gz BJLHZCKXJFJHSE-ZDUSSCGKSA-N 0 0 285.453 3.128 20 70 CGIDRN OCC1(CN[C@H](c2ccccc2)C(F)(F)F)CCCC1 ZINC000160149108 372218797 /nfs/dbraw/zinc/21/87/97/372218797.db2.gz UGPJOQARXMCKJR-CYBMUJFWSA-N 0 0 287.325 3.432 20 70 CGIDRN Cc1c(Br)cccc1CS[C@@H](C)CO ZINC000160154828 372218900 /nfs/dbraw/zinc/21/89/00/372218900.db2.gz NNNGSJQGTBMSMD-QMMMGPOBSA-N 0 0 275.211 3.372 20 70 CGIDRN CSc1ccc(C(=O)NCCc2cccc(O)c2)cc1 ZINC000160152850 372219006 /nfs/dbraw/zinc/21/90/06/372219006.db2.gz UATYFUXJCMZRDO-UHFFFAOYSA-N 0 0 287.384 3.087 20 70 CGIDRN C[C@H]1CCCN1C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160194159 372224690 /nfs/dbraw/zinc/22/46/90/372224690.db2.gz NSJHYKSLYVSFMR-AWEZNQCLSA-N 0 0 295.386 3.443 20 70 CGIDRN Cc1ccc(CC(=O)N[C@@H]2CCCc3sccc32)cn1 ZINC000160222020 372226287 /nfs/dbraw/zinc/22/62/87/372226287.db2.gz HTDYUOGESZEGHN-CQSZACIVSA-N 0 0 286.400 3.188 20 70 CGIDRN COc1ccc(N(C)C(=O)c2c(C)noc2C)cc1Cl ZINC000160231907 372227411 /nfs/dbraw/zinc/22/74/11/372227411.db2.gz WYQYDVYUZOJTER-UHFFFAOYSA-N 0 0 294.738 3.230 20 70 CGIDRN CCC1(C(=O)NCc2nc3c(cccc3C)[nH]2)CCC1 ZINC000160266369 372231657 /nfs/dbraw/zinc/23/16/57/372231657.db2.gz QBRGLKKXYCLFAG-UHFFFAOYSA-N 0 0 271.364 3.068 20 70 CGIDRN Cn1ccc(-c2nc3cc(Br)ccc3[nH]2)c1 ZINC000160272350 372232144 /nfs/dbraw/zinc/23/21/44/372232144.db2.gz YSRKVJKOCJHQLJ-UHFFFAOYSA-N 0 0 276.137 3.331 20 70 CGIDRN O=C(C[C@H]1CCCCO1)N[C@H]1CCCc2sccc21 ZINC000160269653 372232477 /nfs/dbraw/zinc/23/24/77/372232477.db2.gz XIYXGCFJXPTOFT-YPMHNXCESA-N 0 0 279.405 3.201 20 70 CGIDRN O=C(NCCC1=CCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000160334280 372239247 /nfs/dbraw/zinc/23/92/47/372239247.db2.gz FOQLRXRIQPZHRP-UHFFFAOYSA-N 0 0 298.386 3.265 20 70 CGIDRN CC(C)[C@H]1CN(C(=O)[C@H]2CCCCO2)c2ccccc2N1 ZINC000159812626 372182943 /nfs/dbraw/zinc/18/29/43/372182943.db2.gz YTJLLZSOGUVKIE-GDBMZVCRSA-N 0 0 288.391 3.039 20 70 CGIDRN CCO[C@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000159816117 372183118 /nfs/dbraw/zinc/18/31/18/372183118.db2.gz MWERCXUOTZSNHT-RHSMWYFYSA-N 0 0 298.386 3.021 20 70 CGIDRN Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000159844243 372186741 /nfs/dbraw/zinc/18/67/41/372186741.db2.gz MJVBJWMUSXZZSH-JTQLQIEISA-N 0 0 292.766 3.365 20 70 CGIDRN CC(C)[C@@H](Sc1ccncc1)C(=O)NC(C)(C)C ZINC000159900385 372193050 /nfs/dbraw/zinc/19/30/50/372193050.db2.gz PKJPKUZLCUNUGD-GFCCVEGCSA-N 0 0 266.410 3.113 20 70 CGIDRN CCCC1CCC(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000159921563 372194209 /nfs/dbraw/zinc/19/42/09/372194209.db2.gz ZPYHEHJKVIDROX-BHDPWAOGSA-N 0 0 296.455 3.148 20 70 CGIDRN O=C(CC(F)(F)F)N[C@H]1CCCc2sccc21 ZINC000159930989 372194309 /nfs/dbraw/zinc/19/43/09/372194309.db2.gz QUMXPCAAEVSDMR-QMMMGPOBSA-N 0 0 263.284 3.194 20 70 CGIDRN CCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000160346584 372240858 /nfs/dbraw/zinc/24/08/58/372240858.db2.gz XZZKEAOOEQGLOM-UKRRQHHQSA-N 0 0 281.421 3.118 20 70 CGIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCOCC(C)C ZINC000159961868 372197464 /nfs/dbraw/zinc/19/74/64/372197464.db2.gz BKSGQHJPZGFFQC-KGLIPLIRSA-N 0 0 295.448 3.339 20 70 CGIDRN CC[C@@H](NC(=O)c1cc(Cl)ccn1)c1c(C)noc1C ZINC000159951836 372197525 /nfs/dbraw/zinc/19/75/25/372197525.db2.gz ZWTAFPHPRUUIDJ-LLVKDONJSA-N 0 0 293.754 3.221 20 70 CGIDRN Cc1cc(CN(C)C(=O)[C@@]2(C)CCCc3ccccc32)no1 ZINC000159976345 372200335 /nfs/dbraw/zinc/20/03/35/372200335.db2.gz ZUEFPGADDIDCGZ-SFHVURJKSA-N 0 0 298.386 3.236 20 70 CGIDRN CN(Cc1cccs1)C(=O)N1CCCCCC1 ZINC000160357651 372241088 /nfs/dbraw/zinc/24/10/88/372241088.db2.gz CZYNZFFBRKDOOV-UHFFFAOYSA-N 0 0 252.383 3.176 20 70 CGIDRN Cc1cccc([C@@H](O)CNc2nc(C(C)(C)C)ns2)c1 ZINC000160011819 372203868 /nfs/dbraw/zinc/20/38/68/372203868.db2.gz XKCXPHULVARHAJ-LBPRGKRZSA-N 0 0 291.420 3.290 20 70 CGIDRN COc1cccc2c1CC[C@H]2NC(=O)c1ccccc1C ZINC000160014551 372204806 /nfs/dbraw/zinc/20/48/06/372204806.db2.gz CBTRCMPTPVYTJA-MRXNPFEDSA-N 0 0 281.355 3.421 20 70 CGIDRN CS[C@H](C)CC(=O)N(C)[C@@H](C)c1cccs1 ZINC000160017508 372204970 /nfs/dbraw/zinc/20/49/70/372204970.db2.gz XAXKDIQNJAUUQZ-ZJUUUORDSA-N 0 0 257.424 3.409 20 70 CGIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nccs1 ZINC000160031596 372205214 /nfs/dbraw/zinc/20/52/14/372205214.db2.gz PGKKCHWCWOBDOR-DTWKUNHWSA-N 0 0 264.375 3.255 20 70 CGIDRN C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc2[nH]ccc2c1 ZINC000160018907 372205305 /nfs/dbraw/zinc/20/53/05/372205305.db2.gz IPORJJHCZCHQHU-DOMZBBRYSA-N 0 0 286.375 3.242 20 70 CGIDRN CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCCO1 ZINC000160041756 372206644 /nfs/dbraw/zinc/20/66/44/372206644.db2.gz LWKANWQVMUAZRC-LLVKDONJSA-N 0 0 287.812 3.319 20 70 CGIDRN CCOC[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160933202 372289457 /nfs/dbraw/zinc/28/94/57/372289457.db2.gz KXQPLNLDAOCOPS-ZDUSSCGKSA-N 0 0 267.413 3.088 20 70 CGIDRN CC1(C(=O)Nc2cc(F)c(Br)cc2F)CC1 ZINC000160938485 372289600 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CC[C@H]1CCN(C(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000159429634 372143048 /nfs/dbraw/zinc/14/30/48/372143048.db2.gz BMCCQVOMNGPEDD-NSHDSACASA-N 0 0 289.404 3.021 20 70 CGIDRN CO[C@@H](C)c1cccc(N[C@@H](C)CCn2cccn2)c1 ZINC000159447293 372144594 /nfs/dbraw/zinc/14/45/94/372144594.db2.gz OQSNBPQJRCIKIR-KBPBESRZSA-N 0 0 273.380 3.481 20 70 CGIDRN C[C@H](C(=O)Nc1cc(F)ccc1OC(F)F)C1CC1 ZINC000159460655 372146101 /nfs/dbraw/zinc/14/61/01/372146101.db2.gz SHLIMGRGZAMUHH-ZETCQYMHSA-N 0 0 273.254 3.412 20 70 CGIDRN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H]1CCCC1(C)C ZINC000159462121 372146236 /nfs/dbraw/zinc/14/62/36/372146236.db2.gz YQRBUZWOZKXMJL-GXFFZTMASA-N 0 0 293.411 3.273 20 70 CGIDRN COCC(=O)O[C@H](C)c1ccc(F)c(C(F)(F)F)c1 ZINC000159468275 372146265 /nfs/dbraw/zinc/14/62/65/372146265.db2.gz ZBLFLRSQCVXJFB-SSDOTTSWSA-N 0 0 280.217 3.095 20 70 CGIDRN Cc1onc(-c2ccncc2)c1C(=O)N1CCCC[C@H]1C ZINC000159463084 372146442 /nfs/dbraw/zinc/14/64/42/372146442.db2.gz WDMCPRWEMFDYDZ-LLVKDONJSA-N 0 0 285.347 3.060 20 70 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CCS[C@@H]1CCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000217811735 346291820 /nfs/dbraw/zinc/29/18/20/346291820.db2.gz QRNKXZMRHSFBDW-ZIAGYGMSSA-N 0 0 277.437 3.442 20 70 CGIDRN FC(F)(F)c1cccnc1N1CCC[C@H](c2cc[nH]n2)C1 ZINC000160798480 136709794 /nfs/dbraw/zinc/70/97/94/136709794.db2.gz FGKNGDIHCUWCDU-JTQLQIEISA-N 0 0 296.296 3.208 20 70 CGIDRN CC[C@H](C)OCC(=O)Nc1cccc(C)c1Cl ZINC000159572008 188432345 /nfs/dbraw/zinc/43/23/45/188432345.db2.gz HNNRUIWGARVAPJ-JTQLQIEISA-N 0 0 255.745 3.402 20 70 CGIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2c(c1)CCC2 ZINC000159840457 188443931 /nfs/dbraw/zinc/44/39/31/188443931.db2.gz TZQPUDFYFPFQJK-KRWDZBQOSA-N 0 0 299.414 3.397 20 70 CGIDRN C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc3[nH]ccc3c2)C1 ZINC000160074392 188454302 /nfs/dbraw/zinc/45/43/02/188454302.db2.gz VBLMJMTXVJGAQC-CHWSQXEVSA-N 0 0 286.375 3.051 20 70 CGIDRN Cc1cccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1Cl ZINC000160408975 188470748 /nfs/dbraw/zinc/47/07/48/188470748.db2.gz NAQCWILZFDDJNP-JTQLQIEISA-N 0 0 297.782 3.108 20 70 CGIDRN COc1cc(Cl)ccc1CNC(=O)NC1(C)CCC1 ZINC000160982584 188501058 /nfs/dbraw/zinc/50/10/58/188501058.db2.gz SFDQMAMYZFDGKJ-UHFFFAOYSA-N 0 0 282.771 3.090 20 70 CGIDRN Cc1ccc(C(=O)N(C)CCC2CC2)c(Br)n1 ZINC000160979433 188501225 /nfs/dbraw/zinc/50/12/25/188501225.db2.gz JCYHINSEFHJOPN-UHFFFAOYSA-N 0 0 297.196 3.025 20 70 CGIDRN COc1ccc(-c2noc([C@@H]3CCC(=O)C[C@H]3C)n2)cc1 ZINC000160996349 188501406 /nfs/dbraw/zinc/50/14/06/188501406.db2.gz BCBCYKFSOVQDHL-QMTHXVAHSA-N 0 0 286.331 3.218 20 70 CGIDRN CC1(C)C[C@@H](NC(=O)NCc2cccc(Cl)c2)CCO1 ZINC000160989963 188501451 /nfs/dbraw/zinc/50/14/51/188501451.db2.gz MVCBZKSWIRHSKZ-ZDUSSCGKSA-N 0 0 296.798 3.097 20 70 CGIDRN CCn1c2ccccc2nc1SCc1ccnn1C ZINC000161168735 188512082 /nfs/dbraw/zinc/51/20/82/188512082.db2.gz BEQFMGKEXSSAJN-UHFFFAOYSA-N 0 0 272.377 3.082 20 70 CGIDRN CC[C@H](C)NC(=O)C(=O)Nc1ccccc1SC(C)C ZINC000161007217 188502982 /nfs/dbraw/zinc/50/29/82/188502982.db2.gz PUPPJDAZTJZPOO-NSHDSACASA-N 0 0 294.420 3.040 20 70 CGIDRN COC(=O)Nc1cccc(NC(=O)N[C@H](C)CC(C)C)c1 ZINC000161028629 188503301 /nfs/dbraw/zinc/50/33/01/188503301.db2.gz LEFYYHFSAVNCMF-LLVKDONJSA-N 0 0 293.367 3.421 20 70 CGIDRN C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1-c1ccccc1 ZINC000217141107 138491852 /nfs/dbraw/zinc/49/18/52/138491852.db2.gz ZXNLQWGOVFFGPN-SWLSCSKDSA-N 0 0 283.375 3.385 20 70 CGIDRN O=C(N[C@@H]1CCCc2sccc21)c1cncc(F)c1 ZINC000160270072 284049508 /nfs/dbraw/zinc/04/95/08/284049508.db2.gz MNQMKGLTKMZRHW-GFCCVEGCSA-N 0 0 276.336 3.090 20 70 CGIDRN Cc1ccc(CNC(=O)C(C)(C)F)c(OCC2CC2)c1 ZINC000159374722 372135395 /nfs/dbraw/zinc/13/53/95/372135395.db2.gz WWUZRVUCNZJBBY-UHFFFAOYSA-N 0 0 279.355 3.148 20 70 CGIDRN COc1ccc(N(C)C(=O)CC2CCCC2)cc1F ZINC000159395530 372139730 /nfs/dbraw/zinc/13/97/30/372139730.db2.gz GCCHFCOKAQQMPM-UHFFFAOYSA-N 0 0 265.328 3.377 20 70 CGIDRN CC[C@@H](NC(=O)Nc1ccccc1SC)[C@@H]1CCCO1 ZINC000159432794 372142713 /nfs/dbraw/zinc/14/27/13/372142713.db2.gz VSAFPFPBOLFSDL-YPMHNXCESA-N 0 0 294.420 3.488 20 70 CGIDRN CCOCCC1(CNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000159437524 372143336 /nfs/dbraw/zinc/14/33/36/372143336.db2.gz FWYOXCBSTAXRKD-OAHLLOKOSA-N 0 0 289.419 3.422 20 70 CGIDRN CCOC[C@H]1CCCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159478009 372147122 /nfs/dbraw/zinc/14/71/22/372147122.db2.gz UOJRLYDBLUGURB-NSHDSACASA-N 0 0 283.441 3.089 20 70 CGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(OC)cc1OC ZINC000159494196 372148914 /nfs/dbraw/zinc/14/89/14/372148914.db2.gz DMAXDIIQHHTEKL-WMLDXEAASA-N 0 0 291.391 3.098 20 70 CGIDRN Cc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)no1 ZINC000159485357 372149523 /nfs/dbraw/zinc/14/95/23/372149523.db2.gz