smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1CCCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176298419 1081094511 /nfs/dbraw/zinc/09/45/11/1081094511.db2.gz IHXJZQZDJUKZQZ-HZPDHXFCSA-N 0 0 357.479 4.294 10 0 FIAERN CCc1csc([C@H]2CCCN(C(=O)N[C@H]3CCCc4occc43)C2)n1 ZINC000113594690 1081250146 /nfs/dbraw/zinc/25/01/46/1081250146.db2.gz FQTMNYGHDSVKFX-BBRMVZONSA-N 0 0 359.495 4.265 10 0 FIAERN O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2c(cc1F)NC(=O)CC2 ZINC000328726680 1081936138 /nfs/dbraw/zinc/93/61/38/1081936138.db2.gz UPXYQUCYARXZHJ-UHFFFAOYSA-N 0 0 372.827 4.040 10 0 FIAERN Cc1nc(C[C@H]2CCCN(C(=O)C3(c4cccs4)CCCCC3)C2)no1 ZINC000119637767 1082193965 /nfs/dbraw/zinc/19/39/65/1082193965.db2.gz UNQUCJUARPOIOP-MRXNPFEDSA-N 0 0 373.522 4.123 10 0 FIAERN CC(C)(C)[C@H]1C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000408027788 1082565986 /nfs/dbraw/zinc/56/59/86/1082565986.db2.gz MPJZRLGARKLOGL-NWINJMCUSA-N 0 0 350.425 4.000 10 0 FIAERN CSc1ccc(Cl)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000166054272 1084302795 /nfs/dbraw/zinc/30/27/95/1084302795.db2.gz HHLIJKWKVQVNMJ-SJCJKPOMSA-N 0 0 354.903 4.221 10 0 FIAERN CSc1ccc(Cl)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000166054158 1084303636 /nfs/dbraw/zinc/30/36/36/1084303636.db2.gz HHLIJKWKVQVNMJ-YVEFUNNKSA-N 0 0 354.903 4.221 10 0 FIAERN O=C(NC1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1)C1CCCC1 ZINC000332743682 1084815425 /nfs/dbraw/zinc/81/54/25/1084815425.db2.gz RBPOVUURAOQMAE-GRERDSQWSA-N 0 0 368.521 4.045 10 0 FIAERN CC(C)[C@@H]1C[C@@H](NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000332789997 1084859369 /nfs/dbraw/zinc/85/93/69/1084859369.db2.gz ARAOIJULWHTOQC-QRFRQXIXSA-N 0 0 372.509 4.326 10 0 FIAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000408123061 1085182967 /nfs/dbraw/zinc/18/29/67/1085182967.db2.gz DADMGHOPHNCYOD-HGMXIMQMSA-N 0 0 374.378 4.460 10 0 FIAERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)n1 ZINC000329087746 1085268899 /nfs/dbraw/zinc/26/88/99/1085268899.db2.gz HNBAGSOJECJBLH-KRWDZBQOSA-N 0 0 370.453 4.144 10 0 FIAERN c1ccc2[nH]c([C@@H]3CCCN3c3ncnc4sc5c(c43)CCC5)nc2c1 ZINC000301626896 1085287102 /nfs/dbraw/zinc/28/71/02/1085287102.db2.gz QPCLJYSYHIAOKQ-HNNXBMFYSA-N 0 0 361.474 4.398 10 0 FIAERN CSc1nc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)c2ccccn21 ZINC000329099267 1085490079 /nfs/dbraw/zinc/49/00/79/1085490079.db2.gz MDNNMXNKLZENJM-CQSZACIVSA-N 0 0 372.519 4.189 10 0 FIAERN Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3c3nc(C)cs3)cc2)c1 ZINC000329101198 1085517970 /nfs/dbraw/zinc/51/79/70/1085517970.db2.gz MWOFFEZQKVZZKJ-GOSISDBHSA-N 0 0 366.490 4.313 10 0 FIAERN Cc1ccc([C@H]2CCCN2C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)o1 ZINC000408180165 1085608911 /nfs/dbraw/zinc/60/89/11/1085608911.db2.gz NOIZIFIBYCLUKF-OAHLLOKOSA-N 0 0 354.450 4.357 10 0 FIAERN C[C@H]1SCCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@@H]1C ZINC000184372536 1086079160 /nfs/dbraw/zinc/07/91/60/1086079160.db2.gz WLKPAOSGWOKRPE-NXEZZACHSA-N 0 0 368.915 4.216 10 0 FIAERN C[C@@H](NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccncc1 ZINC000155019720 1086467172 /nfs/dbraw/zinc/46/71/72/1086467172.db2.gz CNCMRHUYOXMEGK-AUUYWEPGSA-N 0 0 366.852 4.280 10 0 FIAERN Cc1c([C@H](C)N[C@H](c2ccccc2)c2ccncc2)cnn1-c1ccccn1 ZINC000156249810 1086656057 /nfs/dbraw/zinc/65/60/57/1086656057.db2.gz UAJQUTWOWLYXJH-GAJHUEQPSA-N 0 0 369.472 4.411 10 0 FIAERN Cc1c(NC(=O)N2CCC[C@@H](c3nccs3)C2)cnn1-c1ccccc1 ZINC000156862477 1086779978 /nfs/dbraw/zinc/77/99/78/1086779978.db2.gz SKHZEJRZEWCRAF-OAHLLOKOSA-N 0 0 367.478 4.049 10 0 FIAERN C[C@@H](c1ncc(-c2ccccc2)o1)[S@@](=O)c1ccc2c(c1)OCCCO2 ZINC000157026653 1086829905 /nfs/dbraw/zinc/82/99/05/1086829905.db2.gz XDWAMTIMJMWOLP-RXBISOJRSA-N 0 0 369.442 4.372 10 0 FIAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000157478098 1086934872 /nfs/dbraw/zinc/93/48/72/1086934872.db2.gz BRKHFCLPJVNOGD-MRXNPFEDSA-N 0 0 370.497 4.084 10 0 FIAERN CN(C(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCCc2c1cnn2C ZINC000157850856 1086987035 /nfs/dbraw/zinc/98/70/35/1086987035.db2.gz OSEVNXTWWSHSGX-RHSMWYFYSA-N 0 0 360.527 4.288 10 0 FIAERN Cc1ccccc1C1(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)CCCCC1 ZINC000329549674 1087024005 /nfs/dbraw/zinc/02/40/05/1087024005.db2.gz BPHHYGUICSJJIU-MJGOQNOKSA-N 0 0 367.493 4.164 10 0 FIAERN Clc1cccc(C2(c3nc([C@H]4CN5CCC[C@H]5CO4)no3)CCCC2)c1 ZINC000329703817 1087204388 /nfs/dbraw/zinc/20/43/88/1087204388.db2.gz IMGOWRGHNIQBDB-DLBZAZTESA-N 0 0 373.884 4.119 10 0 FIAERN Cc1c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cnn1C1CCOCC1 ZINC000159328195 1087234204 /nfs/dbraw/zinc/23/42/04/1087234204.db2.gz MWDOIQPAYTYLIC-HNNXBMFYSA-N 0 0 369.509 4.332 10 0 FIAERN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[C@H]4C3)c12 ZINC000152733622 1087351167 /nfs/dbraw/zinc/35/11/67/1087351167.db2.gz GIBGLYDYADZXME-HOTGVXAUSA-N 0 0 366.509 4.244 10 0 FIAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000407965098 1088495255 /nfs/dbraw/zinc/49/52/55/1088495255.db2.gz UYGIDKWUBMYNDT-PBFPGSCMSA-N 0 0 363.889 4.227 10 0 FIAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000407975039 1088587340 /nfs/dbraw/zinc/58/73/40/1088587340.db2.gz FTPDWRMXUUEMLH-HXUWFJFHSA-N 0 0 369.509 4.499 10 0 FIAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000408024515 1088880122 /nfs/dbraw/zinc/88/01/22/1088880122.db2.gz CLVUIMBMCZNABC-PIMMBPRGSA-N 0 0 356.388 4.157 10 0 FIAERN CC(C)C1CCC(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000183312929 1088982902 /nfs/dbraw/zinc/98/29/02/1088982902.db2.gz LSXVZBSGGGOJHJ-DAWZGUTISA-N 0 0 373.545 4.066 10 0 FIAERN C[C@@H]1C[C@@H](C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)CC(C)(C)C1 ZINC000183370697 1088993637 /nfs/dbraw/zinc/99/36/37/1088993637.db2.gz NKRLRKCDPYGOQR-IAGOWNOFSA-N 0 0 371.525 4.262 10 0 FIAERN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3C(C)(C)C)CC2)nc1 ZINC000174424464 1089381144 /nfs/dbraw/zinc/38/11/44/1089381144.db2.gz QBHWCWAJRDQCJY-UHFFFAOYSA-N 0 0 366.509 4.478 10 0 FIAERN C[C@H]1C[C@@H](c2cccs2)CN1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377805663 1089827965 /nfs/dbraw/zinc/82/79/65/1089827965.db2.gz WRHWUZZQIYLBTL-UONOGXRCSA-N 0 0 371.462 4.115 10 0 FIAERN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)NC1CCC(O)CC1 ZINC000107758224 1090288809 /nfs/dbraw/zinc/28/88/09/1090288809.db2.gz BXMNJCMABYBZPS-OOHWJJMZSA-N 0 0 373.522 4.091 10 0 FIAERN C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)[C@H]1C ZINC000408074956 1090374179 /nfs/dbraw/zinc/37/41/79/1090374179.db2.gz XYHXZCAIDHJBRN-CABCVRRESA-N 0 0 373.497 4.110 10 0 FIAERN Cc1cccnc1[C@@H](NC(=O)N[C@H]1CCCc2c(O)cccc21)C(C)C ZINC000188996366 1090957153 /nfs/dbraw/zinc/95/71/53/1090957153.db2.gz NLMFULZWUXUENZ-HKUYNNGSSA-N 0 0 353.466 4.170 10 0 FIAERN O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC(n2cncn2)CC1 ZINC000109696737 1091542345 /nfs/dbraw/zinc/54/23/45/1091542345.db2.gz FMHDVIPFUGNPBX-UHFFFAOYSA-N 0 0 372.881 4.137 10 0 FIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@H]3c3cc(F)ccc3F)CC2)n1 ZINC000163100189 1091854449 /nfs/dbraw/zinc/85/44/49/1091854449.db2.gz OTEKXVRZCXZZNR-GOEBONIOSA-N 0 0 362.445 4.239 10 0 FIAERN Cc1c(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)oc2c1C(=O)CCC2 ZINC000408400932 1092259270 /nfs/dbraw/zinc/25/92/70/1092259270.db2.gz YSZBVNCABVXUSE-MRXNPFEDSA-N 0 0 351.446 4.373 10 0 FIAERN O=C(NC1CCC2(CCOCC2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000408414234 1092718001 /nfs/dbraw/zinc/71/80/01/1092718001.db2.gz KMOYYSULHRBEHH-HIFRSBDPSA-N 0 0 362.436 4.146 10 0 FIAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000332777039 1092927708 /nfs/dbraw/zinc/92/77/08/1092927708.db2.gz PQTUEMNDNRDVRR-YOEHRIQHSA-N 0 0 374.481 4.292 10 0 FIAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248201076 1093578239 /nfs/dbraw/zinc/57/82/39/1093578239.db2.gz YSAWNPXNHFLXFW-WJFTUGDTSA-N 0 0 370.493 4.080 10 0 FIAERN O=C(NC[C@@H]1CCOC2(CCC2)C1)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000333173638 1093672584 /nfs/dbraw/zinc/67/25/84/1093672584.db2.gz JZBPSJZTLJTLQK-KFWWJZLASA-N 0 0 362.436 4.004 10 0 FIAERN CC1(C)CCC[C@H](CNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000333188490 1093696745 /nfs/dbraw/zinc/69/67/45/1093696745.db2.gz NMIXUNAHVDLNFK-XHSDSOJGSA-N 0 0 350.528 4.484 10 0 FIAERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(n2)CCCC3=O)C1 ZINC000333197176 1093718973 /nfs/dbraw/zinc/71/89/73/1093718973.db2.gz PWWXCBCCKHLMPY-FZKQIMNGSA-N 0 0 367.424 4.355 10 0 FIAERN CC(C)Cn1ncc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1C1CC1 ZINC000333235847 1093795230 /nfs/dbraw/zinc/79/52/30/1093795230.db2.gz YXEJPZPOKMUHLL-JJDSTIRJSA-N 0 0 356.514 4.316 10 0 FIAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc2ccccc21 ZINC000246575746 1094076522 /nfs/dbraw/zinc/07/65/22/1094076522.db2.gz BYZZAEVBNGTJHI-SGXKBVARSA-N 0 0 352.478 4.237 10 0 FIAERN Cc1cc2oc(=NCc3cnc([C@H]4CCCO4)s3)[nH]c2c(C)c1Cl ZINC000329485638 1094930649 /nfs/dbraw/zinc/93/06/49/1094930649.db2.gz QVNKNMIIOKCZPQ-GFCCVEGCSA-N 0 0 363.870 4.440 10 0 FIAERN CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@H]2CCCc3sccc32)[nH]1 ZINC000329540158 1094961612 /nfs/dbraw/zinc/96/16/12/1094961612.db2.gz CUYADEFGRGJEFK-GJZGRUSLSA-N 0 0 358.511 4.163 10 0 FIAERN O=C1C[C@@H](c2noc(C3(C4CCCCC4)CCCCC3)n2)CN1C1CC1 ZINC000329576265 1094980563 /nfs/dbraw/zinc/98/05/63/1094980563.db2.gz KABGFBAZDMKZFO-OAHLLOKOSA-N 0 0 357.498 4.330 10 0 FIAERN C[C@H]1CCCC[C@H]1OCc1noc(-c2ccc(OC3CCOCC3)cc2)n1 ZINC000329592610 1094987988 /nfs/dbraw/zinc/98/79/88/1094987988.db2.gz BZYASDCFYHCOKV-HNAYVOBHSA-N 0 0 372.465 4.390 10 0 FIAERN Cc1cc2cn[nH]c2c(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 ZINC000329612848 1095003197 /nfs/dbraw/zinc/00/31/97/1095003197.db2.gz DTRASBMXZZUTCV-AWEZNQCLSA-N 0 0 368.506 4.471 10 0 FIAERN COc1ccc(-c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)cc1N1CCNC1=O ZINC000329686746 1095124891 /nfs/dbraw/zinc/12/48/91/1095124891.db2.gz FTOQZCWBTQTTAE-STQMWFEESA-N 0 0 370.453 4.019 10 0 FIAERN CC(C)[C@@H]1C[C@@H](Cc2nc(-c3cccnc3OC3CCCC3)no2)CCO1 ZINC000329701825 1095176259 /nfs/dbraw/zinc/17/62/59/1095176259.db2.gz HONLTZBJMJQDGN-YJBOKZPZSA-N 0 0 371.481 4.447 10 0 FIAERN C[C@H]1C[C@H](c2noc(-c3c[nH]c(=O)c(Br)c3)n2)C[C@@H](C)C1 ZINC000329728243 1095223012 /nfs/dbraw/zinc/22/30/12/1095223012.db2.gz OZHNRJDDIYAMGX-MYJAWHEDSA-N 0 0 352.232 4.139 10 0 FIAERN CC(C)c1nc([C@H]2CCCN2C(=O)[C@H]2CCSc3ccccc32)no1 ZINC000329756761 1095252180 /nfs/dbraw/zinc/25/21/80/1095252180.db2.gz YUYHJVXELSKCQP-LSDHHAIUSA-N 0 0 357.479 4.136 10 0 FIAERN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000329772371 1095259880 /nfs/dbraw/zinc/25/98/80/1095259880.db2.gz KODVOPZBUUSMTL-AWEZNQCLSA-N 0 0 357.385 4.364 10 0 FIAERN O=C1N[C@@H](c2cccs2)C(=O)N1[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330341479 1095547529 /nfs/dbraw/zinc/54/75/29/1095547529.db2.gz ZHJHQOUJHUXIIX-PBHICJAKSA-N 0 0 368.458 4.382 10 0 FIAERN Cc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1Cl ZINC000073344728 1099352800 /nfs/dbraw/zinc/35/28/00/1099352800.db2.gz SMPVUUYTUWSIDC-UHFFFAOYSA-N 0 0 362.882 4.201 10 0 FIAERN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246659691 1099371134 /nfs/dbraw/zinc/37/11/34/1099371134.db2.gz LORUCRLRSSEMLQ-MEWXFMAXSA-N 0 0 354.277 4.124 10 0 FIAERN C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@H]3c3cccs3)cc2)CCO1 ZINC000246729448 1099373205 /nfs/dbraw/zinc/37/32/05/1099373205.db2.gz MSKJVKQDNWQRFX-YJBOKZPZSA-N 0 0 371.506 4.342 10 0 FIAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000152008046 1099375322 /nfs/dbraw/zinc/37/53/22/1099375322.db2.gz CXECUSPXQOEVQG-ICSRJNTNSA-N 0 0 354.498 4.189 10 0 FIAERN O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246755065 1099375847 /nfs/dbraw/zinc/37/58/47/1099375847.db2.gz VTCFHQLJVKOUSI-GFOCRRMGSA-N 0 0 359.853 4.151 10 0 FIAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(N2CCOC2=O)c1 ZINC000247534388 1099391453 /nfs/dbraw/zinc/39/14/53/1099391453.db2.gz XNKDZZUNUCBPRR-QINHECLXSA-N 0 0 364.445 4.050 10 0 FIAERN C[C@@H]1CN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)[C@@H]2CCCC[C@H]21 ZINC000248404635 1099400706 /nfs/dbraw/zinc/40/07/06/1099400706.db2.gz AGFUQBMPUOPNMT-XOKHGSTOSA-N 0 0 373.884 4.360 10 0 FIAERN 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FIAERN COc1ccc(-c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000040249796 205063772 /nfs/dbraw/zinc/06/37/72/205063772.db2.gz XTEOLYHEWJCFJX-UHFFFAOYSA-N 0 0 371.440 4.375 10 0 FIAERN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1)N1CCCCC1 ZINC000040250507 205064580 /nfs/dbraw/zinc/06/45/80/205064580.db2.gz YEUBZDFMPJIJDR-UHFFFAOYSA-N 0 0 353.853 4.369 10 0 FIAERN CCc1ccc(OCc2nc3ccccc3n2CC(=O)OC(C)C)cc1 ZINC000040235320 205064583 /nfs/dbraw/zinc/06/45/83/205064583.db2.gz LFPVKZWNHKPRNG-UHFFFAOYSA-N 0 0 352.434 4.129 10 0 FIAERN CC(C)C(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000040274696 205065314 /nfs/dbraw/zinc/06/53/14/205065314.db2.gz QPRLZMXRFOTZIP-UHFFFAOYSA-N 0 0 359.832 4.149 10 0 FIAERN O=C(Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl)NC1CC1 ZINC000040307422 205066852 /nfs/dbraw/zinc/06/68/52/205066852.db2.gz KRELEJZQOJTWKB-UHFFFAOYSA-N 0 0 360.244 4.289 10 0 FIAERN O=C(Nc1nc2ccccc2s1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040311955 205067028 /nfs/dbraw/zinc/06/70/28/205067028.db2.gz FRYSSNNIWMRTAT-UHFFFAOYSA-N 0 0 362.336 4.444 10 0 FIAERN OCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040400919 205069398 /nfs/dbraw/zinc/06/93/98/205069398.db2.gz WFFYUIDUXDLNCL-UHFFFAOYSA-N 0 0 354.759 4.292 10 0 FIAERN Nc1cc2c(cncc2Oc2ccc(I)cc2)s1 ZINC000040425019 205070649 /nfs/dbraw/zinc/07/06/49/205070649.db2.gz MWZJHNYKHQGLSE-UHFFFAOYSA-N 0 0 368.199 4.275 10 0 FIAERN Nc1c(Nc2cccnc2Cl)ncnc1Nc1cccc2cccnc21 ZINC000040758515 205079799 /nfs/dbraw/zinc/07/97/99/205079799.db2.gz HJDLEQLUBCDAMR-UHFFFAOYSA-N 0 0 363.812 4.143 10 0 FIAERN Cc1ccc(CNc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755729 205079940 /nfs/dbraw/zinc/07/99/40/205079940.db2.gz LNHBBDLLDLTQGW-UHFFFAOYSA-N 0 0 363.509 4.360 10 0 FIAERN COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3Cl)c2N)c1 ZINC000040754168 205080758 /nfs/dbraw/zinc/08/07/58/205080758.db2.gz VBOVJNBKSOMUTI-UHFFFAOYSA-N 0 0 371.828 4.217 10 0 FIAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Oc1cccc2cccnc21 ZINC000040752129 205080764 /nfs/dbraw/zinc/08/07/64/205080764.db2.gz BGVIFUZQSDTCQL-UHFFFAOYSA-N 0 0 364.796 4.191 10 0 FIAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Nc1cccc2ncccc21 ZINC000040796986 205081048 /nfs/dbraw/zinc/08/10/48/205081048.db2.gz WIMDSFSZWHTKIK-UHFFFAOYSA-N 0 0 364.359 4.372 10 0 FIAERN CCOc1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2N)cc1 ZINC000040782654 205081188 /nfs/dbraw/zinc/08/11/88/205081188.db2.gz QQLFDAHSHCXYIX-UHFFFAOYSA-N 0 