SMDOKRNLPVPEHX-SNVBAGLBSA-N 0 0 288.372 3.372 20 70 CGIDRN Cc1cc(C)nc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000159506947 372150686 /nfs/dbraw/zinc/15/06/86/372150686.db2.gz ICEOLMDUFXXMCT-OAHLLOKOSA-N 0 0 268.364 3.165 20 70 CGIDRN COc1ccc(N(C)C(=O)Cc2ccccc2F)cc1F ZINC000159547979 372154493 /nfs/dbraw/zinc/15/44/93/372154493.db2.gz LLBALXFNTCREII-UHFFFAOYSA-N 0 0 291.297 3.179 20 70 CGIDRN COC[C@H](C)CNc1ncc(Cl)cc1Br ZINC000159580730 372157239 /nfs/dbraw/zinc/15/72/39/372157239.db2.gz WUZKDAHASHOSSP-SSDOTTSWSA-N 0 0 293.592 3.192 20 70 CGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cc(C)n(CC)c1C ZINC000159577683 372157729 /nfs/dbraw/zinc/15/77/29/372157729.db2.gz TUVZHTMGMCISSN-DZGCQCFKSA-N 0 0 262.397 3.433 20 70 CGIDRN O=C(C1=CCCC1)N(Cc1ccccc1F)C1CC1 ZINC000159795945 372181407 /nfs/dbraw/zinc/18/14/07/372181407.db2.gz IDNGVEMZDFWCIB-UHFFFAOYSA-N 0 0 259.324 3.427 20 70 CGIDRN C[C@H](c1nc(C2CC2)no1)N(C)OCc1ccccc1 ZINC000159591332 372158843 /nfs/dbraw/zinc/15/88/43/372158843.db2.gz MXBJRHYTNMITBH-LLVKDONJSA-N 0 0 273.336 3.072 20 70 CGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cc(OC)cs1 ZINC000159792097 372181670 /nfs/dbraw/zinc/18/16/70/372181670.db2.gz HIPDWJOUCVZGTN-GXSJLCMTSA-N 0 0 253.367 3.065 20 70 CGIDRN CCCCc1nc(CN(C)C[C@H]2CCC[C@@H]2O)cs1 ZINC000159652413 372164851 /nfs/dbraw/zinc/16/48/51/372164851.db2.gz IKKANQWPSRKAKS-OCCSQVGLSA-N 0 0 282.453 3.079 20 70 CGIDRN C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccn(C3CCCC3)n2)n[nH]1 ZINC000159681777 372167445 /nfs/dbraw/zinc/16/74/45/372167445.db2.gz CJARMIJZYVGOFT-ZYHUDNBSSA-N 0 0 299.378 3.097 20 70 CGIDRN Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159685409 372167961 /nfs/dbraw/zinc/16/79/61/372167961.db2.gz GHWYXWVKOPOTQA-HOCLYGCPSA-N 0 0 272.392 3.198 20 70 CGIDRN CN(CC(=O)OC(C)(C)C)C(=O)C1CCC(C)(C)CC1 ZINC000159711477 372171991 /nfs/dbraw/zinc/17/19/91/372171991.db2.gz YQTSBINVUITEKS-UHFFFAOYSA-N 0 0 283.412 3.003 20 70 CGIDRN CCNc1ccc(Cl)cc1C(=O)NCC(C)(C)OCC ZINC000159754414 372175768 /nfs/dbraw/zinc/17/57/68/372175768.db2.gz VSGZXVBENQXMAL-UHFFFAOYSA-N 0 0 298.814 3.317 20 70 CGIDRN Cc1nc2ccccn2c1CN1CCN(C)c2ccccc21 ZINC000160352113 372241392 /nfs/dbraw/zinc/24/13/92/372241392.db2.gz LUIIMSPJEVYZCB-UHFFFAOYSA-N 0 0 292.386 3.099 20 70 CGIDRN O=C(c1cccc(NCc2ccco2)c1)N1CCCC1 ZINC000160057578 372208971 /nfs/dbraw/zinc/20/89/71/372208971.db2.gz QTKPMTXXOSUNMA-UHFFFAOYSA-N 0 0 270.332 3.128 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)c1ccc2ccccc2n1 ZINC000160080540 372210512 /nfs/dbraw/zinc/21/05/12/372210512.db2.gz LPEJKBUIOKMXJX-UHFFFAOYSA-N 0 0 266.344 3.155 20 70 CGIDRN COc1cccc2c1CC[C@@H]2NC(=O)C[C@H]1C=CCC1 ZINC000160102979 372212446 /nfs/dbraw/zinc/21/24/46/372212446.db2.gz AFBPRJVYNKNPGV-WFASDCNBSA-N 0 0 271.360 3.155 20 70 CGIDRN CC[C@@H](NC(=O)Nc1ccc(SC)cc1)[C@H]1CCCO1 ZINC000160117350 372214172 /nfs/dbraw/zinc/21/41/72/372214172.db2.gz VWZKCDMMFLLDKS-ZIAGYGMSSA-N 0 0 294.420 3.488 20 70 CGIDRN CCc1ccccc1NC(=O)N(C)CCc1nccs1 ZINC000160104534 372214607 /nfs/dbraw/zinc/21/46/07/372214607.db2.gz SOHQKBQODLJWRH-UHFFFAOYSA-N 0 0 289.404 3.412 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)c1cnc(-c2ccccn2)s1 ZINC000160104653 372214891 /nfs/dbraw/zinc/21/48/91/372214891.db2.gz RLBZAAQCFXODQD-UHFFFAOYSA-N 0 0 299.399 3.125 20 70 CGIDRN COc1cc(NCc2cccc3c2NCC3)ccc1F ZINC000160148642 372217869 /nfs/dbraw/zinc/21/78/69/372217869.db2.gz QXYNBKNJSJCLNO-UHFFFAOYSA-N 0 0 272.323 3.414 20 70 CGIDRN CC(C)OCCCC(=O)N[C@@H]1CCCc2sccc21 ZINC000160163552 372220134 /nfs/dbraw/zinc/22/01/34/372220134.db2.gz LSHDEFFRNIHIAA-CYBMUJFWSA-N 0 0 281.421 3.447 20 70 CGIDRN FC(F)(F)CCCNc1nnc(C(F)(F)F)s1 ZINC000160179198 372222652 /nfs/dbraw/zinc/22/26/52/372222652.db2.gz BCDQWUKBRZUPSE-UHFFFAOYSA-N 0 0 279.209 3.311 20 70 CGIDRN CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160223809 372226857 /nfs/dbraw/zinc/22/68/57/372226857.db2.gz LTSNVTMEUBMCEH-MLGOLLRUSA-N 0 0 290.407 3.253 20 70 CGIDRN Cc1cscc1C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160240292 372229585 /nfs/dbraw/zinc/22/95/85/372229585.db2.gz IBDCJMGVGMNKOF-UHFFFAOYSA-N 0 0 285.372 3.171 20 70 CGIDRN O=C(NCCC1=CCCC1)c1cccc2ncccc21 ZINC000160266825 372231216 /nfs/dbraw/zinc/23/12/16/372231216.db2.gz PEHGPJJPVOEVEM-UHFFFAOYSA-N 0 0 266.344 3.465 20 70 CGIDRN CC(C)CCN(C(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000160292829 372235982 /nfs/dbraw/zinc/23/59/82/372235982.db2.gz SNOYSEIHOHPGNK-HOCLYGCPSA-N 0 0 294.439 3.164 20 70 CGIDRN O=C(N[C@H]1CCSc2c(F)cccc21)[C@H]1CCCCO1 ZINC000160308045 372236085 /nfs/dbraw/zinc/23/60/85/372236085.db2.gz KPKVXIQJMMCRGL-QWHCGFSZSA-N 0 0 295.379 3.048 20 70 CGIDRN CCS[C@H](C(=O)Nc1cc(C2CC2)nc(C)n1)C(C)C ZINC000160318087 372237569 /nfs/dbraw/zinc/23/75/69/372237569.db2.gz LVJWQPJCKPTOOF-AWEZNQCLSA-N 0 0 293.436 3.379 20 70 CGIDRN CCOc1ccccc1[C@@H](CC)NCc1nnc(CC)[nH]1 ZINC000160324361 372238195 /nfs/dbraw/zinc/23/81/95/372238195.db2.gz IRTMYPMFLLDPID-CYBMUJFWSA-N 0 0 288.395 3.007 20 70 CGIDRN Cc1cc(=O)n(C)cc1NC(=O)CC1CCC(C)(C)CC1 ZINC000159869274 372189159 /nfs/dbraw/zinc/18/91/59/372189159.db2.gz NLQIMFMUKFDRFH-UHFFFAOYSA-N 0 0 290.407 3.239 20 70 CGIDRN Cc1csc(NC(=O)NCCC2=CCCC2)n1 ZINC000159894341 372190530 /nfs/dbraw/zinc/19/05/30/372190530.db2.gz QDVILGRWIXJCEY-UHFFFAOYSA-N 0 0 251.355 3.073 20 70 CGIDRN CC(C)CCn1ccc(N[C@H](C)c2nc(C3CC3)no2)n1 ZINC000159888868 372190556 /nfs/dbraw/zinc/19/05/56/372190556.db2.gz IXDVIEOUOPOBOL-LLVKDONJSA-N 0 0 289.383 3.363 20 70 CGIDRN CCC(=O)Nc1ccc(NC(=O)C[C@@H](C)SC)cc1 ZINC000159891200 372190565 /nfs/dbraw/zinc/19/05/65/372190565.db2.gz YLVYFCOXUKJXQL-SNVBAGLBSA-N 0 0 280.393 3.115 20 70 CGIDRN CSC[C@H](C)C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000159911376 372193358 /nfs/dbraw/zinc/19/33/58/372193358.db2.gz OEFSVCGFWPKHEV-WCBMZHEXSA-N 0 0 293.310 3.227 20 70 CGIDRN C[C@@H](SCCN1CCOCC1)c1cccc(Cl)c1 ZINC000159936026 372196880 /nfs/dbraw/zinc/19/68/80/372196880.db2.gz BKBWGHDEONIXQO-GFCCVEGCSA-N 0 0 285.840 3.466 20 70 CGIDRN CC(=O)C[C@@H](C)NC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000159955571 372197577 /nfs/dbraw/zinc/19/75/77/372197577.db2.gz WOAKGSGCCJNCFJ-LLVKDONJSA-N 0 0 287.359 3.455 20 70 CGIDRN CC(C)COCCC(=O)N[C@H]1CCCc2sccc21 ZINC000159967224 372199798 /nfs/dbraw/zinc/19/97/98/372199798.db2.gz MWVNPDZUOAYWEE-ZDUSSCGKSA-N 0 0 281.421 3.304 20 70 CGIDRN CCC(CC)(CO)CNC(=O)Nc1ccccc1SC ZINC000159967306 372199911 /nfs/dbraw/zinc/19/99/11/372199911.db2.gz YNMJAJIKGXHFOM-UHFFFAOYSA-N 0 0 296.436 3.329 20 70 CGIDRN 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70 CGIDRN CSCCCCC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000159947032 372196070 /nfs/dbraw/zinc/19/60/70/372196070.db2.gz AEZIXVKERVMQEE-ZIAGYGMSSA-N 0 0 287.469 3.231 20 70 CGIDRN O=C(Nc1nnc(C(F)F)s1)C1CCC(F)(F)CC1 ZINC000159958325 372197953 /nfs/dbraw/zinc/19/79/53/372197953.db2.gz APPZVTNTYBXBMJ-UHFFFAOYSA-N 0 0 297.277 3.240 20 70 CGIDRN COC(=O)CCN(C(=O)C1CCC(C)(C)CC1)C(C)C ZINC000160352792 372240971 /nfs/dbraw/zinc/24/09/71/372240971.db2.gz QWFWZLMKXWZMDH-UHFFFAOYSA-N 0 0 283.412 3.003 20 70 CGIDRN CCCCCc1nnc(NC(=O)CO[C@H](C)CC)s1 ZINC000160352916 372240982 /nfs/dbraw/zinc/24/09/82/372240982.db2.gz AONMVFMKLQYCCH-SNVBAGLBSA-N 0 0 285.413 3.024 20 70 CGIDRN COc1ccc(N(C)C(=O)CC(F)(F)F)cc1Cl ZINC000159980044 372200307 /nfs/dbraw/zinc/20/03/07/372200307.db2.gz JVHVRPNNGYMGCS-UHFFFAOYSA-N 0 0 281.661 3.264 20 70 CGIDRN CC(C)COCCC(=O)N[C@@H]1CCCc2sccc21 ZINC000159967077 372200589 /nfs/dbraw/zinc/20/05/89/372200589.db2.gz MWVNPDZUOAYWEE-CYBMUJFWSA-N 0 0 281.421 3.304 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)c1ccc2c(c1)CCC2 ZINC000159972283 372200638 /nfs/dbraw/zinc/20/06/38/372200638.db2.gz UUBKEBPKSSGMNG-UHFFFAOYSA-N 0 0 255.361 3.095 20 70 CGIDRN O=C(CCC1CCCC1)CSc1nncs1 ZINC000159987298 372201228 /nfs/dbraw/zinc/20/12/28/372201228.db2.gz HGIGXNVXXVTCHW-UHFFFAOYSA-N 0 0 256.396 3.170 20 70 CGIDRN COc1ccc(Cl)cc1CC(=O)NCC1(C2CC2)CC1 ZINC000159990463 372201366 /nfs/dbraw/zinc/20/13/66/372201366.db2.gz QRIFNTMDZIDWQV-UHFFFAOYSA-N 0 0 293.794 3.198 20 70 CGIDRN Cc1ccc(OC(=O)[C@@H]2CCCCO2)c(Br)c1 ZINC000159993055 372201488 /nfs/dbraw/zinc/20/14/88/372201488.db2.gz BWHFAIIKHHVXQS-LBPRGKRZSA-N 0 0 299.164 3.232 20 70 CGIDRN COc1cccc2c1CC[C@@H]2NC(=O)c1ccccc1C ZINC000160014676 372204876 /nfs/dbraw/zinc/20/48/76/372204876.db2.gz CBTRCMPTPVYTJA-INIZCTEOSA-N 0 0 281.355 3.421 20 70 CGIDRN CSC[C@@H]1CCCN1c1nc(C(C)(C)C)ns1 ZINC000160014052 372205221 /nfs/dbraw/zinc/20/52/21/372205221.db2.gz GNIVSUIWXQDVDP-VIFPVBQESA-N 0 0 271.455 3.167 20 70 CGIDRN C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1cccnc1 ZINC000160042344 372206859 /nfs/dbraw/zinc/20/68/59/372206859.db2.gz OYRXCVZVPDCOCO-NSHDSACASA-N 0 0 282.347 3.462 20 70 CGIDRN Cn1c(COc2ccccc2F)nnc1-c1ccccc1 ZINC000160943683 372291076 /nfs/dbraw/zinc/29/10/76/372291076.db2.gz DNQKMTKDBMYYKG-UHFFFAOYSA-N 0 0 283.306 3.200 20 70 CGIDRN CC[C@@H](C(=O)N(C)CCOCC1CC1)c1ccc(F)cc1 ZINC000160965907 372291385 /nfs/dbraw/zinc/29/13/85/372291385.db2.gz JJQKBUHEKMEJGC-MRXNPFEDSA-N 0 0 293.382 3.204 20 70 CGIDRN Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCC1CC1 ZINC000161026021 372296163 /nfs/dbraw/zinc/29/61/63/372296163.db2.gz WNXQVWQYPKWWMG-SNVBAGLBSA-N 0 0 264.369 3.044 20 70 CGIDRN C[C@H](SCc1nncn1C)c1ccc(Cl)cc1 ZINC000161041581 372297272 /nfs/dbraw/zinc/29/72/72/372297272.db2.gz TVDHFGUZHUZXOU-VIFPVBQESA-N 0 0 267.785 3.463 20 70 CGIDRN CCOCCC1(C(=O)N2CCc3ccccc32)CCC1 ZINC000161043189 372298341 /nfs/dbraw/zinc/29/83/41/372298341.db2.gz QKVYNHBSFVZABM-UHFFFAOYSA-N 0 0 273.376 3.173 20 70 CGIDRN CC(C)(C)c1cnc([S@@](=O)C[C@H]2CCCCO2)s1 ZINC000160453250 372247362 /nfs/dbraw/zinc/24/73/62/372247362.db2.gz KETRRTGLQCXMAF-MLCYQJTMSA-N 0 0 287.450 3.117 20 70 CGIDRN OCc1cc2ccccc2nc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160442504 