0 363.421 4.147 10 0 FIAERN CCOc1ccccc1Nc1ncnc(Nc2ccc(C(C)=O)cc2)c1N ZINC000040782839 205081240 /nfs/dbraw/zinc/08/12/40/205081240.db2.gz NGYQXAZDWKMCES-UHFFFAOYSA-N 0 0 363.421 4.147 10 0 FIAERN Cc1ccc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)nc1 ZINC000040798937 205081307 /nfs/dbraw/zinc/08/13/07/205081307.db2.gz FFMDQERTNFIBPV-UHFFFAOYSA-N 0 0 357.421 4.106 10 0 FIAERN Nc1c(Oc2ccccc2)ncnc1Oc1ccc(Br)cc1 ZINC000040796182 205081669 /nfs/dbraw/zinc/08/16/69/205081669.db2.gz FMFUHJLPLSLXJO-UHFFFAOYSA-N 0 0 358.195 4.406 10 0 FIAERN COc1ccc(Oc2ncnc(Nc3cccc4ncccc43)c2N)cc1 ZINC000040797066 205082047 /nfs/dbraw/zinc/08/20/47/205082047.db2.gz YHNGVMAOCDEBMR-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/08/79/12/205087912.db2.gz PEDMAHPALHMECU-UHFFFAOYSA-N 0 0 357.207 4.258 10 0 FIAERN CCCSc1nnc(NC(=O)CCc2ccc(OCC)cc2)s1 ZINC000041019397 205087941 /nfs/dbraw/zinc/08/79/41/205087941.db2.gz ATOPPMPAAMSVGB-UHFFFAOYSA-N 0 0 351.497 4.010 10 0 FIAERN COc1cc(C(=O)N[C@@H](c2cccs2)C(C)(C)C)cc(OC)c1OC ZINC000041575718 205090920 /nfs/dbraw/zinc/09/09/20/205090920.db2.gz GBCLWCDVWPTXPI-KRWDZBQOSA-N 0 0 363.479 4.291 10 0 FIAERN Nc1ccc2c(c1)CN(c1cc(Br)ccc1Br)C2 ZINC000042582030 205097613 /nfs/dbraw/zinc/09/76/13/205097613.db2.gz TWZAJYRULWEPHC-UHFFFAOYSA-N 0 0 368.072 4.314 10 0 FIAERN CCN(CC)c1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682411 205075518 /nfs/dbraw/zinc/07/55/18/205075518.db2.gz OXDBIRXEOUJBNY-UHFFFAOYSA-N 0 0 359.783 4.321 10 0 FIAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccc3c(c2)OCO3)c1N ZINC000040684615 205076095 /nfs/dbraw/zinc/07/60/95/205076095.db2.gz KZJKSYVTDVUMRT-UHFFFAOYSA-N 0 0 369.812 4.237 10 0 FIAERN Cc1cccc(Nc2ncnc(Nc3nc4c(cccc4C)s3)c2N)n1 ZINC000040685605 205076204 /nfs/dbraw/zinc/07/62/04/205076204.db2.gz XFUGMTAJXKHXCG-UHFFFAOYSA-N 0 0 363.450 4.168 10 0 FIAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccccc1C(F)(F)F ZINC000040701707 205076865 /nfs/dbraw/zinc/07/68/65/205076865.db2.gz ZQOCVGNEICVMJT-UHFFFAOYSA-N 0 0 359.355 4.433 10 0 FIAERN CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000044137859 205106904 /nfs/dbraw/zinc/10/69/04/205106904.db2.gz WOAAXVHYLTULBP-AYHJJNSGSA-N 0 0 374.481 4.091 10 0 FIAERN C[C@@H](Oc1cccc(I)c1)C(=O)c1ccc(F)cc1 ZINC000048403409 205162923 /nfs/dbraw/zinc/16/29/23/205162923.db2.gz NPNIIEOOUFJTEX-SNVBAGLBSA-N 0 0 370.161 4.081 10 0 FIAERN CCc1ccc2oc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)c(C)c2c1 ZINC000054644801 205201993 /nfs/dbraw/zinc/20/19/93/205201993.db2.gz DPGJOJPEUNTBGO-UHFFFAOYSA-N 0 0 368.458 4.205 10 0 FIAERN Cc1ccc(Sc2nn(C)c(N)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000053994218 205196700 /nfs/dbraw/zinc/19/67/00/205196700.db2.gz UDLJUTPTMNTKPE-UHFFFAOYSA-N 0 0 352.463 4.023 10 0 FIAERN Nc1c(Br)cccc1-c1nc2cc(Br)ccc2[nH]1 ZINC000062826635 205293072 /nfs/dbraw/zinc/29/30/72/205293072.db2.gz BVPFOODQSPJIPT-UHFFFAOYSA-N 0 0 367.044 4.337 10 0 FIAERN O=C(c1ccc(F)cc1)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000064678000 205303586 /nfs/dbraw/zinc/30/35/86/205303586.db2.gz PHQBNYQTSOVAGF-UHFFFAOYSA-N 0 0 359.416 4.424 10 0 FIAERN CCN1C(=S)N=NC1COc1ccc(C(C)C)cc1Br ZINC000064872268 205308330 /nfs/dbraw/zinc/30/83/30/205308330.db2.gz FVVGYFFVQHDAGX-UHFFFAOYSA-N 0 0 356.289 4.052 10 0 FIAERN Brc1ccc(-c2ccnc3nc(-c4ccccc4)nn32)cc1 ZINC000072451411 205554380 /nfs/dbraw/zinc/55/43/80/205554380.db2.gz QCAXBMMFNDUSEU-UHFFFAOYSA-N 0 0 351.207 4.221 10 0 FIAERN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccc(C(C)C)cc2)no1 ZINC000075550900 205578129 /nfs/dbraw/zinc/57/81/29/205578129.db2.gz APTXXQPOJUNWDS-UHFFFAOYSA-N 0 0 350.422 4.433 10 0 FIAERN CC(C)c1cccc(C(=O)Cc2ccnc(C(=O)OC(C)(C)C)c2N)c1 ZINC000095934818 205795620 /nfs/dbraw/zinc/79/56/20/205795620.db2.gz RIIQGHNGYKTBDH-UHFFFAOYSA-N 0 0 354.450 4.168 10 0 FIAERN COc1ccc(/N=c2/sc(C)c(-c3ccc(C)cc3)n2CCO)cc1 ZINC000102632424 205978256 /nfs/dbraw/zinc/97/82/56/205978256.db2.gz IXWHKKSJCSCEHB-QZQOTICOSA-N 0 0 354.475 4.067 10 0 FIAERN CCCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1OCC ZINC000105837595 206009639 /nfs/dbraw/zinc/00/96/39/206009639.db2.gz SCVSBCQNMMKMLJ-UHFFFAOYSA-N 0 0 370.449 4.475 10 0 FIAERN CC(=O)Nc1cc(-c2sc([C@H](C)O)nc2-c2cccc(C)c2)ccn1 ZINC000149608441 206141719 /nfs/dbraw/zinc/14/17/19/206141719.db2.gz BMMQZBHRJIURBF-LBPRGKRZSA-N 0 0 353.447 4.192 10 0 FIAERN COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1 ZINC000014664579 206313029 /nfs/dbraw/zinc/31/30/29/206313029.db2.gz BRURZQDAVZLHSH-UHFFFAOYSA-N 0 0 368.614 4.141 10 0 FIAERN CC[C@H](NC(=O)c1ccc(Cl)nc1)c1ccc(Br)cc1 ZINC000015740419 206315468 /nfs/dbraw/zinc/31/54/68/206315468.db2.gz KWQVBDAGNNUZQC-ZDUSSCGKSA-N 0 0 353.647 4.379 10 0 FIAERN CC(C)CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1Br ZINC000015368832 206316446 /nfs/dbraw/zinc/31/64/46/206316446.db2.gz RCMSIIVYFKEYOQ-GFCCVEGCSA-N 0 0 350.256 4.142 10 0 FIAERN O=C(CNc1c(Cl)cc(Br)cc1Cl)N1CCCCC1 ZINC000057348279 206384369 /nfs/dbraw/zinc/38/43/69/206384369.db2.gz