372247512 /nfs/dbraw/zinc/24/75/12/372247512.db2.gz WGAKYQGYJIOCOY-DOTOQJQBSA-N 0 0 298.386 3.097 20 70 CGIDRN CCc1nnc(CN[C@@H](C)c2ccc(F)cc2Cl)[nH]1 ZINC000160447927 372248471 /nfs/dbraw/zinc/24/84/71/372248471.db2.gz TWFQKJLWJZUFNB-QMMMGPOBSA-N 0 0 282.750 3.010 20 70 CGIDRN CC(C)(C)/C=C/C(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000160451545 372248579 /nfs/dbraw/zinc/24/85/79/372248579.db2.gz OQUPYMDZQFVXHX-XCODYQFDSA-N 0 0 287.812 3.153 20 70 CGIDRN CCN(C)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160500642 372251861 /nfs/dbraw/zinc/25/18/61/372251861.db2.gz IAGQTTAYPZTOSD-CABCVRRESA-N 0 0 260.381 3.059 20 70 CGIDRN CCOc1ccc(NC(=O)C[C@H](C)SC)c(C)c1 ZINC000160518306 372254002 /nfs/dbraw/zinc/25/40/02/372254002.db2.gz BKWPFKBDHCGIBM-NSHDSACASA-N 0 0 267.394 3.474 20 70 CGIDRN Cc1ccnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000160534148 372255938 /nfs/dbraw/zinc/25/59/38/372255938.db2.gz FGRKPZDXVAJXHK-LSDHHAIUSA-N 0 0 269.348 3.117 20 70 CGIDRN CC[C@@H](C)OCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000160537440 372256253 /nfs/dbraw/zinc/25/62/53/372256253.db2.gz OWZRJRUOFFDXDS-CYBMUJFWSA-N 0 0 279.380 3.366 20 70 CGIDRN CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160570833 372259311 /nfs/dbraw/zinc/25/93/11/372259311.db2.gz PNIYUDYGXLNXRW-RKDXNWHRSA-N 0 0 292.305 3.002 20 70 CGIDRN CC(C)CONC(=O)Nc1ccc(F)cc1OC(F)F ZINC000160592460 372261435 /nfs/dbraw/zinc/26/14/35/372261435.db2.gz ZKPIKOZLNKPNLD-UHFFFAOYSA-N 0 0 292.257 3.136 20 70 CGIDRN O=C(N1CCC(C(F)(F)F)CC1)N1CCCCCC1 ZINC000160640040 372264424 /nfs/dbraw/zinc/26/44/24/372264424.db2.gz PYRAVHQJTXRFHI-UHFFFAOYSA-N 0 0 278.318 3.257 20 70 CGIDRN Cc1cc(F)cc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1 ZINC000160662508 372266453 /nfs/dbraw/zinc/26/64/53/372266453.db2.gz OIFOZPZOSVWOFM-YGRLFVJLSA-N 0 0 263.312 3.078 20 70 CGIDRN CCc1c(Cl)nc(C)nc1N[C@@H]1CCOC(C)(C)C1 ZINC000160686841 372268102 /nfs/dbraw/zinc/26/81/02/372268102.db2.gz NQFGEEDPHAVABK-SNVBAGLBSA-N 0 0 283.803 3.370 20 70 CGIDRN O=C(/C=C/c1ccc(Cl)nc1)NC[C@H]1CC=CCC1 ZINC000160708017 372269275 /nfs/dbraw/zinc/26/92/75/372269275.db2.gz USLLPZCLKREQRE-CRALRDPISA-N 0 0 276.767 3.221 20 70 CGIDRN Cc1ccc(CCCCC(=O)N[C@@H](CCO)C(C)C)cc1 ZINC000160717408 372269866 /nfs/dbraw/zinc/26/98/66/372269866.db2.gz MQFNRTHZNMJJOT-KRWDZBQOSA-N 0 0 291.435 3.231 20 70 CGIDRN CCCC(C)(C)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160699913 372269872 /nfs/dbraw/zinc/26/98/72/372269872.db2.gz QDTMRKWCKKLPLK-UHFFFAOYSA-N 0 0 292.305 3.146 20 70 CGIDRN CCC(=O)c1cccc(NC(=O)[C@@H]2CCCc3n[nH]cc32)c1 ZINC000160722977 372271517 /nfs/dbraw/zinc/27/15/17/372271517.db2.gz ILYCRIWXRFMFRX-CYBMUJFWSA-N 0 0 297.358 3.061 20 70 CGIDRN CC(=O)NCCCN(c1cc(C)ccc1C)C(C)C ZINC000160731866 372271893 /nfs/dbraw/zinc/27/18/93/372271893.db2.gz UQOKRBPJSQHSQU-UHFFFAOYSA-N 0 0 262.397 3.044 20 70 CGIDRN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NOCc2cccnc2)o1 ZINC000160774299 372274760 /nfs/dbraw/zinc/27/47/60/372274760.db2.gz COIBKPBVCAPCNT-QKOWSDGPSA-N 0 0 298.342 3.059 20 70 CGIDRN CCCOc1cccc(CC(=O)Nc2ccccn2)c1 ZINC000160836737 372281105 /nfs/dbraw/zinc/28/11/05/372281105.db2.gz COQNRDXLSVOHPC-UHFFFAOYSA-N 0 0 270.332 3.052 20 70 CGIDRN CCCCCOCC(=O)OCc1nc(C)sc1C ZINC000160854668 372281595 /nfs/dbraw/zinc/28/15/95/372281595.db2.gz JVZKDVSCEBAOTN-UHFFFAOYSA-N 0 0 271.382 3.010 20 70 CGIDRN C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC=CCC1 ZINC000160873921 372282697 /nfs/dbraw/zinc/28/26/97/372282697.db2.gz NOGKDKDSRLIYBO-NWDGAFQWSA-N 0 0 277.389 3.182 20 70 CGIDRN Cn1c(C[N@H+](C)CC2CCCC2)nnc1-c1ccccc1 ZINC000160873594 372282853 /nfs/dbraw/zinc/28/28/53/372282853.db2.gz YBNREZYJIQSZTI-UHFFFAOYSA-N 0 0 284.407 3.104 20 70 CGIDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000160873872 372283286 /nfs/dbraw/zinc/28/32/86/372283286.db2.gz AGRZORREFNATIS-RDBSUJKOSA-N 0 0 290.407 3.011 20 70 CGIDRN CC(C)(C)SCCCC(=O)Nc1cccc(F)n1 ZINC000160891089 372285632 /nfs/dbraw/zinc/28/56/32/372285632.db2.gz WUIBWWIWVKBOFU-UHFFFAOYSA-N 0 0 270.373 3.471 20 70 CGIDRN Cc1cc(C)c(C(=O)Cn2cnc(C(C)C)cc2=O)cc1C ZINC000160893650 372285869 /nfs/dbraw/zinc/28/58/69/372285869.db2.gz DFVPWYQZMHISKJ-UHFFFAOYSA-N 0 0 298.386 3.175 20 70 CGIDRN CCc1ccc([C@H](CO)Nc2cc(C)nc(C3CC3)n2)cc1 ZINC000160915010 372287827 /nfs/dbraw/zinc/28/78/27/372287827.db2.gz SRXKXVYZPLVARZ-INIZCTEOSA-N 0 0 297.402 3.370 20 70 CGIDRN CCc1ccccc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000160915365 372287901 /nfs/dbraw/zinc/28/79/01/372287901.db2.gz VVTFNNFCGVWWEC-SFHVURJKSA-N 0 0 295.382 3.463 20 70 CGIDRN CCc1nc([C@H](C)N[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000160904787 372288161 /nfs/dbraw/zinc/28/81/61/372288161.db2.gz UYTMUVYQTZEFSN-UWVGGRQHSA-N 0 0 284.425 3.086 20 70 CGIDRN CCCC[C@H](NC(=O)[C@@H](C)CC)C(=O)OC(C)(C)C ZINC000161210996 372309086 /nfs/dbraw/zinc/30/90/86/372309086.db2.gz ZJFIAIJULOORBV-RYUDHWBXSA-N 0 0 271.401 3.049 20 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CGIDRN CCCC1(CNc2ccc(C(F)(F)F)nn2)CC1 ZINC000218068627 376183290 /nfs/dbraw/zinc/18/32/90/376183290.db2.gz GNYVFTNJUZONJL-UHFFFAOYSA-N 0 0 259.275 3.488 20 70 CGIDRN Cc1nccc(NC(=O)N[C@@H]2CCCSC2)c1Cl ZINC000159364769 542148100 /nfs/dbraw/zinc/14/81/00/542148100.db2.gz NEZQEOUUTLJLIM-SECBINFHSA-N 0 0 285.800 3.061 20 70 CGIDRN C[C@@H](NC(=O)Nc1c(F)cccc1F)C1CCC1 ZINC000159380791 542149683 /nfs/dbraw/zinc/14/96/83/542149683.db2.gz KLXJNFNUCIGFQI-MRVPVSSYSA-N 0 0 254.280 3.275 20 70 CGIDRN Cc1cccc(OC(F)F)c1NC(=O)NC1CC=CC1 ZINC000159921137 542152113 /nfs/dbraw/zinc/15/21/13/542152113.db2.gz LPOCXLPPTVZTIE-UHFFFAOYSA-N 0 0 282.290 3.437 20 70 CGIDRN Cc1nc(NC(=O)C[C@H](C)c2ccncc2)cc(C2CC2)n1 ZINC000159956471 542152225 /nfs/dbraw/zinc/15/22/25/542152225.db2.gz OVDXSQADDXXKAQ-NSHDSACASA-N 0 0 296.374 3.190 20 70 CGIDRN C[C@H](OCC1CC1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000159839053 542151544 /nfs/dbraw/zinc/15/15/44/542151544.db2.gz JUBNGAIVMKYORR-GXFFZTMASA-N 0 0 279.405 3.057 20 70 CGIDRN 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LDSMYQMFZXJNEJ-WBMJQRKESA-N 0 0 287.407 3.088 20 70 CGIDRN CCCCn1ncc(C(=O)N2CCc3ccccc32)c1C ZINC000159442473 270052633 /nfs/dbraw/zinc/05/26/33/270052633.db2.gz AFDUROODMALOSR-UHFFFAOYSA-N 0 0 283.375 3.195 20 70 CGIDRN CC(C)CCNC(=O)NCc1ccccc1Br ZINC000217314384 270085342 /nfs/dbraw/zinc/08/53/42/270085342.db2.gz UBJULDWYENDFEM-UHFFFAOYSA-N 0 0 299.212 3.294 20 70 CGIDRN C[C@@H]1CCN(C(=O)Nc2cccc(F)c2F)C[C@@H]1C ZINC000160465961 278535325 /nfs/dbraw/zinc/53/53/25/278535325.db2.gz NQNHYBNZDKTLHG-ZJUUUORDSA-N 0 0 268.307 3.475 20 70 CGIDRN Cc1cc(-c2nc(C3CCOCC3)no2)cc(C)c1F ZINC000160869936 278618867 /nfs/dbraw/zinc/61/88/67/278618867.db2.gz CHSAEKFIPLWQAA-UHFFFAOYSA-N 0 0 276.311 3.387 20 70 CGIDRN CC1=C(C(=O)N2CCC[C@H]2c2ccccc2)CCCO1 ZINC000161271067 281632594 /nfs/dbraw/zinc/63/25/94/281632594.db2.gz MBVBFEFCOMKFDZ-INIZCTEOSA-N 0 0 271.360 3.435 20 70 CGIDRN CCCCCNC(=O)NCc1ccccc1Cl ZINC000217314118 572868877 /nfs/dbraw/zinc/86/88/77/572868877.db2.gz VXXMIVFAAQQMFT-UHFFFAOYSA-N 0 0 254.761 3.329 20 70 CGIDRN COc1ccc(N(C)C(=O)CCc2ccc(C)o2)cc1F ZINC000159386111 321834367 /nfs/dbraw/zinc/83/43/67/321834367.db2.gz JSJNQDICVCMILQ-UHFFFAOYSA-N 0 0 291.322 3.331 20 70 CGIDRN COc1cc(NC(=O)/C=C/c2cncc(C)c2)cc(OC)c1 ZINC000159503239 321836199 /nfs/dbraw/zinc/83/61/99/321836199.db2.gz FCRIQGNFIBPVEP-SNAWJCMRSA-N 0 0 298.342 3.059 20 70 CGIDRN CN(CCc1ccncc1)C(=O)C1CCC(C)(C)CC1 ZINC000159625679 321837912 /nfs/dbraw/zinc/83/79/12/321837912.db2.gz GBVHSHHBRCDTAT-UHFFFAOYSA-N 0 0 274.408 3.299 20 70 CGIDRN C[C@H]1CN(C(=O)NCCc2c[nH]c3ccccc23)CC[C@@H]1C ZINC000159677574 321838484 /nfs/dbraw/zinc/83/84/84/321838484.db2.gz ZYORBJLKMBIWGJ-KBPBESRZSA-N 0 0 299.418 3.398 20 70 CGIDRN C[C@H](C(=O)NCC1(C2CC2)CC1)c1ccccc1F ZINC000159730097 321839849 /nfs/dbraw/zinc/83/98/49/321839849.db2.gz XRBFKGQEEUVKBJ-NSHDSACASA-N 0 0 261.340 3.236 20 70 CGIDRN O=C(CCc1cccnc1)N[C@@H]1CCCc2sccc21 ZINC000159827781 321841075 /nfs/dbraw/zinc/84/10/75/321841075.db2.gz MCFNEQAXOLONHS-CQSZACIVSA-N 0 0 286.400 3.270 20 70 CGIDRN Cc1cccc([C@@H](C)SC[C@H](C)CS(C)(=O)=O)c1 ZINC000159816789 321841267 /nfs/dbraw/zinc/84/12/67/321841267.db2.gz CKGOUDZGVWVRQB-QWHCGFSZSA-N 0 0 286.462 3.470 20 70 CGIDRN COc1ccc(N(C)C(=O)CCc2ccccc2)cc1F ZINC000159799257 321841272 /nfs/dbraw/zinc/84/12/72/321841272.db2.gz HBUBFBIHQZXMFP-UHFFFAOYSA-N 0 0 287.334 3.430 20 70 CGIDRN Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000159890520 321842236 /nfs/dbraw/zinc/84/22/36/321842236.db2.gz TXKSLSPVOFRITM-TZMCWYRMSA-N 0 0 260.381 3.183 20 70 CGIDRN CCSCCN(C[C@H](O)CC)c1ccccc1 ZINC000159987034 321844682 /nfs/dbraw/zinc/84/46/82/321844682.db2.gz AMEIHMPVSVWRMZ-CQSZACIVSA-N 0 0 253.411 3.017 20 70 CGIDRN CC(C)C[C@@H](C)N(C)C(=O)COc1ccc2[nH]ccc2c1 ZINC000160024976 321845139 /nfs/dbraw/zinc/84/51/39/321845139.db2.gz CZZIMKUBPDPEMS-CYBMUJFWSA-N 0 0 288.391 3.440 20 70 CGIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000160183833 321848088 /nfs/dbraw/zinc/84/80/88/321848088.db2.gz OMEOLZUGFIQAIK-MEBBXXQBSA-N 0 0 290.388 3.106 20 70 CGIDRN Cc1cncc(/C=C/C(=O)NCCSc2ccccc2)c1 ZINC000160173998 321848148 /nfs/dbraw/zinc/84/81/48/321848148.db2.gz LJWFGJLBIUKQMH-BQYQJAHWSA-N 0 0 298.411 3.312 20 70 CGIDRN CCc1oc(C(=O)N(C)c2ccc3c(c2)OCO3)cc1C ZINC000160243295 321849383 /nfs/dbraw/zinc/84/93/83/321849383.db2.gz VVLLAOCXUQIIMS-UHFFFAOYSA-N 0 0 287.315 3.156 20 70 CGIDRN COc1ccc(N(C)C(=O)[C@H]2C[C@H]2C2CC2)cc1Cl ZINC000160311787 321849821 /nfs/dbraw/zinc/84/98/21/321849821.db2.gz BYPWOMIZQJBPMD-RYUDHWBXSA-N 0 0 279.767 3.358 20 70 CGIDRN C[C@@]1(CNC(=O)NCC2(C3CC3)CCC2)CCCS1 ZINC000160279051 321849929 /nfs/dbraw/zinc/84/99/29/321849929.db2.gz BLLUALGPUJNPJS-AWEZNQCLSA-N 0 0 282.453 3.152 20 70 CGIDRN CC[C@@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1nnc(C)o1 ZINC000160433051 321851562 /nfs/dbraw/zinc/85/15/62/321851562.db2.gz IMHSIKXCIIEOQC-GWCFXTLKSA-N 0 0 294.376 3.005 20 70 CGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000160518600 321853133 /nfs/dbraw/zinc/85/31/33/321853133.db2.gz JZMWDUPDEIWPHT-YOEHRIQHSA-N 0 0 286.375 3.410 20 70 CGIDRN C[C@H]1CC[C@H](CC(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000160581703 321854576 /nfs/dbraw/zinc/85/45/76/321854576.db2.gz ZFQNSPMAVSXGOK-RYUDHWBXSA-N 0 0 263.385 3.403 20 70 CGIDRN C[C@H]1CCC[C@H](OCCCCCC(=O)N(C)C)C1 ZINC000160636754 321854953 /nfs/dbraw/zinc/85/49/53/321854953.db2.gz TYAMZSQQPCINNP-KBPBESRZSA-N 0 0 255.402 3.230 20 70 CGIDRN CCOc1cccc(NC(=O)Cc2c(C)noc2Cl)c1 ZINC000160668261 321855374 /nfs/dbraw/zinc/85/53/74/321855374.db2.gz MIMXPRJECLZMNT-UHFFFAOYSA-N 0 0 294.738 3.216 20 70 CGIDRN CCCc1ccc([C@@H](NCc2nncn2C)C(C)C)cc1 ZINC000160714522 321855989 /nfs/dbraw/zinc/85/59/89/321855989.db2.gz ZITXLDLVBFFSQI-KRWDZBQOSA-N 0 0 286.423 3.255 20 70 CGIDRN CCCC1(CNC(=O)c2ccc(-c3n[nH]c(C)n3)cc2)CC1 ZINC000160743359 321856775 /nfs/dbraw/zinc/85/67/75/321856775.db2.gz CEZIMNREYUIZLE-UHFFFAOYSA-N 0 0 298.390 3.090 20 70 CGIDRN CC(C)c1cc(=O)n(Cc2cc(F)cc3cccnc32)cn1 ZINC000160756299 321856782 /nfs/dbraw/zinc/85/67/82/321856782.db2.gz FVGWPQAYADQEJQ-UHFFFAOYSA-N 0 0 297.333 3.102 20 70 CGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCOC(C)C ZINC000160815100 321858385 /nfs/dbraw/zinc/85/83/85/321858385.db2.gz UTCBKFBCDHILBO-ZIAGYGMSSA-N 0 0 255.402 3.229 20 70 CGIDRN CCc1ccc([C@@H](CO)Nc2cnc3ccccc3n2)cc1 ZINC000160916864 321860001 /nfs/dbraw/zinc/86/00/01/321860001.db2.gz JSKWTLLTAYNOQW-QGZVFWFLSA-N 0 0 293.370 3.338 20 70 CGIDRN CO[C@@H](C)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161169288 321863391 /nfs/dbraw/zinc/86/33/91/321863391.db2.gz QIWMFIFNFQNLMK-DOTOQJQBSA-N 0 0 289.419 3.425 20 70 CGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc2c1OCO2 ZINC000161185189 321863809 /nfs/dbraw/zinc/86/38/09/321863809.db2.gz GXHATAIXYWVWGU-GXTWGEPZSA-N 0 0 289.375 3.456 20 70 CGIDRN FC(F)Oc1ccccc1OCc1nccs1 ZINC000161330300 321866056 /nfs/dbraw/zinc/86/60/56/321866056.db2.gz WMIGSILMFHOJBF-UHFFFAOYSA-N 0 0 257.261 3.324 20 70 CGIDRN CCCC1(CNC(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000161416966 321867440 /nfs/dbraw/zinc/86/74/40/321867440.db2.gz HGMMTQDYKFKCRR-HXUWFJFHSA-N 0 0 294.420 3.126 20 70 CGIDRN CC(C)Cc1noc(CSCc2cscn2)n1 ZINC000161287532 519479408 /nfs/dbraw/zinc/47/94/08/519479408.db2.gz MTYFINMRHZLYQO-UHFFFAOYSA-N 0 0 269.395 3.158 20 70 CGIDRN CC(C)CCN(C(=O)N1CCC(C)CC1)C1CC1 ZINC000160451072 519648925 /nfs/dbraw/zinc/64/89/25/519648925.db2.gz ASACQIXGQWDRGL-UHFFFAOYSA-N 0 0 252.402 3.349 20 70 CGIDRN CC[C@H](NC(=O)Nc1cc(C)ccc1F)[C@H]1CCCO1 ZINC000159478174 522479949 /nfs/dbraw/zinc/47/99/49/522479949.db2.gz QPZVCJXQKGTGCX-GXTWGEPZSA-N 0 0 280.343 3.213 20 70 CGIDRN COCCC1(CNC(=O)N[C@@H](C)CC2CC2)CCCC1 ZINC000160409719 523044703 /nfs/dbraw/zinc/04/47/03/523044703.db2.gz WRJZWWIACSOSPL-ZDUSSCGKSA-N 0 0 282.428 3.071 20 70 CGIDRN Cc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1F ZINC000161383530 524218943 /nfs/dbraw/zinc/21/89/43/524218943.db2.gz MBHSCGGTPHLKLV-UHFFFAOYSA-N 0 0 287.290 3.158 20 70 CGIDRN C[C@H](Cc1cccc(F)c1)C(=O)N(C)Cc1cccn1C ZINC000160474804 524713540 /nfs/dbraw/zinc/71/35/40/524713540.db2.gz YOVFUJVAADIIFL-CYBMUJFWSA-N 0 0 288.366 3.001 20 70 CGIDRN COc1ncccc1CNCc1ccc(Cl)cc1F ZINC000160766441 525060181 /nfs/dbraw/zinc/06/01/81/525060181.db2.gz QOKNNQMNFBGILY-UHFFFAOYSA-N 0 0 280.730 3.173 20 70 CGIDRN Cc1ccn(-c2ccccc2NC(=O)c2ccc(C)o2)n1 ZINC000161113083 525568229 /nfs/dbraw/zinc/56/82/29/525568229.db2.gz WAAPGCULZRPQBS-UHFFFAOYSA-N 0 0 281.315 3.334 20 70 CGIDRN CS[C@H](C)CC(=O)N1CCC[C@H]1C1CCCC1 ZINC000160709025 525861362 /nfs/dbraw/zinc/86/13/62/525861362.db2.gz KVNFTQQEKFCGSY-YPMHNXCESA-N 0 0 255.427 3.309 20 70 CGIDRN COc1cccc(Cl)c1CC(=O)N1CC[C@H](C)[C@@H]1C ZINC000160490463 526093808 /nfs/dbraw/zinc/09/38/08/526093808.db2.gz XNRFFNAZVFFTKD-QWRGUYRKSA-N 0 0 281.783 3.148 20 70 CGIDRN c1nc(CSCc2nc(-c3ccccn3)no2)cs1 ZINC000161249850 526600864 /nfs/dbraw/zinc/60/08/64/526600864.db2.gz TYQVASJVBDKROX-UHFFFAOYSA-N 0 0 290.373 3.022 20 70 CGIDRN CC1=CCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000160228909 528113320 /nfs/dbraw/zinc/11/33/20/528113320.db2.gz KFPAWBFVPVPPAJ-UHFFFAOYSA-N 0 0 267.328 3.338 20 70 CGIDRN CC(C)[C@@H](CCO)NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000160747062 528434805 /nfs/dbraw/zinc/43/48/05/528434805.db2.gz OMRCYZMQRVEKRW-WCQYABFASA-N 0 0 295.448 3.010 20 70 CGIDRN CCC(CC)n1nccc1C(=O)N[C@@H](C)c1cccnc1 ZINC000160672164 528915877 /nfs/dbraw/zinc/91/58/77/528915877.db2.gz DEBAPXFQLGSTSC-LBPRGKRZSA-N 0 0 286.379 3.130 20 70 CGIDRN CCC(CC)n1nccc1C(=O)N[C@@H](C)c1ccccn1 ZINC000160589181 528916257 /nfs/dbraw/zinc/91/62/57/528916257.db2.gz LBYYNSUUWASKLU-LBPRGKRZSA-N 0 0 286.379 3.130 20 70 CGIDRN CCCCn1ncc(C(=O)N2CCCC[C@H]2C)c1C ZINC000159626695 529089964 /nfs/dbraw/zinc/08/99/64/529089964.db2.gz UGYKLHNPZDBCRP-GFCCVEGCSA-N 0 0 263.385 3.006 20 70 CGIDRN O=C(NCCCCc1ccccc1)NCC1CCCC1 ZINC000217579274 571888686 /nfs/dbraw/zinc/88/86/86/571888686.db2.gz FELTVIKOGQICLL-UHFFFAOYSA-N 0 0 274.408 3.499 20 70 CGIDRN C[C@@H](CC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccncc1 ZINC000161294072 572338244 /nfs/dbraw/zinc/33/82/44/572338244.db2.gz TWTDRXGJNTYMTB-CWRNSKLLSA-N 0 0 272.392 3.224 20 70 CGIDRN CCN(Cc1ccccn1)C(=O)C[C@H](C)c1ccncc1 ZINC000161395579 572885257 /nfs/dbraw/zinc/88/52/57/572885257.db2.gz BJABVDNOHAQBFD-AWEZNQCLSA-N 0 0 283.375 3.019 20 70 CGIDRN CCc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1 ZINC000159857610 529609089 /nfs/dbraw/zinc/60/90/89/529609089.db2.gz NSBXJFYUYVPGHH-UHFFFAOYSA-N 0 0 281.359 3.477 20 70 CGIDRN O=C(NCCc1cc2ccccc2[nH]1)c1cc(Cl)ccn1 ZINC000159530691 232241851 /nfs/dbraw/zinc/24/18/51/232241851.db2.gz XOEFLCWYCKDJNI-UHFFFAOYSA-N 0 0 299.761 3.189 20 70 CGIDRN COc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000160406479 232245220 /nfs/dbraw/zinc/24/52/20/232245220.db2.gz MSRHMVISDNYODI-UHFFFAOYSA-N 0 0 295.697 3.446 20 70 CGIDRN O=C1CN(Cc2ccccc2)[C@@H](c2coc3ccccc32)N1 ZINC000160313189 232244397 /nfs/dbraw/zinc/24/43/97/232244397.db2.gz FLMIDIVXESSYSF-SFHVURJKSA-N 0 0 292.338 3.063 20 70 CGIDRN CSCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000159456808 346168156 /nfs/dbraw/zinc/16/81/56/346168156.db2.gz GJGKXHUWUJOWJU-YNEHKIRRSA-N 0 0 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3.057 20 70 CGIDRN Cc1cc(C(=O)NCCC2=CCCC2)nn1-c1ccccc1 ZINC000160159853 321847414 /nfs/dbraw/zinc/84/74/14/321847414.db2.gz NJZZTGXKQDBQES-UHFFFAOYSA-N 0 0 295.386 3.411 20 70 CGIDRN CCc1ccc([C@@H](CO)NC(=O)N[C@H](C)CC(C)C)cc1 ZINC000160219641 321848533 /nfs/dbraw/zinc/84/85/33/321848533.db2.gz TYZYSBLDFXIYBL-CZUORRHYSA-N 0 0 292.423 3.016 20 70 CGIDRN COC[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160356113 321850321 /nfs/dbraw/zinc/85/03/21/321850321.db2.gz BUAKFAADLMIXFJ-ZDUSSCGKSA-N 0 0 267.413 3.088 20 70 CGIDRN Cc1cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)no1 ZINC000160344086 321850376 /nfs/dbraw/zinc/85/03/76/321850376.db2.gz GVBRVTWDJJXNLX-VIFPVBQESA-N 0 0 278.739 3.454 20 70 CGIDRN CC(C)NC(=O)c1ccccc1NCc1ccco1 ZINC000160406034 321851125 /nfs/dbraw/zinc/85/11/25/321851125.db2.gz KFFAHJAWJZVUCD-UHFFFAOYSA-N 0 0 258.321 3.030 20 70 CGIDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H]1CCCCO1 ZINC000160593241 321854148 /nfs/dbraw/zinc/85/41/48/321854148.db2.gz LZTRHUSLKIQCRB-IINYFYTJSA-N 0 0 283.318 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Cc1ccsc1CCCC(=O)N1C[C@H](C)OC[C@H]1C ZINC000161133069 534459881 /nfs/dbraw/zinc/45/98/81/534459881.db2.gz HEAQUOXXSYDOAY-OLZOCXBDSA-N 0 0 281.421 3.015 20 70 CGIDRN CCCSCC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160965128 520559813 /nfs/dbraw/zinc/55/98/13/520559813.db2.gz YNQGZPSKXSZYOF-ZDUSSCGKSA-N 0 0 285.453 3.128 20 70 CGIDRN CCCN(C)c1ccc(C(=O)N(C)Cc2cccn2C)cc1 ZINC000160554534 521516234 /nfs/dbraw/zinc/51/62/34/521516234.db2.gz RKXYHHIXAMYYPX-UHFFFAOYSA-N 0 0 299.418 3.144 20 70 CGIDRN CCSCC[C@@H](C)Nc1nc(C(=O)OC)c(C)s1 ZINC000160873520 521713777 /nfs/dbraw/zinc/71/37/77/521713777.db2.gz CHMLRGVCJWMLLV-MRVPVSSYSA-N 0 0 288.438 3.182 20 70 CGIDRN CC[C@@H](NCC(=O)NC1CCCC1)c1ccc(F)cc1F ZINC000160835483 522817059 /nfs/dbraw/zinc/81/70/59/522817059.db2.gz KLTRCAUOJJVLSL-OAHLLOKOSA-N 0 0 296.361 3.064 20 70 CGIDRN COc1ccc(CNCc2ccc(Cl)cc2F)cn1 ZINC000160669604 524072933 /nfs/dbraw/zinc/07/29/33/524072933.db2.gz DMFOHTLBPSFLGV-UHFFFAOYSA-N 0 0 280.730 3.173 20 70 CGIDRN 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3.170 20 70 CGIDRN O=C(C[C@H]1CCCCO1)N[C@@H]1CCCc2sccc21 ZINC000160269548 372232033 /nfs/dbraw/zinc/23/20/33/372232033.db2.gz XIYXGCFJXPTOFT-DGCLKSJQSA-N 0 0 279.405 3.201 20 70 CGIDRN CC[C@H](NC(=O)c1[nH]nc2ccccc21)c1c(C)noc1C ZINC000160283683 372233244 /nfs/dbraw/zinc/23/32/44/372233244.db2.gz JPCNGSUGEPTGFC-LBPRGKRZSA-N 0 0 298.346 3.049 20 70 CGIDRN CCCCCOCC(=O)N[C@H](CC)c1c(C)noc1C ZINC000160298095 372235573 /nfs/dbraw/zinc/23/55/73/372235573.db2.gz WJGKRRTUWZAUCZ-CYBMUJFWSA-N 0 0 282.384 3.066 20 70 CGIDRN CC(C)CCN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000160293098 372235681 /nfs/dbraw/zinc/23/56/81/372235681.db2.gz SNOYSEIHOHPGNK-GOEBONIOSA-N 0 0 294.439 3.164 20 70 CGIDRN CCCCS(=O)(=O)c1ncc(C(C)(C)C)s1 ZINC000160376556 372243129 /nfs/dbraw/zinc/24/31/29/372243129.db2.gz RYVHARFVSPOHKL-UHFFFAOYSA-N 0 0 261.412 3.014 20 70 CGIDRN COCC1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160321458 372237462 /nfs/dbraw/zinc/23/74/62/372237462.db2.gz DWOPIGNRLZMBGJ-UHFFFAOYSA-N 0 0 267.413 3.088 20 70 CGIDRN FC(F)(F)c1ccnc(N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000160332529 372239109 /nfs/dbraw/zinc/23/91/09/372239109.db2.gz AISKDABCEULTFS-RYUDHWBXSA-N 0 0 286.297 