GAPVFSRXMAKXRE-UHFFFAOYSA-N 0 0 366.086 4.180 10 0 FIAERN Cc1ccccc1[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)n1cccc1 ZINC000020998660 132899723 /nfs/dbraw/zinc/89/97/23/132899723.db2.gz AHCOHZWFCGSXED-HSZRJFAPSA-N 0 0 373.500 4.125 10 0 FIAERN O=C1N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)C1(F)F ZINC000040539837 527039060 /nfs/dbraw/zinc/03/90/60/527039060.db2.gz QZNCFYUYRHAFET-CQSZACIVSA-N 0 0 352.178 4.168 10 0 FIAERN CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000186162136 567889148 /nfs/dbraw/zinc/88/91/48/567889148.db2.gz ZPIMTXFBKTWVAC-OAHLLOKOSA-N 0 0 372.538 4.209 10 0 FIAERN CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000159188294 567911056 /nfs/dbraw/zinc/91/10/56/567911056.db2.gz WONOCAOJNDROAE-FOIQADDNSA-N 0 0 353.510 4.457 10 0 FIAERN CC(C)CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1 ZINC000186739316 567978184 /nfs/dbraw/zinc/97/81/84/567978184.db2.gz BQQLORPBCFPPLH-ILZDJORESA-N 0 0 362.514 4.023 10 0 FIAERN CCC1(CC)CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000188610571 567988445 /nfs/dbraw/zinc/98/84/45/567988445.db2.gz YCNRVUFGDMEJBE-QUCCMNQESA-N 0 0 356.510 4.025 10 0 FIAERN O=C(CSc1nccc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000162525974 568027867 /nfs/dbraw/zinc/02/78/67/568027867.db2.gz CESGDUKYICATLU-HNNXBMFYSA-N 0 0 369.515 4.190 10 0 FIAERN Cc1nnc([C@H](N[C@H](C)c2ccccc2OC(F)F)c2ccccc2)[nH]1 ZINC000162531351 568028232 /nfs/dbraw/zinc/02/82/32/568028232.db2.gz XLSKTPDUCZIISY-SJKOYZFVSA-N 0 0 358.392 4.155 10 0 FIAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cnn(-c3ccccn3)c2C)o1 ZINC000128599102 568065376 /nfs/dbraw/zinc/06/53/76/568065376.db2.gz PKPIOSRCENHARZ-SFHVURJKSA-N 0 0 364.449 4.099 10 0 FIAERN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121646642 568108517 /nfs/dbraw/zinc/10/85/17/568108517.db2.gz FXRNOMAPMDTPAE-VBKZILBWSA-N 0 0 374.868 4.071 10 0 FIAERN O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121687743 568108791 /nfs/dbraw/zinc/10/87/91/568108791.db2.gz BOZMXILUFSXDTH-BLLLJJGKSA-N 0 0 360.351 4.003 10 0 FIAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1ccccc1Cl ZINC000330312685 568233858 /nfs/dbraw/zinc/23/38/58/568233858.db2.gz OJTFRCSNKIPYLW-HIFRSBDPSA-N 0 0 358.873 4.059 10 0 FIAERN CC1(C)C[C@@H](NC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc2O1 ZINC000408292940 568348291 /nfs/dbraw/zinc/34/82/91/568348291.db2.gz VYPNYTNZVCIWPH-UYAOXDASSA-N 0 0 366.461 4.072 10 0 FIAERN Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000005241322 568383134 /nfs/dbraw/zinc/38/31/34/568383134.db2.gz PALBXTCKVUTRLH-UHFFFAOYSA-N 0 0 362.882 4.201 10 0 FIAERN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000012373070 568529027 /nfs/dbraw/zinc/52/90/27/568529027.db2.gz MLYFECLJKVZVNS-IBGZPJMESA-N 0 0 370.452 4.069 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nncn3C)c2)cc1 ZINC000128803940 568543639 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CCOC(=O)Cn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249674 205064082 /nfs/dbraw/zinc/06/40/82/205064082.db2.gz HOHFUFQWXQOICG-UHFFFAOYSA-N 0 0 359.223 4.029 10 0 FIAERN CC(C)C(=O)NCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000040274775 205065452 /nfs/dbraw/zinc/06/54/52/205065452.db2.gz VYJQQKJFMAFGTN-UHFFFAOYSA-N 0 0 371.868 4.041 10 0 FIAERN CCC(=O)NCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000040274642 205065756 /nfs/dbraw/zinc/06/57/56/205065756.db2.gz ILXNXQHSKPWGTN-UHFFFAOYSA-N 0 0 365.477 4.230 10 0 FIAERN Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)ns2)cc1 ZINC000040323586 205066817 /nfs/dbraw/zinc/06/68/17/205066817.db2.gz LSXQKJMOOUXASD-UHFFFAOYSA-N 0 0 361.373 4.367 10 0 FIAERN COCCn1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040404447 205068813 /nfs/dbraw/zinc/06/88/13/205068813.db2.gz JJUUXCIVQHMDRT-UHFFFAOYSA-N 0 0 350.340 4.281 10 0 FIAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1N1CCCCCC1 ZINC000040725668 205079158 /nfs/dbraw/zinc/07/91/58/205079158.db2.gz UNGHLCMWRRMFIO-UHFFFAOYSA-N 0 0 351.376 4.202 10 0 FIAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCCCC1 ZINC000040725485 205079459 /nfs/dbraw/zinc/07/94/59/205079459.db2.gz TUTHEMZWECVSRR-UHFFFAOYSA-N 0 0 352.269 4.490 10 0 FIAERN COc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040752308 205079593 /nfs/dbraw/zinc/07/95/93/205079593.db2.gz WQBMPUBIZLLTHR-UHFFFAOYSA-N 0 0 373.416 4.460 10 0 FIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc21 ZINC000040752218 205079692 /nfs/dbraw/zinc/07/96/92/205079692.db2.gz ZYSOHOCIEIRJPV-UHFFFAOYSA-N 0 0 365.343 4.421 10 0 FIAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Oc1cccc2cccnc21 ZINC000040752216 205080662 /nfs/dbraw/zinc/08/06/62/205080662.db2.gz WLAHFIAQLDSLDH-UHFFFAOYSA-N 0 0 365.343 4.421 10 0 FIAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779521 205081446 /nfs/dbraw/zinc/08/14/46/205081446.db2.gz UMNHJLPQCBOEID-UHFFFAOYSA-N 0 0 365.199 4.387 10 0 FIAERN