3.470 20 70 CGIDRN CCCC1(CNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000160333485 372239160 /nfs/dbraw/zinc/23/91/60/372239160.db2.gz RPMKPUWUECBJJT-LLVKDONJSA-N 0 0 293.411 3.274 20 70 CGIDRN O=C(N[C@H]1CCCc2sccc21)[C@H]1C[C@@H]1C1CC1 ZINC000159816249 372183165 /nfs/dbraw/zinc/18/31/65/372183165.db2.gz CQRFHOHQMSLUSE-AGIUHOORSA-N 0 0 261.390 3.288 20 70 CGIDRN CCOC(=O)Nc1ccc(NC2CC(OCC)C2)cc1 ZINC000159826351 372185246 /nfs/dbraw/zinc/18/52/46/372185246.db2.gz RVZDUWXERJCEOF-UHFFFAOYSA-N 0 0 278.352 3.234 20 70 CGIDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1-n1cccn1)C1CC1 ZINC000159845627 372187715 /nfs/dbraw/zinc/18/77/15/372187715.db2.gz VECSKEGAHCMYAO-OLZOCXBDSA-N 0 0 283.375 3.096 20 70 CGIDRN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000159869286 372189298 /nfs/dbraw/zinc/18/92/98/372189298.db2.gz OAXMTHGDHAQNBQ-ZIAGYGMSSA-N 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20 70 CGIDRN COc1cc(NCc2nc3ccccc3n2C)ccc1F ZINC000159934095 372196601 /nfs/dbraw/zinc/19/66/01/372196601.db2.gz IPFZIIAYNRJFPY-UHFFFAOYSA-N 0 0 285.322 3.333 20 70 CGIDRN CS[C@H](C)CC(=O)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000159988339 372201757 /nfs/dbraw/zinc/20/17/57/372201757.db2.gz NLCXTMIWIRCQAZ-SNVBAGLBSA-N 0 0 293.388 3.082 20 70 CGIDRN CCc1noc(C)c1CSCC(=O)N1CCCC[C@@H]1C ZINC000159982741 372201823 /nfs/dbraw/zinc/20/18/23/372201823.db2.gz NJWBTGXKQHMRSC-NSHDSACASA-N 0 0 296.436 3.180 20 70 CGIDRN COCCC(C)(C)CNc1nc(C(C)(C)C)ns1 ZINC000160346173 372241147 /nfs/dbraw/zinc/24/11/47/372241147.db2.gz HNUDYWSVJMVHKH-UHFFFAOYSA-N 0 0 271.430 3.310 20 70 CGIDRN CCc1nc2cc(NC(=O)NOCC(C)C)ccc2o1 ZINC000160380184 372243090 /nfs/dbraw/zinc/24/30/90/372243090.db2.gz HKUDCONOSVPVSD-UHFFFAOYSA-N 0 0 277.324 3.099 20 70 CGIDRN CCCn1cc(C(=O)N[C@@H]2CCCc3sccc32)cn1 ZINC000160013688 372204857 /nfs/dbraw/zinc/20/48/57/372204857.db2.gz PCSRIINOBXEWPK-CYBMUJFWSA-N 0 0 289.404 3.162 20 70 CGIDRN Cc1ccc(C(N)=O)cc1NCc1cccc2[nH]ccc21 ZINC000160049572 372206478 /nfs/dbraw/zinc/20/64/78/372206478.db2.gz YFLYMDYZZAUTGC-UHFFFAOYSA-N 0 0 279.343 3.187 20 70 CGIDRN COCC(C)(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000160941638 372289423 /nfs/dbraw/zinc/28/94/23/372289423.db2.gz PVILCONIECUQPK-GFCCVEGCSA-N 0 0 297.395 3.151 20 70 CGIDRN Cc1ccc(CN(C)C(=O)c2ccc(C(C)C)nc2)o1 ZINC000160947266 372291240 /nfs/dbraw/zinc/29/12/40/372291240.db2.gz QSHWFCMRJWABSP-UHFFFAOYSA-N 0 0 272.348 3.379 20 70 CGIDRN CCc1nc2c(s1)[C@H](N(C)C(=O)C(C)C)CCC2 ZINC000160987240 372292533 /nfs/dbraw/zinc/29/25/33/372292533.db2.gz XJTRUCXECJQHHG-LLVKDONJSA-N 0 0 266.410 3.197 20 70 CGIDRN Cc1ncc(CNC(=O)C(C)(C)C2CCCC2)s1 ZINC000161018912 372294130 /nfs/dbraw/zinc/29/41/30/372294130.db2.gz IAFJRBLYHRUIKU-UHFFFAOYSA-N 0 0 266.410 3.284 20 70 CGIDRN C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)C1CC1 ZINC000161021475 372296247 /nfs/dbraw/zinc/29/62/47/372296247.db2.gz ODMNHTZWNOPZLP-TZMCWYRMSA-N 0 0 265.397 3.031 20 70 CGIDRN CO[C@@H](C(=O)OCc1nc(C)sc1C)c1ccccc1 ZINC000160372332 372243149 /nfs/dbraw/zinc/24/31/49/372243149.db2.gz VBACETDPUMVYMD-CQSZACIVSA-N 0 0 291.372 3.191 20 70 CGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nn1cnc2ccccc21 ZINC000160385329 372243153 /nfs/dbraw/zinc/24/31/53/372243153.db2.gz JJXFSSXETQJUPU-RYUDHWBXSA-N 0 0 297.383 3.280 20 70 CGIDRN Cc1ccc(F)cc1C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160431400 372245314 /nfs/dbraw/zinc/24/53/14/372245314.db2.gz USJLHGUYVNIYGX-UHFFFAOYSA-N 0 0 287.290 3.139 20 70 CGIDRN CCSc1cccc(C(=O)NCc2ccco2)c1 ZINC000160433375 372245974 /nfs/dbraw/zinc/24/59/74/372245974.db2.gz AOMIMGRINYKTLQ-UHFFFAOYSA-N 0 0 261.346 3.322 20 70 CGIDRN C[C@H]1CN(C(=O)Nc2cccc(F)c2F)CC[C@@H]1C ZINC000160466084 372250034 /nfs/dbraw/zinc/25/00/34/372250034.db2.gz NQNHYBNZDKTLHG-UWVGGRQHSA-N 0 0 268.307 3.475 20 70 CGIDRN CCc1nc(C(=O)N[C@H]2CCCc3sccc32)co1 ZINC000160485026 372251727 /nfs/dbraw/zinc/25/17/27/372251727.db2.gz WDLAYYXBNVOAQT-JTQLQIEISA-N 0 0 276.361 3.106 20 70 CGIDRN CN(CCCn1ccnc1)C(=O)CCCSC(C)(C)C ZINC000160479684 372251933 /nfs/dbraw/zinc/25/19/33/372251933.db2.gz ZUJGCKYTLGRSKP-UHFFFAOYSA-N 0 0 297.468 3.044 20 70 CGIDRN Cc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)s1 ZINC000160508475 372254121 /nfs/dbraw/zinc/25/41/21/372254121.db2.gz VMVTUJFFWHJHHJ-UHFFFAOYSA-N 0 0 275.329 3.062 20 70 CGIDRN CC1(NC(=O)NCc2cccc(OCC(F)F)c2)CCC1 ZINC000160528779 372255603 /nfs/dbraw/zinc/25/56/03/372255603.db2.gz MJHGAIWHSMWKNX-UHFFFAOYSA-N 0 0 298.333 3.072 20 70 CGIDRN CSC[C@@H]1CCCN1C(=O)C[C@H](C)c1c(C)noc1C ZINC000160530798 372256265 /nfs/dbraw/zinc/25/62/65/372256265.db2.gz SVAJIANZWJISGK-GWCFXTLKSA-N 0 0 296.436 3.139 20 70 CGIDRN CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(F)n1 ZINC000160574552 372259277 /nfs/dbraw/zinc/25/92/77/372259277.db2.gz CQDFSYNSCRVWGC-UHFFFAOYSA-N 0 0 290.342 3.339 20 70 CGIDRN Cc1csc(CNC(=O)[C@H]2C[C@@H]2c2sccc2C)n1 ZINC000160618071 372263305 /nfs/dbraw/zinc/26/33/05/372263305.db2.gz PSHNPCHFWILVPO-QWRGUYRKSA-N 0 0 292.429 3.241 20 70 CGIDRN CC[C@H](C(=O)NC[C@H](OC)C(C)(C)C)c1ccc(F)cc1 ZINC000160641935 372264293 /nfs/dbraw/zinc/26/42/93/372264293.db2.gz LHEZDINOHIIHMF-GJZGRUSLSA-N 0 0 295.398 3.497 20 70 CGIDRN CCCC1(CNC(=O)c2cc(C(C)=O)cs2)CC1 ZINC000160657324 372266921 /nfs/dbraw/zinc/26/69/21/372266921.db2.gz ROCDDHAOLPOYGK-UHFFFAOYSA-N 0 0 265.378 3.261 20 70 CGIDRN CCCN(CCC)C(=O)c1ccnc(Cl)c1F ZINC000160742306 372272582 /nfs/dbraw/zinc/27/25/82/372272582.db2.gz IMRLPVNAONTIBB-UHFFFAOYSA-N 0 0 258.724 3.136 20 70 CGIDRN CC/C=C(/C)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160749184 372272688 /nfs/dbraw/zinc/27/26/88/372272688.db2.gz YYXORNFJRKFQHL-XFFZJAGNSA-N 0 0 280.437 3.456 20 70 CGIDRN CC(C)CSCCCNC(=O)C(C1CC1)C1CC1 ZINC000160755693 372273567 /nfs/dbraw/zinc/27/35/67/372273567.db2.gz XBKDCDXLIDVXGD-UHFFFAOYSA-N 0 0 269.454 3.318 20 70 CGIDRN Cc1nc(CC(=O)Nc2cc(F)ccc2F)c(C)s1 ZINC000160792344 372275499 /nfs/dbraw/zinc/27/54/99/372275499.db2.gz JUEFWBBQOKSRMH-UHFFFAOYSA-N 0 0 282.315 3.219 20 70 CGIDRN CC(C)c1cc(=O)n(Cc2c(F)cccc2Cl)cn1 ZINC000160801158 372276836 /nfs/dbraw/zinc/27/68/36/372276836.db2.gz AATSWBOVBLCILA-UHFFFAOYSA-N 0 0 280.730 3.208 20 70 CGIDRN CN(Cc1ccc(CO)o1)Cc1ccc(Cl)cc1 ZINC000160809802 372277009 /nfs/dbraw/zinc/27/70/09/372277009.db2.gz WGRQNMPAGCKLOT-UHFFFAOYSA-N 0 0 265.740 3.057 20 70 CGIDRN CS[C@@H](C)CC(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000160835014 372279552 /nfs/dbraw/zinc/27/95/52/372279552.db2.gz FCUZUCQDGSFVOB-LBPRGKRZSA-N 0 0 293.436 3.152 20 70 CGIDRN Cc1cc(C)cc(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)c1 ZINC000160832165 372279965 /nfs/dbraw/zinc/27/99/65/372279965.db2.gz SIHDSCDTOSJSHK-HNNXBMFYSA-N 0 0 292.423 3.468 20 70 CGIDRN Cn1ccnc1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000160835216 372280097 /nfs/dbraw/zinc/28/00/97/372280097.db2.gz BKZYLNRLKGGZMY-INIZCTEOSA-N 0 0 267.376 3.072 20 70 CGIDRN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCCCO2)cc1 ZINC000161117995 372302284 /nfs/dbraw/zinc/30/22/84/372302284.db2.gz BJDFCLZJEQJLMX-HIFRSBDPSA-N 0 0 261.365 3.084 20 70 CGIDRN CC(C)C[C@@H](CO)NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000161150404 372305594 /nfs/dbraw/zinc/30/55/94/372305594.db2.gz PBQGMWRXLGYZJF-DOMZBBRYSA-N 0 0 297.826 3.042 20 70 CGIDRN CCC(CC)c1cc(C(=O)NCc2cccc(C)n2)on1 ZINC000161143381 372306195 /nfs/dbraw/zinc/30/61/95/372306195.db2.gz WIRAHTHWTYXAST-UHFFFAOYSA-N 0 0 287.363 3.212 20 70 CGIDRN CC[C@@H](N[C@@H](C)c1nc(C(C)C)no1)c1nccs1 ZINC000161162411 372306205 /nfs/dbraw/zinc/30/62/05/372306205.db2.gz VNQQHZMZWHPPGQ-VHSXEESVSA-N 0 0 280.397 3.451 20 70 CGIDRN Cc1nnc(CN2c3ccccc3S[C@H](C)[C@@H]2C)n1C ZINC000161173992 372307604 /nfs/dbraw/zinc/30/76/04/372307604.db2.gz OJLKRJHKCFLYGA-WDEREUQCSA-N 0 0 288.420 3.013 20 70 CGIDRN Cc1ccccc1[C@H](C)SCc1nnnn1C1CC1 ZINC000161210332 372309094 /nfs/dbraw/zinc/30/90/94/372309094.db2.gz HECMCOIYQCNFPZ-NSHDSACASA-N 0 0 274.393 3.311 20 70 CGIDRN CCCCc1noc([C@H](C)N(CC)Cc2ccccn2)n1 ZINC000161201167 372309860 /nfs/dbraw/zinc/30/98/60/372309860.db2.gz LRVUZQZBYJVXMO-ZDUSSCGKSA-N 0 0 288.395 3.390 20 70 CGIDRN 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CS[C@H](C)CC(=O)Nc1cccc(OC(F)F)c1 ZINC000159478422 372147714 /nfs/dbraw/zinc/14/77/14/372147714.db2.gz ZIIJYIUDILSLQL-MRVPVSSYSA-N 0 0 275.320 3.368 20 70 CGIDRN CC[C@H](Nc1ccc(-c2csc(C)n2)cc1)C(=O)OC ZINC000159484858 372148908 /nfs/dbraw/zinc/14/89/08/372148908.db2.gz APAKIFJKVXZFAB-ZDUSSCGKSA-N 0 0 290.388 3.482 20 70 CGIDRN CC(C)CCn1ccc(NC(=O)N[C@H](C)C(C)C)n1 ZINC000159509176 372150397 /nfs/dbraw/zinc/15/03/97/372150397.db2.gz NFFULAZBAQIZQM-GFCCVEGCSA-N 0 0 266.389 3.095 20 70 CGIDRN CCCCO[C@@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159505227 372150626 /nfs/dbraw/zinc/15/06/26/372150626.db2.gz UGCBLGGHDIFNRL-NSHDSACASA-N 0 0 283.343 3.002 20 70 CGIDRN CCOC(=O)Nc1ccc(NC(=O)C[C@@H](C)SC)cc1 ZINC000159517355 372150991 /nfs/dbraw/zinc/15/09/91/372150991.db2.gz BYGFWWWEXWIASB-SNVBAGLBSA-N 0 0 296.392 3.335 20 70 CGIDRN CCCCS[C@@H](C)C(=O)NCC1(C2CC2)CC1 ZINC000159802377 372181145 /nfs/dbraw/zinc/18/11/45/372181145.db2.gz VCYBMHFDCITCGF-NSHDSACASA-N 0 0 255.427 3.215 20 70 CGIDRN O=C(Oc1cccc(Cl)c1Cl)[C@H]1CCCCO1 ZINC000159557312 372155829 /nfs/dbraw/zinc/15/58/29/372155829.db2.gz BCZSRGNRTWSYPR-SNVBAGLBSA-N 0 0 275.131 3.468 20 70 CGIDRN CC[C@@H](C)OCC(=O)Nc1cccc(C)c1Cl ZINC000159571868 372156162 /nfs/dbraw/zinc/15/61/62/372156162.db2.gz HNNRUIWGARVAPJ-SNVBAGLBSA-N 0 0 255.745 3.402 20 70 CGIDRN CC[C@@H](NC(=O)N(CC)CC)c1ccc(F)cc1F ZINC000159613714 372161578 /nfs/dbraw/zinc/16/15/78/372161578.db2.gz LCWMEXGJMGFQJM-CYBMUJFWSA-N 0 0 270.323 3.467 20 70 CGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cccc(-n2cccn2)c1 ZINC000159626893 372163304 /nfs/dbraw/zinc/16/33/04/372163304.db2.gz RNSPQVMNRJOVDP-XJKSGUPXSA-N 0 0 283.375 3.181 20 70 CGIDRN COCCn1ccc(N[C@@H](C)c2ccccc2C)n1 ZINC000159639358 372165217 /nfs/dbraw/zinc/16/52/17/372165217.db2.gz ZSVGZEURISYWTO-ZDUSSCGKSA-N 0 0 259.353 3.011 20 70 CGIDRN CC(=O)c1ccccc1NC(=O)C=Cc1cncc(C)c1 ZINC000159665081 372165707 /nfs/dbraw/zinc/16/57/07/372165707.db2.gz OMWSIZODNDJCSZ-BQYQJAHWSA-N 0 0 280.327 3.245 20 70 CGIDRN CCC[C@@H](C)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159662411 372166500 /nfs/dbraw/zinc/16/65/00/372166500.db2.gz LAPFKBDZJBRPRF-KGLIPLIRSA-N 0 0 267.413 3.421 20 70 CGIDRN O=C(NCCc1nc2ccccc2s1)C1=CCCC1 ZINC000159687682 372168267 /nfs/dbraw/zinc/16/82/67/372168267.db2.gz HSSKGUXEJVOMQB-UHFFFAOYSA-N 0 0 272.373 3.065 20 70 CGIDRN C[C@H](NC(=O)c1ccn(C2CCCC2)n1)c1cccc(O)c1 ZINC000159703121 372172640 /nfs/dbraw/zinc/17/26/40/372172640.db2.gz IZSSIWIIHGYQRB-LBPRGKRZSA-N 0 0 299.374 3.195 20 70 CGIDRN CCOC(=O)CN(Cc1ccc(OC)cc1)C1CCCC1 ZINC000159775832 372178264 /nfs/dbraw/zinc/17/82/64/372178264.db2.gz SBKLOSIBCNYOBO-UHFFFAOYSA-N 0 0 291.391 3.003 20 70 CGIDRN FC(F)(F)c1ccc(NCc2cncs2)cn1 ZINC000160065912 372208925 /nfs/dbraw/zinc/20/89/25/372208925.db2.gz IGDZAENWHBBMGY-UHFFFAOYSA-N 0 0 259.256 3.169 20 70 CGIDRN O=C(CCCOCc1ccccc1)NCC1(C2CC2)CC1 ZINC000160088122 372210815 /nfs/dbraw/zinc/21/08/15/372210815.db2.gz IFCAKKBQOPCTGV-UHFFFAOYSA-N 0 0 287.403 3.290 20 70 CGIDRN CCCCC(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F ZINC000160104109 372213223 /nfs/dbraw/zinc/21/32/23/372213223.db2.gz DHOREFMIVSNEJO-GFCCVEGCSA-N 0 0 292.301 3.374 20 70 CGIDRN COc1ccc(N(C)C(=O)c2cscn2)cc1Cl ZINC000160111067 372213982 /nfs/dbraw/zinc/21/39/82/372213982.db2.gz KFKJRCULKAOLPT-UHFFFAOYSA-N 0 0 282.752 3.082 20 70 CGIDRN CCCCn1ncc(NC(=O)NC2CCCCC2)c1C ZINC000160116632 372214935 /nfs/dbraw/zinc/21/49/35/372214935.db2.gz FZKJZHJHJRGQSB-UHFFFAOYSA-N 0 0 278.400 3.446 20 70 CGIDRN COCc1ccc(C(=O)N[C@H](C)c2ccccc2C)o1 ZINC000160141465 372216430 /nfs/dbraw/zinc/21/64/30/372216430.db2.gz XQCVVDARGYNMMR-GFCCVEGCSA-N 0 0 273.332 3.225 20 70 CGIDRN CCOc1cc(NC(=O)C[C@H](C)SC)ccc1OC ZINC000160135497 372216560 /nfs/dbraw/zinc/21/65/60/372216560.db2.gz AVIMLSGHZSHOCG-JTQLQIEISA-N 0 0 283.393 3.174 20 70 CGIDRN CCC1(CNC(=O)NCCc2ccc(C)nc2)CCCC1 ZINC000160121860 372216691 /nfs/dbraw/zinc/21/66/91/372216691.db2.gz GWILNPNJKGBFPK-UHFFFAOYSA-N 0 0 289.423 3.202 20 70 CGIDRN COCCC1(C(=O)N[C@@H]2CCCc3sccc32)CCC1 ZINC000160157145 372218594 /nfs/dbraw/zinc/21/85/94/372218594.db2.gz ILADVLZBUZMYRN-CYBMUJFWSA-N 0 0 293.432 3.449 20 70 CGIDRN CC(C)N(C)C(=O)[C@@H](C)SCCc1ccccc1 ZINC000160164727 372220028 /nfs/dbraw/zinc/22/00/28/372220028.db2.gz DJSATKVFZKRQHG-CYBMUJFWSA-N 0 0 265.422 3.218 20 70 CGIDRN CC[C@H](C)NC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000160183377 372222139 /nfs/dbraw/zinc/22/21/39/372222139.db2.gz KEUYOCIZPICODZ-GVXVVHGQSA-N 0 0 282.409 3.018 20 70 CGIDRN CSC[C@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000160190774 372224677 /nfs/dbraw/zinc/22/46/77/372224677.db2.gz ZYFRFZMXAIQQLU-ONGXEEELSA-N 0 0 269.435 3.241 20 70 CGIDRN CCO[C@@H](C)C(=O)O[C@@H](C)c1cc(C)ccc1OC ZINC000160213243 372225430 /nfs/dbraw/zinc/22/54/30/372225430.db2.gz XIDQHOMRTCHSLV-RYUDHWBXSA-N 0 0 266.337 3.033 20 70 CGIDRN CCc1ccc([C@@H](CO)NC(=O)N[C@@H](C)CC(C)C)cc1 ZINC000160219475 372226439 /nfs/dbraw/zinc/22/64/39/372226439.db2.gz TYZYSBLDFXIYBL-XJKSGUPXSA-N 0 0 292.423 3.016 20 70 CGIDRN C[C@@H](C(=O)N[C@H]1CCc2c1cccc2O)c1cccs1 ZINC000160234879 372227374 /nfs/dbraw/zinc/22/73/74/372227374.db2.gz SGFGLJPMHWHCAQ-MFKMUULPSA-N 0 0 287.384 3.361 20 70 CGIDRN CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1c(C)noc1C ZINC000160232282 372227538 /nfs/dbraw/zinc/22/75/38/372227538.db2.gz RILGBIPQYSUOEO-CQSZACIVSA-N 0 0 290.338 3.241 20 70 CGIDRN O=C(Cc1c[nH]c2cc(F)ccc12)NCC1(C2CC2)CC1 ZINC000160227722 372227991 /nfs/dbraw/zinc/22/79/91/372227991.db2.gz UFGYACUDJRWWGX-UHFFFAOYSA-N 0 0 286.350 3.156 20 70 CGIDRN CCc1nnc(CN[C@@H](C)c2cccc3ccccc32)[nH]1 ZINC000160272604 372232517 /nfs/dbraw/zinc/23/25/17/372232517.db2.gz XWXGZKUGVMCHAH-LBPRGKRZSA-N 0 0 280.375 3.371 20 70 CGIDRN CS[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000160278607 372234185 /nfs/dbraw/zinc/23/41/85/372234185.db2.gz PELYTRQKTZWEIT-LBPRGKRZSA-N 0 0 278.421 3.367 20 70 CGIDRN CCCCO[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160331222 372239830 /nfs/dbraw/zinc/23/98/30/372239830.db2.gz AOKQTGMVPDEYIF-LSDHHAIUSA-N 0 0 297.439 3.190 20 70 CGIDRN CSC[C@@H](C)Nc1cc(Cl)nc(C2CC2)n1 ZINC000159883356 372190123 /nfs/dbraw/zinc/19/01/23/372190123.db2.gz LECRRLQLZRGVIQ-SSDOTTSWSA-N 0 0 257.790 3.171 20 70 CGIDRN Cc1cc(Br)oc1C(=O)NCC1(C2CC2)CC1 ZINC000159893689 372190588 /nfs/dbraw/zinc/19/05/88/372190588.db2.gz PDXYHFSPCFBJFB-UHFFFAOYSA-N 0 0 298.180 3.271 20 70 CGIDRN Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@H]2C)c2ccccn2)c1 ZINC000159900617 372193152 /nfs/dbraw/zinc/19/31/52/372193152.db2.gz AGZCEYBENJKCEG-LXZKKBNFSA-N 0 0 280.371 3.252 20 70 CGIDRN CC[C@H](NC(=O)C[C@H]1C=CCC1)c1c(C)noc1C ZINC000159947967 372196040 /nfs/dbraw/zinc/19/60/40/372196040.db2.gz XDLNODNHPANNGR-STQMWFEESA-N 0 0 262.353 3.215 20 70 CGIDRN CSCc1ccc(NC(=O)NOCC(C)C)cc1 ZINC000159939728 372196091 /nfs/dbraw/zinc/19/60/91/372196091.db2.gz XDBZCXUWEBVHBM-UHFFFAOYSA-N 0 0 268.382 3.259 20 70 CGIDRN Cc1n[nH]c(C)c1NC(=O)Cc1ccc(F)cc1Cl ZINC000159959525 372197406 /nfs/dbraw/zinc/19/74/06/372197406.db2.gz KGDPVMXXZQZNRO-UHFFFAOYSA-N 0 0 281.718 3.000 20 70 CGIDRN C[C@@H](C[C@@H](O)c1ccco1)Nc1nc(C(C)(C)C)ns1 ZINC000159960874 372197739 /nfs/dbraw/zinc/19/77/39/372197739.db2.gz JGORHCXONLMJRC-VHSXEESVSA-N 0 0 295.408 3.353 20 70 CGIDRN COc1ccccc1NC(=O)[C@@H](C)Sc1ccncc1 ZINC000159949848 372198187 /nfs/dbraw/zinc/19/81/87/372198187.db2.gz CEZWVRUDAOIWLA-LLVKDONJSA-N 0 0 288.372 3.210 20 70 CGIDRN CCCCOC(=O)[C@H](C)N1CCC(OC2CCCC2)CC1 ZINC000159977378 372200036 /nfs/dbraw/zinc/20/00/36/372200036.db2.gz WDJJGQOAOBLVTN-AWEZNQCLSA-N 0 0 297.439 3.142 20 70 CGIDRN CC(C)(C)c1nsc(N[C@H]2CCC[C@H]3OCC[C@@H]32)n1 ZINC000159976979 372200776 /nfs/dbraw/zinc/20/07/76/372200776.db2.gz HWWYKFOTAPBLGW-OUAUKWLOSA-N 0 0 281.425 3.205 20 70 CGIDRN Cc1cccc2c(CC(=O)NCC3(C4CC4)CC3)c[nH]c21 ZINC000160019925 372205381 /nfs/dbraw/zinc/20/53/81/372205381.db2.gz ULGVGCGHTKXALO-UHFFFAOYSA-N 0 0 282.387 3.325 20 70 CGIDRN CCCCOCC(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000160051704 372206630 /nfs/dbraw/zinc/20/66/30/372206630.db2.gz TWQFASKLMYHFON-UHFFFAOYSA-N 0 0 285.771 3.128 20 70 CGIDRN CCc1noc(CC)c1CNC(=O)N[C@H](C)CC(C)C ZINC000160050331 372206791 /nfs/dbraw/zinc/20/67/91/372206791.db2.gz UYRGOYYPUIKGDL-LLVKDONJSA-N 0 0 281.400 3.033 20 70 CGIDRN C[C@H](CC(=O)N1CCOCC1(C)C)c1ccc(F)cc1F ZINC000160959061 372291349 /nfs/dbraw/zinc/29/13/49/372291349.db2.gz URDZCCBIJZXOKA-LLVKDONJSA-N 0 0 297.345 3.096 20 70 CGIDRN Cc1ccc(F)cc1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000161014598 372294251 /nfs/dbraw/zinc/29/42/51/372294251.db2.gz LWIMUMAJCGDKNN-ZFWWWQNUSA-N 0 0 292.354 3.213 20 70 CGIDRN C[C@H]1CC[C@H](C)N1C(=O)c1cccc(Nc2cnn(C)c2)c1 ZINC000160407808 372244373 /nfs/dbraw/zinc/24/43/73/372244373.db2.gz CFCUHEHLSLBKQN-STQMWFEESA-N 0 0 298.390 3.177 20 70 CGIDRN COCc1cccc(C(=O)N2CCc3c(F)cccc3C2)c1 ZINC000161085238 372300065 /nfs/dbraw/zinc/30/00/65/372300065.db2.gz YWTFWEHVQCRJBS-UHFFFAOYSA-N 0 0 299.345 3.171 20 70 CGIDRN Cn1ccc(CNC(=O)C[C@H]2CCCCC2(C)C)c1 ZINC000160424865 372246215 /nfs/dbraw/zinc/24/62/15/372246215.db2.gz DTPAUQMRWRYYLH-CQSZACIVSA-N 0 0 262.397 3.248 20 70 CGIDRN CCCCN(C(=O)c1cnc2c(c1)ncn2C)[C@@H](C)CC ZINC000160437433 372248324 /nfs/dbraw/zinc/24/83/24/372248324.db2.gz HEQZCTSUCAQFBF-LBPRGKRZSA-N 0 0 288.395 3.009 20 70 CGIDRN CCc1nnc(CN[C@H](C)c2ccc(F)cc2Cl)[nH]1 ZINC000160448052 372248552 /nfs/dbraw/zinc/24/85/52/372248552.db2.gz TWFQKJLWJZUFNB-MRVPVSSYSA-N 0 0 282.750 3.010 20 70 CGIDRN CCc1c(C(=O)Nc2ccc(C)nc2)cnn1CC(C)C ZINC000160490144 372251628 /nfs/dbraw/zinc/25/16/28/372251628.db2.gz XJVZKVQTRUUTQX-UHFFFAOYSA-N 0 0 286.379 3.057 20 70 CGIDRN CC(C)c1ccc(C(=O)NC(C2CC2)C2CC2)cn1 ZINC000160581924 372259725 /nfs/dbraw/zinc/25/97/25/372259725.db2.gz HXORBGMLFQSZHK-UHFFFAOYSA-N 0 0 258.365 3.123 20 70 CGIDRN O=S(=O)(Cc1ccccc1)N1CCC2(CCCC2)CC1 ZINC000160588753 372261443 /nfs/dbraw/zinc/26/14/43/372261443.db2.gz FEXVKQFCKNSURI-UHFFFAOYSA-N 0 0 293.432 3.173 20 70 CGIDRN CC[C@@H](NC(=O)[C@@H](C)OCCC(C)C)c1c(C)noc1C ZINC000160600453 372261451 /nfs/dbraw/zinc/26/14/51/372261451.db2.gz BZHUAHZQWXJQLQ-ZIAGYGMSSA-N 0 0 296.411 3.310 20 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CC[C@H](NC(=O)c1cccc(C)c1)c1c(C)noc1C ZINC000160052706 372206767 /nfs/dbraw/zinc/20/67/67/372206767.db2.gz QZPJJYOGCWZBIF-AWEZNQCLSA-N 0 0 272.348 3.481 20 70 CGIDRN CCN(C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CC1 ZINC000160927247 372289578 /nfs/dbraw/zinc/28/95/78/372289578.db2.gz FCFYNIZZFJEIHS-GOEBONIOSA-N 0 0 288.391 3.101 20 70 CGIDRN O=C(NOCc1cccnc1)[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000161041129 372296052 /nfs/dbraw/zinc/29/60/52/372296052.db2.gz NSBSHOTXLWABEO-OAGGEKHMSA-N 0 0 288.391 3.236 20 70 CGIDRN CC[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000161066291 372298198 /nfs/dbraw/zinc/29/81/98/372298198.db2.gz YFROOYHKBWAKPS-KGLIPLIRSA-N 0 0 281.783 3.476 20 70 CGIDRN Cc1ccc([C@H](C)CNC(=O)NCc2ccco2)cc1 ZINC000161052041 372298971 /nfs/dbraw/zinc/29/89/71/372298971.db2.gz LKFJRZRBSPQCFO-CYBMUJFWSA-N 0 0 272.348 3.191 20 70 CGIDRN CC1(C)CCC[C@@H](CC(=O)NCC2(CCO)CCC2)C1 ZINC000160478273 372252333 /nfs/dbraw/zinc/25/23/33/372252333.db2.gz ZIVXZHGYJFJZCU-AWEZNQCLSA-N 0 0 281.440 3.262 20 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3.447 20 70 CGIDRN CC(C)c1ccc(CN(C)Cc2csnn2)cc1 ZINC000160668587 372266008 /nfs/dbraw/zinc/26/60/08/372266008.db2.gz XQSBPOQNSCHKTQ-UHFFFAOYSA-N 0 0 261.394 3.294 20 70 CGIDRN COCCc1nsc(N[C@H]2CCCCC2(C)C)n1 ZINC000160689268 