Nc1c(Nc2cccnc2Cl)ncnc1Nc1cccc2ncccc21 ZINC000040797057 205082275 /nfs/dbraw/zinc/08/22/75/205082275.db2.gz IYXIKFANHNIRMF-UHFFFAOYSA-N 0 0 363.812 4.143 10 0 FIAERN COc1cccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)c1 ZINC000040946145 205085138 /nfs/dbraw/zinc/08/51/38/205085138.db2.gz SYBUTOPCAXVLCM-GFCCVEGCSA-N 0 0 364.239 4.172 10 0 FIAERN COc1ccc2oc(=O)c(C(=O)Oc3cc(C)c(Cl)c(C)c3)cc2c1 ZINC000040949506 205085170 /nfs/dbraw/zinc/08/51/70/205085170.db2.gz HBONBOACGBKBHL-UHFFFAOYSA-N 0 0 358.777 4.291 10 0 FIAERN CCCC(=O)N(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040966345 205086503 /nfs/dbraw/zinc/08/65/03/205086503.db2.gz RAXWUXCGTPGIKN-UHFFFAOYSA-N 0 0 365.882 4.479 10 0 FIAERN CCc1c(C(=O)OC)sc2nc(-c3ccc(Br)cc3)cn21 ZINC000041005705 205087196 /nfs/dbraw/zinc/08/71/96/205087196.db2.gz NIDZQFPRFAMHGO-UHFFFAOYSA-N 0 0 365.252 4.174 10 0 FIAERN CCc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(=O)OC)cc1 ZINC000041013408 205087201 /nfs/dbraw/zinc/08/72/01/205087201.db2.gz HABNBLNTLJLJHG-UHFFFAOYSA-N 0 0 366.442 4.411 10 0 FIAERN COc1ccc(/C=C/C(=O)Nc2ccnc3c(F)cccc23)cc1OC ZINC000041058105 205087483 /nfs/dbraw/zinc/08/74/83/205087483.db2.gz BMUTYCIOUKWMJN-VQHVLOKHSA-N 0 0 352.365 4.043 10 0 FIAERN CCOc1ccccc1-c1csc(NC(=O)c2cc(C)cc(C)n2)n1 ZINC000041005582 205087629 /nfs/dbraw/zinc/08/76/29/205087629.db2.gz SNANKWQAMWTXCL-UHFFFAOYSA-N 0 0 353.447 4.473 10 0 FIAERN CC(C)(C)[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccs1 ZINC000041575685 205091497 /nfs/dbraw/zinc/09/14/97/205091497.db2.gz YPRKGQWMFUULAQ-GOSISDBHSA-N 0 0 356.491 4.392 10 0 FIAERN CN([C@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000042746445 205097823 /nfs/dbraw/zinc/09/78/23/205097823.db2.gz HBKGEROWZZCSMZ-LJQANCHMSA-N 0 0 372.877 4.145 10 0 FIAERN COc1cccc(Nc2ncnc(Nc3nc4ccccc4s3)c2N)c1 ZINC000040688026 205075304 /nfs/dbraw/zinc/07/53/04/205075304.db2.gz CPKPEKKNCGMODZ-UHFFFAOYSA-N 0 0 364.434 4.164 10 0 FIAERN Cc1ccc2nc(Nc3ncnc(Nc4cccc(C)n4)c3N)sc2c1 ZINC000040685608 205075476 /nfs/dbraw/zinc/07/54/76/205075476.db2.gz BSHUQCHYGKFSOR-UHFFFAOYSA-N 0 0 363.450 4.168 10 0 FIAERN Cc1cccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)n1 ZINC000040685844 205075707 /nfs/dbraw/zinc/07/57/07/205075707.db2.gz HTNLJRALOKOLRJ-UHFFFAOYSA-N 0 0 372.226 4.061 10 0 FIAERN COc1ccc(OC)c(Nc2ncnc(Nc3cc(C)cc(C)c3)c2N)c1 ZINC000040681897 205075928 /nfs/dbraw/zinc/07/59/28/205075928.db2.gz PPANGSPLGNUQON-UHFFFAOYSA-N 0 0 365.437 4.180 10 0 FIAERN COc1ccc(C)cc1Nc1ncnc(N(CC(C)C)CC(C)C)c1N ZINC000040684224 205076233 /nfs/dbraw/zinc/07/62/33/205076233.db2.gz LUXYSIOYZVMYHS-UHFFFAOYSA-N 0 0 357.502 4.238 10 0 FIAERN Cc1cc(Oc2ncnc(Nc3ccc4c(c3)OCO4)c2N)ccc1Cl ZINC000040685057 205076332 /nfs/dbraw/zinc/07/63/32/205076332.db2.gz TVNDMHVSQZZFGE-UHFFFAOYSA-N 0 0 370.796 4.285 10 0 FIAERN C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccc2ccccc2c1 ZINC000044848154 205111237 /nfs/dbraw/zinc/11/12/37/205111237.db2.gz NKWNEXFZSRFCSR-CYBMUJFWSA-N 0 0 362.458 4.188 10 0 FIAERN CC1(C)CO[C@@](C)(CCCc2ccc(Cl)cc2)N1C(=O)n1ccnc1 ZINC000043065253 205099853 /nfs/dbraw/zinc/09/98/53/205099853.db2.gz FJBGIXKIXPUXBY-IBGZPJMESA-N 0 0 361.873 4.355 10 0 in-vitro FIAERN CSc1nnc(SCc2ccc(Br)cc2F)s1 ZINC000047821312 205149840 /nfs/dbraw/zinc/14/98/40/205149840.db2.gz FLFBBWRMAQSLLB-UHFFFAOYSA-N 0 0 351.291 4.454 10 0 FIAERN CNc1cc(COc2c(Br)cccc2Br)ccn1 ZINC000052754999 205186863 /nfs/dbraw/zinc/18/68/63/205186863.db2.gz XWADRMRKXFJWPT-UHFFFAOYSA-N 0 0 372.060 4.227 10 0 FIAERN CC(C)[C@@H](C)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000055110020 205208627 /nfs/dbraw/zinc/20/86/27/205208627.db2.gz AUUCQBCGLNAJNG-OAHLLOKOSA-N 0 0 364.445 4.388 10 0 FIAERN CC(=O)c1ccc(-n2nc(C)c(Br)c2C)c(Br)c1 ZINC000061694533 205286845 /nfs/dbraw/zinc/28/68/45/205286845.db2.gz IOCUDXKDDMAJNR-UHFFFAOYSA-N 0 0 372.060 4.217 10 0 FIAERN Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000058449577 205275372 /nfs/dbraw/zinc/27/53/72/205275372.db2.gz PELAGLVSOYWOID-CQSZACIVSA-N 0 0 353.466 4.274 10 0 FIAERN COc1ccccc1CNC(=O)c1nc2ccccn2c1-c1ccsc1 ZINC000065232154 205326497 /nfs/dbraw/zinc/32/64/97/205326497.db2.gz AVHOSPYJBVNELT-UHFFFAOYSA-N 0 0 363.442 4.001 10 0 FIAERN Cc1ccccc1NC(=O)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272875 205332796 /nfs/dbraw/zinc/33/27/96/205332796.db2.gz YTYPIYSWVPLRRQ-HNNXBMFYSA-N 0 0 368.502 4.036 10 0 FIAERN O=C(Cc1cccs1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135232 205319099 /nfs/dbraw/zinc/31/90/99/205319099.db2.gz XSYSAJKIDNBUHH-KRWDZBQOSA-N 0 0 363.486 4.154 10 0 FIAERN COc1cccc(-c2ccnc3nc(Nc4cccc(C)c4)[nH]c(=O)c32)c1 ZINC000072440921 205550510 /nfs/dbraw/zinc/55/05/10/205550510.db2.gz BJPZNCBZROTRFW-UHFFFAOYSA-N 0 0 358.401 4.046 10 0 FIAERN CC(C)(C)OC(=O)N1CCC(CCOCc2ccc(Cl)nc2)CC1 ZINC000095083788 205721137 /nfs/dbraw/zinc/72/11/37/205721137.db2.gz XPQHRMZWPNOEIL-UHFFFAOYSA-N 0 0 354.878 4.289 10 0 FIAERN O=C(N[C@H]1CCc2ccccc21)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000105743779 206009466 /nfs/dbraw/zinc/00/94/66/206009466.db2.gz DOOZOBGFCSOIJX-NRFANRHFSA-N 0 0 359.400 4.474 10 0 FIAERN CCc1c(C(=O)N2CCC[C@H]3CCCC[C@H]32)cnn1-c1ccc(F)cc1 ZINC000105924701 206012174 /nfs/dbraw/zinc/01/21/74/206012174.db2.gz UJOGGIJZKSGUFU-FOIQADDNSA-N 0 0 355.457 4.369 10 0 FIAERN O=C(CCc1ccc(F)c(F)c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000105982079 206012271 /nfs/dbraw/zinc/01/22/71/206012271.db2.gz PEQIWBIHODYSER-UHFFFAOYSA-N 0 0 370.355 4.381 10 0 FIAERN Cc1noc(Cl)c1CCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000109363861 206053940 /nfs/dbraw/zinc/05/39/40/206053940.db2.gz NDNOBLDECNQTMX-SECBINFHSA-N 0 0 371.662 4.209 10 0 FIAERN CCOC(=O)c1cc(CC)sc1NC(=O)COc1cccc(C)c1C ZINC000001944318 206228112 /nfs/dbraw/zinc/22/81/12/206228112.db2.gz BQOJRZOUSJGFAM-UHFFFAOYSA-N 0 0 361.463 4.122 10 0 FIAERN C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000007305272 206245480 /nfs/dbraw/zinc/24/54/80/206245480.db2.gz HQFUTJFIYQJETL-JTQLQIEISA-N 0 0 374.687 4.142 10 0 FIAERN O=C(Cn1c(Cl)nc2ccccc21)Nc1ccc(Br)cc1 ZINC000007453621 206230716 /nfs/dbraw/zinc/23/07/16/206230716.db2.gz DUZMQFUXZVVGGZ-UHFFFAOYSA-N 0 0 364.630 4.091 10 0 FIAERN O=C(Cn1c(Cl)nc2ccccc21)Nc1cccc(Br)c1 ZINC000007453476 206230971 /nfs/dbraw/zinc/23/09/71/206230971.db2.gz IKIHJUXEMSHPSQ-UHFFFAOYSA-N 0 0 364.630 4.091 10 0 FIAERN O[C@H](c1cccc(I)c1)c1ccc2c(c1)CCCC2 ZINC000104049903 206236794 /nfs/dbraw/zinc/23/67/94/206236794.db2.gz HBJBALTUMDEGJL-QGZVFWFLSA-N 0 0 364.226 4.252 10 0 FIAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)C(=O)N1CCCC1 ZINC000057348243 206383766 /nfs/dbraw/zinc/38/37/66/206383766.db2.gz VRILBYVYEZNCDG-QMMMGPOBSA-N 0 0 366.086 4.179 10 0 FIAERN O=C(COc1ccc(Br)cc1)c1ccccc1Br ZINC000048102092 220999624 /nfs/dbraw/zinc/99/96/24/220999624.db2.gz HSJWBUZPGFUGGD-UHFFFAOYSA-N 0 0 370.040 4.473 10 0 FIAERN Nc1c(Nc2ccc(Cl)c(C(F)(F)F)c2)ncnc1N1CCCCC1 ZINC000040724890 136120145 /nfs/dbraw/zinc/12/01/45/136120145.db2.gz RVFQLSFVTFRZLS-UHFFFAOYSA-N 0 0 371.794 4.465 10 0 FIAERN Cc1ccc(N2CN(C3CCCCC3)Cn3c(=O)c(C)c(C)nc32)cc1C ZINC000072442882 136147839 /nfs/dbraw/zinc/14/78/39/136147839.db2.gz JWRPSFMDUCUISF-UHFFFAOYSA-N 0 0 366.509 4.178 10 0 FIAERN CCCCCN1CN(c2ccc(C)cc2C)c2nc(C)c(C)c(=O)n2C1 ZINC000072443069 136148021 /nfs/dbraw/zinc/14/80/21/136148021.db2.gz JNTIHNXIOPUMBB-UHFFFAOYSA-N 0 0 354.498 4.036 10 0 FIAERN C[C@H](Nc1cccc(-c2nncn2C)c1)c1ccc(Br)s1 ZINC000038003121 518183593 /nfs/dbraw/zinc/18/35/93/518183593.db2.gz WEQMOFGBBPYRIS-JTQLQIEISA-N 0 0 363.284 4.479 10 0 FIAERN CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000091353115 518798726 /nfs/dbraw/zinc/79/87/26/518798726.db2.gz PHHVZNPQMJAGKY-UHFFFAOYSA-N 0 0 352.478 4.308 10 0 FIAERN CSc1nnc(SCCOc2cccc(Br)c2)s1 ZINC000079403632 526229819 /nfs/dbraw/zinc/22/98/19/526229819.db2.gz IPRFCVVXGDORLI-UHFFFAOYSA-N 0 0 363.327 4.194 10 0 FIAERN O[C@@](/C=C\c1ccc(Cl)cc1Cl)(Cn1ccnc1)c1cccnc1 ZINC000091365814 527680738 /nfs/dbraw/zinc/68/07/38/527680738.db2.gz YHAHQXULDGXJHH-XFHJGTJQSA-N 0 0 360.244 4.186 10 0 FIAERN Cc1ccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)cc1-c1ncco1 ZINC000161610156 567958446 /nfs/dbraw/zinc/95/84/46/567958446.db2.gz AOIOYVDCRUUMKO-RTBURBONSA-N 0 0 363.417 4.302 10 0 FIAERN COc1cc([C@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)ccc1F ZINC000188583412 567965685 /nfs/dbraw/zinc/96/56/85/567965685.db2.gz MSGGRXIKAHSBNZ-AWEZNQCLSA-N 0 0 366.440 4.136 10 0 FIAERN c1ccc(C[C@@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C2CC2)cc1 ZINC000188593179 567975563 /nfs/dbraw/zinc/97/55/63/567975563.db2.gz JFJMGPSKLCWALG-OAQYLSRUSA-N 0 0 358.489 4.248 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000162655386 568001791 /nfs/dbraw/zinc/00/17/91/568001791.db2.gz XPKONQKSEZBLPL-YADHBBJMSA-N 0 0 373.500 4.158 10 0 FIAERN C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000186979836 568034318 /nfs/dbraw/zinc/03/43/18/568034318.db2.gz KIJIVYCRYJOZOG-LBPRGKRZSA-N 0 0 362.376 4.452 10 0 FIAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(OC(F)F)cc2)c2ccccc2)[nH]1 ZINC000162611285 568048128 /nfs/dbraw/zinc/04/81/28/568048128.db2.gz RRTYSLHMJKFAPJ-PXAZEXFGSA-N 0 0 358.392 4.155 10 0 FIAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000021052361 568072094 /nfs/dbraw/zinc/07/20/94/568072094.db2.gz RFHNNTTWSKXZBN-LLVKDONJSA-N 0 0 354.269 4.026 10 0 FIAERN O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121687603 568108762 /nfs/dbraw/zinc/10/87/62/568108762.db2.gz BOZMXILUFSXDTH-WBMJQRKESA-N 0 0 360.351 4.003 10 0 FIAERN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)cc2c1 ZINC000408261378 568218250 /nfs/dbraw/zinc/21/82/50/568218250.db2.gz OFEWTCABSGHVFI-GZIQRIHMSA-N 0 0 366.505 4.253 10 0 FIAERN COC(=O)N([C@H](CO)Cc1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000094568749 570451035 /nfs/dbraw/zinc/45/10/35/570451035.db2.gz HOUMYQDWTJCSDJ-SFHVURJKSA-N 0 0 373.452 4.428 10 0 FIAERN COc1cc(OC)cc(-c2onc(C)c2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000023306366 