372268045 /nfs/dbraw/zinc/26/80/45/372268045.db2.gz SHLYHCFEZVGABD-JTQLQIEISA-N 0 0 269.414 3.108 20 70 CGIDRN Cc1ccc([C@@H](NCc2nncn2C)c2ccccc2)cc1 ZINC000160695680 372268263 /nfs/dbraw/zinc/26/82/63/372268263.db2.gz KWKYDQSVHUSUHX-SFHVURJKSA-N 0 0 292.386 3.003 20 70 CGIDRN CC(C)C[C@@H](CO)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000160709370 372269821 /nfs/dbraw/zinc/26/98/21/372269821.db2.gz OXWSLMTYWCNLOV-ZBFHGGJFSA-N 0 0 277.408 3.094 20 70 CGIDRN Cc1cnccc1CCNC(=O)NC1(C)CCC(C)CC1 ZINC000160810799 372276529 /nfs/dbraw/zinc/27/65/29/372276529.db2.gz PMKWGSVMFYQMGN-UHFFFAOYSA-N 0 0 289.423 3.201 20 70 CGIDRN CCCC1(CNC(=O)c2cc(OC)cs2)CC1 ZINC000160809885 372277944 /nfs/dbraw/zinc/27/79/44/372277944.db2.gz UKIGICSSKZOUBU-UHFFFAOYSA-N 0 0 253.367 3.067 20 70 CGIDRN CCN(Cc1cnn(C)c1)Cc1cc(-c2ccccc2)no1 ZINC000161109503 372301979 /nfs/dbraw/zinc/30/19/79/372301979.db2.gz DZJXFHHZGYWCQU-UHFFFAOYSA-N 0 0 296.374 3.097 20 70 CGIDRN CCN(Cc1ccccn1)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000161101801 372302048 /nfs/dbraw/zinc/30/20/48/372302048.db2.gz HLEPMHRVLIGSOO-LBPRGKRZSA-N 0 0 288.395 3.345 20 70 CGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000160838810 372282007 /nfs/dbraw/zinc/28/20/07/372282007.db2.gz MVASWRCLUPLMIV-BBRMVZONSA-N 0 0 269.348 3.247 20 70 CGIDRN CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)CC1CCCCC1 ZINC000160850250 372282100 /nfs/dbraw/zinc/28/21/00/372282100.db2.gz YSLMWSRRCOCZJE-STQMWFEESA-N 0 0 283.412 3.051 20 70 CGIDRN C[C@@H](CC(=O)c1cccs1)NC(=O)C1CCCCC1 ZINC000160860256 372282950 /nfs/dbraw/zinc/28/29/50/372282950.db2.gz NQZDUYYQRDBWAK-NSHDSACASA-N 0 0 279.405 3.406 20 70 CGIDRN C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CC=CCC1 ZINC000160873665 372282999 /nfs/dbraw/zinc/28/29/99/372282999.db2.gz NOGKDKDSRLIYBO-RYUDHWBXSA-N 0 0 277.389 3.182 20 70 CGIDRN Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2cccnc2)o1 ZINC000160870023 372284081 /nfs/dbraw/zinc/28/40/81/372284081.db2.gz AXKNBZGTDMHEAU-UHFFFAOYSA-N 0 0 282.347 3.005 20 70 CGIDRN COc1cccc(C(=O)N2CCC[C@@H](CC(C)C)C2)c1O ZINC000161103899 372302380 /nfs/dbraw/zinc/30/23/80/372302380.db2.gz VEFYYKJZUWSILK-ZDUSSCGKSA-N 0 0 291.391 3.299 20 70 CGIDRN CCN(Cc1cnn(C)c1)Cc1csc(C(C)C)n1 ZINC000161124066 372304532 /nfs/dbraw/zinc/30/45/32/372304532.db2.gz HNNIBPYUIWGGEQ-UHFFFAOYSA-N 0 0 278.425 3.022 20 70 CGIDRN Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ncn1 ZINC000161184513 372307943 /nfs/dbraw/zinc/30/79/43/372307943.db2.gz GRGZDCHJSUBRAY-UHFFFAOYSA-N 0 0 296.157 3.022 20 70 CGIDRN CCC(CC)n1nccc1C(=O)NCCCOCC(C)C ZINC000161190736 372309921 /nfs/dbraw/zinc/30/99/21/372309921.db2.gz VSPAVQSEXNUDIO-UHFFFAOYSA-N 0 0 295.427 3.037 20 70 CGIDRN CC(C)CCn1ccc(NC(=O)N2[C@H](C)CC[C@H]2C)n1 ZINC000161196067 372309951 /nfs/dbraw/zinc/30/99/51/372309951.db2.gz SWPGXKUIBXYJRE-CHWSQXEVSA-N 0 0 278.400 3.334 20 70 CGIDRN Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2sccc2C)no1 ZINC000161258299 372313035 /nfs/dbraw/zinc/31/30/35/372313035.db2.gz UWOZFEBHUNSYGH-QWHCGFSZSA-N 0 0 290.388 3.115 20 70 CGIDRN O=C(c1csc([C@H]2CCCO2)n1)N1CCCCCCC1 ZINC000161290122 372315057 /nfs/dbraw/zinc/31/50/57/372315057.db2.gz GLGSPSAZDFJXQP-CYBMUJFWSA-N 0 0 294.420 3.401 20 70 CGIDRN CC[C@H](C)[C@@H](C(=O)N1CCC(C)(O)CC1)c1ccccc1 ZINC000161305104 372316360 /nfs/dbraw/zinc/31/63/60/372316360.db2.gz BQCXNROEXQDWES-GOEBONIOSA-N 0 0 289.419 3.190 20 70 CGIDRN C[C@@H]1CC[C@H](C)N1C(=O)c1cccc2ncccc21 ZINC000161392361 372320176 /nfs/dbraw/zinc/32/01/76/372320176.db2.gz HNCRNJYBDNQHAK-TXEJJXNPSA-N 0 0 254.333 3.248 20 70 CGIDRN CC[C@@H](C(=O)N[C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000161375031 372320244 /nfs/dbraw/zinc/32/02/44/372320244.db2.gz CQTNVBGHSFOCIO-HUUCEWRRSA-N 0 0 293.382 3.393 20 70 CGIDRN CCOCCC1(CNC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000161405559 372322175 /nfs/dbraw/zinc/32/21/75/372322175.db2.gz IYSNMVHZXDOMKT-KBPBESRZSA-N 0 0 282.428 3.023 20 70 CGIDRN Cc1ccc([C@@H](C)CNC(=O)NC2(C)CCC2)cc1 ZINC000161425088 372322945 /nfs/dbraw/zinc/32/29/45/372322945.db2.gz KTUBEZQSXPOCGI-ZDUSSCGKSA-N 0 0 260.381 3.340 20 70 CGIDRN CCOc1ccc(NC(=O)N(C)[C@@H]2CCSC2)c(C)c1 ZINC000161429638 372324232 /nfs/dbraw/zinc/32/42/32/372324232.db2.gz ADFIPIFGALCDJC-GFCCVEGCSA-N 0 0 294.420 3.363 20 70 CGIDRN Cc1cccc(Cn2nc(C3CC3)nc2C2CC2)c1 ZINC000161463492 372327850 /nfs/dbraw/zinc/32/78/50/372327850.db2.gz DCCBXIYWCQWZCZ-UHFFFAOYSA-N 0 0 253.349 3.390 20 70 CGIDRN C[C@@H]1CC[C@H](C)N1C(=O)c1cnc(-c2ccccn2)s1 ZINC000161485702 372328600 /nfs/dbraw/zinc/32/86/00/372328600.db2.gz AFVWEXYODSKUOD-PHIMTYICSA-N 0 0 287.388 3.218 20 70 CGIDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1cnc(-c2ccccn2)s1 ZINC000161485942 372328806 /nfs/dbraw/zinc/32/88/06/372328806.db2.gz AFVWEXYODSKUOD-GHMZBOCLSA-N 0 0 287.388 3.218 20 70 CGIDRN CCCCOc1ccccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000161485918 372329641 /nfs/dbraw/zinc/32/96/41/372329641.db2.gz AGQHDSMADZDYPM-INIZCTEOSA-N 0 0 292.379 3.166 20 70 CGIDRN Cc1cc(C[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000161508810 372331542 /nfs/dbraw/zinc/33/15/42/372331542.db2.gz BLANWDOOSCAEPN-LBPRGKRZSA-N 0 0 299.418 3.377 20 70 CGIDRN O=C(Nc1ccccn1)N[C@@H]1CCCc2sccc21 ZINC000161168469 284372711 /nfs/dbraw/zinc/37/27/11/284372711.db2.gz GPROPSZDDBJNOF-LLVKDONJSA-N 0 0 273.361 3.342 20 70 CGIDRN CCOC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000159553339 321836588 /nfs/dbraw/zinc/83/65/88/321836588.db2.gz OCMTVYSWTDKDJR-AWEZNQCLSA-N 0 0 267.344 3.066 20 70 CGIDRN CCC(CC)(CC)CNC(=O)N(C)C[C@@H]1CCCCO1 ZINC000159547550 321836684 /nfs/dbraw/zinc/83/66/84/321836684.db2.gz GZZSFPXORFLZLF-AWEZNQCLSA-N 0 0 284.444 3.413 20 70 CGIDRN CCOc1ccc(CNC(=O)Nc2cc(C)ccn2)cc1 ZINC000217301022 376172769 /nfs/dbraw/zinc/17/27/69/376172769.db2.gz RYNMLGGXZJLRNA-UHFFFAOYSA-N 0 0 285.347 3.110 20 70 CGIDRN CC(C)OCCCNC(=O)Nc1c(F)cccc1Cl ZINC000217313201 376172999 /nfs/dbraw/zinc/17/29/99/376172999.db2.gz SMIQFWYOANOZBH-UHFFFAOYSA-N 0 0 288.750 3.416 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CC(=O)c1ccc(C(=O)Nc2ccc3[nH]cnc3c2)cc1 ZINC000217726629 346291083 /nfs/dbraw/zinc/29/10/83/346291083.db2.gz RGAKXKYSZYOMJZ-UHFFFAOYSA-N 0 0 279.299 3.018 20 70 CGIDRN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCCC1 ZINC000217806621 346291987 /nfs/dbraw/zinc/29/19/87/346291987.db2.gz HOVHKJPHKDFKPE-QWHCGFSZSA-N 0 0 294.192 3.175 20 70 CGIDRN COCc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 ZINC000159899112 188446904 /nfs/dbraw/zinc/44/69/04/188446904.db2.gz JNJORJUODXGKFL-UHFFFAOYSA-N 0 0 279.723 3.009 20 70 CGIDRN Cc1cc(Oc2ccc(NC(=O)C(C)(C)F)cc2)n[nH]1 ZINC000159903924 188447142 /nfs/dbraw/zinc/44/71/42/188447142.db2.gz BDEXURFICFXPHL-UHFFFAOYSA-N 0 0 277.299 3.197 20 70 CGIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(F)c1 ZINC000160168551 188458908 /nfs/dbraw/zinc/45/89/08/188458908.db2.gz SOBURPARLCLMBW-AWEZNQCLSA-N 0 0 277.339 3.047 20 70 CGIDRN CC(=O)c1c(F)cccc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160412982 188470658 /nfs/dbraw/zinc/47/06/58/188470658.db2.gz BWZAGASVOJMCNS-WFASDCNBSA-N 0 0 277.339 3.398 20 70 CGIDRN Cc1c(NC(=O)N[C@@H]2C[C@H]2C)cnn1-c1cc(C)ccc1C ZINC000160744118 188488839 /nfs/dbraw/zinc/48/88/39/188488839.db2.gz QCRHTKGZYQWZBN-TZMCWYRMSA-N 0 0 298.390 3.327 20 70 CGIDRN O=C(CCOc1ccccc1)N1CCc2c(F)cccc2C1 ZINC000160784072 188491395 /nfs/dbraw/zinc/49/13/95/188491395.db2.gz CSSUHGQTWKLLRQ-UHFFFAOYSA-N 0 0 299.345 3.180 20 70 CGIDRN CCNC(=O)[C@@H](CC)Cc1ccccc1Br ZINC000160892464 188496462 /nfs/dbraw/zinc/49/64/62/188496462.db2.gz KFDWKPQMWWSBEP-JTQLQIEISA-N 0 0 284.197 3.154 20 70 CGIDRN CCc1nc([C@@H](C)N[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000160904671 188497545 /nfs/dbraw/zinc/49/75/45/188497545.db2.gz UYTMUVYQTZEFSN-ZJUUUORDSA-N 0 0 284.425 3.086 20 70 CGIDRN CC(C)c1ccccc1OS(=O)(=O)C[C@H]1CCCCO1 ZINC000216882413 189706907 /nfs/dbraw/zinc/70/69/07/189706907.db2.gz VONWXWFCUYJNKG-CYBMUJFWSA-N 0 0 298.404 3.088 20 70 CGIDRN CCN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H](C)C(C)C ZINC000161120860 284187066 /nfs/dbraw/zinc/18/70/66/284187066.db2.gz CSQGHYTZBMJUNM-BARDWOONSA-N 0 0 294.439 3.020 20 70 CGIDRN CCc1noc(C)c1CNc1ccccc1-n1cccn1 ZINC000159394206 372138789 /nfs/dbraw/zinc/13/87/89/372138789.db2.gz IJMOWCBZACCVPM-UHFFFAOYSA-N 0 0 282.347 3.343 20 70 CGIDRN CCc1noc(C)c1CNc1ccc(OC)c(F)c1 ZINC000159398793 372139915 /nfs/dbraw/zinc/13/99/15/372139915.db2.gz YYORQLUEPUODED-UHFFFAOYSA-N 0 0 264.300 3.305 20 70 CGIDRN Cn1nncc1CNc1cccc(-c2cccs2)c1 ZINC000159393012 372140046 /nfs/dbraw/zinc/14/00/46/372140046.db2.gz AUFCHRGARWYVMU-UHFFFAOYSA-N 0 0 270.361 3.156 20 70 CGIDRN CCc1nnc([C@@H](C)N[C@H](C)c2cccc(F)c2F)o1 ZINC000159406620 372140716 /nfs/dbraw/zinc/14/07/16/372140716.db2.gz AXRQIKOLQJMERN-RKDXNWHRSA-N 0 0 281.306 3.322 20 70 CGIDRN CCc1ccc(NC(=O)N[C@@H](CC)[C@@H]2CCCO2)cc1 ZINC000159409734 372140846 /nfs/dbraw/zinc/14/08/46/372140846.db2.gz VHIJLEWGQVLHOS-GJZGRUSLSA-N 0 0 276.380 3.328 20 70 CGIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCc1cccnc1 ZINC000159409416 372141678 /nfs/dbraw/zinc/14/16/78/372141678.db2.gz KLOOOHORKINUAM-CHWSQXEVSA-N 0 0 273.357 3.298 20 70 CGIDRN CCOc1ccccc1NC(=O)N(C)[C@@H]1CCSC1 ZINC000159454407 372144377 /nfs/dbraw/zinc/14/43/77/372144377.db2.gz DQIUWFVZAKTNLT-LLVKDONJSA-N 0 0 280.393 3.055 20 70 CGIDRN O=C(Oc1cccc(Cl)c1Cl)[C@@H]1CCCCO1 ZINC000159557149 372155619 /nfs/dbraw/zinc/15/56/19/372155619.db2.gz BCZSRGNRTWSYPR-JTQLQIEISA-N 0 0 275.131 3.468 20 70 CGIDRN Cc1noc(C)c1C[C@@H](C)Nc1nc(C(C)(C)C)ns1 ZINC000159569183 372155629 /nfs/dbraw/zinc/15/56/29/372155629.db2.gz PQLJMXZCRKZEFL-MRVPVSSYSA-N 0 0 294.424 3.484 20 70 CGIDRN COCCOCCCCNc1nc2ccc(F)cc2s1 ZINC000159555193 372155787 /nfs/dbraw/zinc/15/57/87/372155787.db2.gz ABWQAYWFQLGGTQ-UHFFFAOYSA-N 0 0 298.383 3.291 20 70 CGIDRN Cc1ccccc1NC(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000159580161 372157690 /nfs/dbraw/zinc/15/76/90/372157690.db2.gz DMYATXNLGWREST-HNNXBMFYSA-N 0 0 298.390 3.270 20 70 CGIDRN CSc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)o1 ZINC000159631037 372163409 /nfs/dbraw/zinc/16/34/09/372163409.db2.gz SXCWSDNMDXSWHS-LLVKDONJSA-N 0 0 295.404 3.223 20 70 CGIDRN CCCc1nc(CN2CCC[C@H]2c2cccc(C)n2)no1 ZINC000159789405 372181785 /nfs/dbraw/zinc/18/17/85/372181785.db2.gz QFMKRXOMDMPLOI-AWEZNQCLSA-N 0 0 286.379 3.063 20 70 CGIDRN O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1=CCCC1 ZINC000159670602 372166764 /nfs/dbraw/zinc/16/67/64/372166764.db2.gz OXAAZOPYAPEFRI-AWEZNQCLSA-N 0 0 290.432 3.112 20 70 CGIDRN CCc1noc(C)c1CSC[C@@H]1CCCCO1 ZINC000159676160 372168763 /nfs/dbraw/zinc/16/87/63/372168763.db2.gz GOVIWSSBCOEDEJ-NSHDSACASA-N 0 0 255.383 3.348 20 70 CGIDRN CSCCCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000159715609 372171436 /nfs/dbraw/zinc/17/14/36/372171436.db2.gz WOXZLUBFLCKDEU-CYBMUJFWSA-N 0 0 266.410 3.212 20 70 CGIDRN CC[C@H]1CCC[C@@H]1NC(=O)CSCc1ccccn1 ZINC000159759455 372175545 /nfs/dbraw/zinc/17/55/45/372175545.db2.gz FQFJPKFFPXNULT-JSGCOSHPSA-N 0 0 278.421 3.010 20 70 CGIDRN Cc1nc2cc(NC(=O)CCCn3cccc3)ccc2n1C ZINC000159745709 372175637 /nfs/dbraw/zinc/17/56/37/372175637.db2.gz PIZPAZRVMWNLEO-UHFFFAOYSA-N 0 0 296.374 3.102 20 70 CGIDRN CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccccc1OC ZINC000160072471 372208262 /nfs/dbraw/zinc/20/82/62/372208262.db2.gz FDDKCEXCWAXVGS-HNNXBMFYSA-N 0 0 277.408 3.289 20 70 CGIDRN CCOc1ccccc1[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160069243 372209067 /nfs/dbraw/zinc/20/90/67/372209067.db2.gz CKQKGUGLRXYWSJ-AWEZNQCLSA-N 0 0 277.408 3.289 20 70 CGIDRN CCCn1nc(C)c([C@@H]2NC(=O)c3cccc(C)c3N2)c1C ZINC000160146660 372218772 /nfs/dbraw/zinc/21/87/72/372218772.db2.gz OJXXBQZVOAGFNG-INIZCTEOSA-N 0 0 298.390 3.072 20 70 CGIDRN O=C(NCCC1=CCCC1)c1cc2ccccn2c1 ZINC000160167232 372220199 /nfs/dbraw/zinc/22/01/99/372220199.db2.gz WTGUQZJMRFUQBB-UHFFFAOYSA-N 0 0 254.333 3.170 20 70 CGIDRN CC(C)n1nccc1C(=O)NC[C@@H](C)Cc1cccs1 ZINC000160178554 372222911 /nfs/dbraw/zinc/22/29/11/372222911.db2.gz MNBQVHIXYCSBTD-LBPRGKRZSA-N 0 0 291.420 3.134 20 70 CGIDRN CC[C@@H](C(=O)N[C@H](C)CSC)c1ccc(F)cc1 ZINC000160205435 372224427 /nfs/dbraw/zinc/22/44/27/372224427.db2.gz YOCHNAWNVOZYBO-ZWNOBZJWSA-N 0 0 269.385 3.187 20 70 CGIDRN C[C@@H]1CCC[C@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000160222352 372226875 /nfs/dbraw/zinc/22/68/75/372226875.db2.gz MVUKGURKYDZCTC-AOOOYVTPSA-N 0 0 285.309 3.436 20 70 CGIDRN Cc1ccc2oc(C(=O)NCCc3cccc(O)c3)cc2c1 ZINC000160234365 372227465 /nfs/dbraw/zinc/22/74/65/372227465.db2.gz KYFSXXWOBWWLNS-UHFFFAOYSA-N 0 0 295.338 3.419 20 70 CGIDRN CN(Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCCO1 ZINC000160272435 372231595 /nfs/dbraw/zinc/23/15/95/372231595.db2.gz LIUYHIXKMYINBI-LBPRGKRZSA-N 0 0 290.338 3.092 20 70 CGIDRN CCc1oc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1C ZINC000160274527 372232563 /nfs/dbraw/zinc/23/25/63/372232563.db2.gz ATNHQFUBCBIQJC-CYBMUJFWSA-N 0 0 291.391 3.372 20 70 CGIDRN CC(C)OC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000160325359 372236960 /nfs/dbraw/zinc/23/69/60/372236960.db2.gz HEROTISSYQXECR-UHFFFAOYSA-N 0 0 261.243 3.340 20 70 CGIDRN Cc1nc2c(c(N[C@H]3CCO[C@H](C4CC4)C3)n1)CCCC2 ZINC000160374958 372242994 /nfs/dbraw/zinc/24/29/94/372242994.db2.gz YMIRJTOGIVDHGB-BBRMVZONSA-N 0 0 287.407 3.033 20 70 CGIDRN CC(C)[C@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ns1 ZINC000159838971 372184372 /nfs/dbraw/zinc/18/43/72/372184372.db2.gz IORAEQFRHMWXEW-WDEREUQCSA-N 0 0 283.441 3.309 20 70 CGIDRN COc1ccc(N(C)C(=O)[C@@H](C)OCCC(C)C)cc1F ZINC000159838389 372184972 /nfs/dbraw/zinc/18/49/72/372184972.db2.gz IFNVWUORKAZSOQ-GFCCVEGCSA-N 0 0 297.370 3.248 20 70 CGIDRN COC[C@H](NC(=O)Nc1cccc(C(F)F)c1)C1CC1 ZINC000159822553 372185585 /nfs/dbraw/zinc/18/55/85/372185585.db2.gz AOHYBQUCCGRECX-LBPRGKRZSA-N 0 0 284.306 3.171 20 70 CGIDRN CC[C@H](C)OCC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000159871649 372189376 /nfs/dbraw/zinc/18/93/76/372189376.db2.gz CJPSMKCBSGGLKX-WFASDCNBSA-N 0 0 279.355 3.304 20 70 CGIDRN Cc1cc(CN2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000159886485 372190852 /nfs/dbraw/zinc/19/08/52/372190852.db2.gz PKVRJONTWWTADK-OAHLLOKOSA-N 0 0 257.337 3.024 20 70 CGIDRN CCCCN(C)C(=O)Nc1cnn(CCCC)c1C ZINC000159918375 372193278 /nfs/dbraw/zinc/19/32/78/372193278.db2.gz ITJZCUXVOIPFPA-UHFFFAOYSA-N 0 0 266.389 3.255 20 70 CGIDRN CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccn(CCC(C)C)n1 ZINC000159921432 372195001 /nfs/dbraw/zinc/19/50/01/372195001.db2.gz RZBOILXSKLPYCQ-UONOGXRCSA-N 0 0 294.443 3.034 20 70 CGIDRN CNC(=O)c1ccc(NC(=O)Nc2cscc2C)cc1 ZINC000159940390 372196361 /nfs/dbraw/zinc/19/63/61/372196361.db2.gz YOFURQAQZICZQS-UHFFFAOYSA-N 0 0 289.360 3.060 20 70 CGIDRN COCc1nc(C)c(C(=O)NC[C@H]2CCCC[C@H]2C)s1 ZINC000159985150 372201253 /nfs/dbraw/zinc/20/12/53/372201253.db2.gz QRXHYTNQLBBIHP-ZYHUDNBSSA-N 0 0 296.436 3.154 20 70 CGIDRN CCC(CC)(CC)CNC(=O)NCC(C)(C)C[C@@H](C)O ZINC000160036672 372204966 /nfs/dbraw/zinc/20/49/66/372204966.db2.gz YOPWMXVTDYXOHS-CYBMUJFWSA-N 0 0 286.460 3.299 20 70 CGIDRN CCc1noc(C)c1CS[C@H](C)C(=O)NC(C)(C)CC ZINC000160021173 372205074 /nfs/dbraw/zinc/20/50/74/372205074.db2.gz ISAKHOMDOKXXBV-LLVKDONJSA-N 0 0 298.452 3.472 20 70 CGIDRN CCc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000160047508 372206428 /nfs/dbraw/zinc/20/64/28/372206428.db2.gz OCKLLQRQNKEMTE-GHMZBOCLSA-N 0 0 297.830 3.144 20 70 CGIDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCCCO1 ZINC000161119922 372302516 /nfs/dbraw/zinc/30/25/16/372302516.db2.gz OXWHONRATXTWFU-SMDDNHRTSA-N 0 0 281.783 3.429 20 70 CGIDRN CCc1nc(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000160997833 372294340 /nfs/dbraw/zinc/29/43/40/372294340.db2.gz PTNIZIJGQWWNGA-CHWSQXEVSA-N 0 0 296.374 3.019 20 70 CGIDRN CCc1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000161016527 372294702 /nfs/dbraw/zinc/29/47/02/372294702.db2.gz XJNNLSWYJVKYIY-HOTGVXAUSA-N 0 0 288.391 3.328 20 70 CGIDRN Cc1noc(C)c1[C@@H](C)CC(=O)N(C)CCC1CC1 ZINC000161025917 372296392 /nfs/dbraw/zinc/29/63/92/372296392.db2.gz WNXQVWQYPKWWMG-JTQLQIEISA-N 0 0 264.369 3.044 20 70 CGIDRN Cc1nc(CC(C)C)c(NC(=O)NOCC(C)C)s1 ZINC000161029795 372297156 /nfs/dbraw/zinc/29/71/56/372297156.db2.gz FXYVFCKWGRGUJG-UHFFFAOYSA-N 0 0 285.413 3.359 20 70 CGIDRN CCCC(O)(CCC)CC(=O)Nc1cc([C@H]2C[C@H]2C)[nH]n1 ZINC000161035155 372297470 /nfs/dbraw/zinc/29/74/70/372297470.db2.gz JAKSUUZZFMJRAU-NEPJUHHUSA-N 0 0 293.411 3.193 20 70 CGIDRN CCc1noc(C)c1C[S@@](=O)c1cc(F)ccc1F ZINC000161056201 372298318 /nfs/dbraw/zinc/29/83/18/372298318.db2.gz HIUDEEXJODHDIA-IBGZPJMESA-N 0 0 285.315 3.131 20 70 CGIDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1F ZINC000160390280 372244079 /nfs/dbraw/zinc/24/40/79/372244079.db2.gz KCXATCHSLHNTRI-ZDUSSCGKSA-N 0 0 291.366 3.437 20 70 CGIDRN CC[C@H](c1ccccc1)S(=O)(=O)[C@H](C)c1nnc(C)o1 ZINC000160433329 372246412 /nfs/dbraw/zinc/24/64/12/372246412.db2.gz IMHSIKXCIIEOQC-ZWNOBZJWSA-N 0 0 294.376 3.005 20 70 CGIDRN CC[C@@H](C)N(C)c1cc(C)nc(-c2ccncc2)n1 ZINC000160439048 372247451 /nfs/dbraw/zinc/24/74/51/372247451.db2.gz PTZHHFUMHGMDJN-GFCCVEGCSA-N 0 0 256.353 3.082 20 70 CGIDRN COc1ccc(NC(=O)C2(CC(C)C)CCC2)cc1N ZINC000161087030 372300266 /nfs/dbraw/zinc/30/02/66/372300266.db2.gz DRODHHPJTFTCGC-UHFFFAOYSA-N 0 0 276.380 3.432 20 70 CGIDRN CC[C@@H](C)NC(=O)c1ccccc1NCc1ccco1 ZINC000160459763 372249546 /nfs/dbraw/zinc/24/95/46/372249546.db2.gz OOZYULYRJMXSAY-GFCCVEGCSA-N 0 0 272.348 3.420 20 70 CGIDRN CC[C@H](C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1c(C)noc1C ZINC000161083891 372300602 /nfs/dbraw/zinc/30/06/02/372300602.db2.gz CEQZUQULBZFHEL-XHSDSOJGSA-N 0 0 298.386 3.457 20 70 CGIDRN COc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000160517581 372254440 /nfs/dbraw/zinc/25/44/40/372254440.db2.gz IXHHRMWJGKRNHR-GFCCVEGCSA-N 0 0 277.364 3.420 20 70 CGIDRN CSC[C@H]1CCCN1C(=O)C[C@H](C)c1c(C)noc1C ZINC000160530546 372256067 /nfs/dbraw/zinc/25/60/67/372256067.db2.gz SVAJIANZWJISGK-GXFFZTMASA-N 0 0 296.436 3.139 20 70 CGIDRN CCCC1(CNC(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000160547550 372257913 /nfs/dbraw/zinc/25/79/13/372257913.db2.gz XGYZKSADOSMWOQ-FQEVSTJZSA-N 0 0 294.420 3.126 20 70 CGIDRN CCCC1(CNC(=O)CSc2ccc(O)cc2)CC1 ZINC000160592577 372261522 /nfs/dbraw/zinc/26/15/22/372261522.db2.gz IQCVLBLNERXNNB-UHFFFAOYSA-N 0 0 279.405 3.181 20 70 CGIDRN CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000161080803 372300995 /nfs/dbraw/zinc/30/09/95/372300995.db2.gz 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CCCC[C@H](NC(=O)[C@H](C)CC)C(=O)OC(C)(C)C ZINC000161211233 321864719 /nfs/dbraw/zinc/86/47/19/321864719.db2.gz ZJFIAIJULOORBV-NEPJUHHUSA-N 0 0 271.401 3.049 20 70 CGIDRN CCCC[C@H](NC(=O)c1ccsc1)C(=O)OC(C)(C)C ZINC000161245197 321865181 /nfs/dbraw/zinc/86/51/81/321865181.db2.gz JJLWFYBDXNFFCR-LBPRGKRZSA-N 0 0 297.420 3.378 20 70 CGIDRN CCOCCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000161298045 321865922 /nfs/dbraw/zinc/86/59/22/321865922.db2.gz KLLQIHKBBOQZAQ-KBPBESRZSA-N 0 0 255.402 3.230 20 70 CGIDRN C[C@@H]1CC[C@@H](C)N1C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000161467549 321868167 /nfs/dbraw/zinc/86/81/67/321868167.db2.gz XMFYWQQNHRHZME-VXGBXAGGSA-N 0 0 279.355 3.383 20 70 CGIDRN CC(C)CC[C@H](C)NC(=O)NCCc1ccccc1F ZINC000218052160 572870411 /nfs/dbraw/zinc/87/04/11/572870411.db2.gz IPKBSBZWQWQUPY-ZDUSSCGKSA-N 0 0 280.387 3.492 20 70 CGIDRN Cc1cc(F)ccc1NC(=O)N(C)CCc1nccs1 ZINC000160122612 533879886 /nfs/dbraw/zinc/87/98/86/533879886.db2.gz FTFLYMYTADTJIR-UHFFFAOYSA-N 0 0 293.367 3.297 20 70 CGIDRN 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