570480425 /nfs/dbraw/zinc/48/04/25/570480425.db2.gz FUTBYSVPPKUYIE-ZDUSSCGKSA-N 0 0 366.417 4.158 10 0 FIAERN Nc1cc(Cl)ccc1OCc1cc(=O)c(OCc2ccccc2)co1 ZINC000001663550 570504013 /nfs/dbraw/zinc/50/40/13/570504013.db2.gz OXNGGLGPLXIOSW-UHFFFAOYSA-N 0 0 357.793 4.033 10 0 FIAERN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)Nc1ccccc1Cl ZINC000102301650 570829735 /nfs/dbraw/zinc/82/97/35/570829735.db2.gz QAEXJUGRQWICIO-ZDUSSCGKSA-N 0 0 367.836 4.198 10 0 FIAERN O=C(CN1c2ccccc2N=C2CCC[C@H]2C1=O)Nc1ccccc1Cl ZINC000102301654 570829742 /nfs/dbraw/zinc/82/97/42/570829742.db2.gz QAEXJUGRQWICIO-CYBMUJFWSA-N 0 0 367.836 4.198 10 0 FIAERN COC(=O)CCCCc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000016739581 570860952 /nfs/dbraw/zinc/86/09/52/570860952.db2.gz ZZGDGAWCSXAYOI-UHFFFAOYSA-N 0 0 368.458 4.434 10 0 FIAERN CNc1ncc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1C(F)(F)F ZINC000584881118 570987928 /nfs/dbraw/zinc/98/79/28/570987928.db2.gz OCCULWHIULFQLS-UHFFFAOYSA-N 0 0 357.376 4.166 10 0 FIAERN CC(C)n1c2cnccc2nc1[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000096125213 571036546 /nfs/dbraw/zinc/03/65/46/571036546.db2.gz JPGPMVPHEOIWEA-QGZVFWFLSA-N 0 0 354.498 4.299 10 0 FIAERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)OCc1ccccc1)C2 ZINC000261300766 571071765 /nfs/dbraw/zinc/07/17/65/571071765.db2.gz JLRFJZDEYDVKIC-NNZMDNLPSA-N 0 0 374.481 4.091 10 0 FIAERN Cc1ccccc1CC[C@@H]1CCCN(C(=O)Cc2cnc3ccccn23)C1 ZINC000071661767 571163279 /nfs/dbraw/zinc/16/32/79/571163279.db2.gz BFZUARQDLHNCON-IBGZPJMESA-N 0 0 361.489 4.057 10 0 FIAERN O=C(Nc1ccncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000077286491 571206234 /nfs/dbraw/zinc/20/62/34/571206234.db2.gz DFBMFKHZZINXPE-UHFFFAOYSA-N 0 0 368.767 4.378 10 0 in-vitro FIAERN CCOc1ccc(C2=CN3C(c4ccc(F)cc4)=CSC3=NN2)cc1 ZINC000005593046 571307949 /nfs/dbraw/zinc/30/79/49/571307949.db2.gz LXIBPPVWEZMAHY-UHFFFAOYSA-N 0 0 353.422 4.444 10 0 FIAERN COc1ccc(C(=O)Nc2c(C)cccc2Br)cc1OC ZINC000048534327 571308800 /nfs/dbraw/zinc/30/88/00/571308800.db2.gz RDENGPNZICHMTF-UHFFFAOYSA-N 0 0 350.212 4.027 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)s3)C2)c1 ZINC000111819757 1079900747 /nfs/dbraw/zinc/90/07/47/1079900747.db2.gz CPWGOYWCFULDJR-CHWSQXEVSA-N 0 0 352.891 4.014 10 0 FIAERN CC[C@]1(CO)CCCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000187610605 1080144807 /nfs/dbraw/zinc/14/48/07/1080144807.db2.gz BLURYBXEMUPULT-RXVVDRJESA-N 0 0 372.509 4.017 10 0 FIAERN Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3c3nccs3)cc2)c1 ZINC000303568686 1081761266 /nfs/dbraw/zinc/76/12/66/1081761266.db2.gz BGFWJRIVCREGJI-KRWDZBQOSA-N 0 0 352.463 4.005 10 0 FIAERN Cc1noc(CSc2ccc(C(=O)N3CCC[C@H]3C3CCC3)cc2)n1 ZINC000328951911 1083217670 /nfs/dbraw/zinc/21/76/70/1083217670.db2.gz XKUBWBXCJSGQQC-KRWDZBQOSA-N 0 0 357.479 4.075 10 0 FIAERN O=C(CCCc1ccc(F)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000151367213 1083973561 /nfs/dbraw/zinc/97/35/61/1083973561.db2.gz KTMWZDMZLKROQD-AWEZNQCLSA-N 0 0 350.434 4.150 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)c3csc(-c4ccc(F)cc4)n3)CCO2)o1 ZINC000151704661 1084153293 /nfs/dbraw/zinc/15/32/93/1084153293.db2.gz XHLYJEZEPAAGAI-QGZVFWFLSA-N 0 0 372.421 4.064 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3nc4ccccc4s3)CCO2)o1 ZINC000151781056 1084247213 /nfs/dbraw/zinc/24/72/13/1084247213.db2.gz FRIBAFZKHJGUHR-KRWDZBQOSA-N 0 0 370.474 4.121 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(Cl)cc4cccnc43)CCO2)o1 ZINC000151811531 1084301929 /nfs/dbraw/zinc/30/19/29/1084301929.db2.gz XDFYCHGFFWGJNR-KRWDZBQOSA-N 0 0 356.809 4.003 10 0 FIAERN 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1087228469 /nfs/dbraw/zinc/22/84/69/1087228469.db2.gz UKXXKWSBQIUJHT-RYUDHWBXSA-N 0 0 364.795 4.269 10 0 FIAERN COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1Cl ZINC000159299540 1087228808 /nfs/dbraw/zinc/22/88/08/1087228808.db2.gz UKXXKWSBQIUJHT-VXGBXAGGSA-N 0 0 364.795 4.269 10 0 FIAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000109856808 1088709322 /nfs/dbraw/zinc/70/93/22/1088709322.db2.gz MMDNWHUOSLDACW-MRXNPFEDSA-N 0 0 372.538 4.038 10 0 FIAERN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179184816 1088741638 /nfs/dbraw/zinc/74/16/38/1088741638.db2.gz QWKGHCBEKGSURL-HRAATJIYSA-N 0 0 370.880 4.169 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)no1 ZINC000408012229 1088783633 /nfs/dbraw/zinc/78/36/33/1088783633.db2.gz CUUSPJVPILRHIZ-MGPQQGTHSA-N 0 0 373.419 4.268 10 0 FIAERN CCCC1CCC(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000182453006 1088916941 /nfs/dbraw/zinc/91/69/41/1088916941.db2.gz OHKVLELGVIYLFM-DAWZGUTISA-N 0 0 373.545 4.210 10 0 FIAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1Cl ZINC000408063929 1090201340 /nfs/dbraw/zinc/20/13/40/1090201340.db2.gz JZBOTZNBQKSDHB-WRSAYESZSA-N 0 0 371.308 4.121 10 0 FIAERN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)NC1CCC(O)CC1 ZINC000107758220 1090288492 /nfs/dbraw/zinc/28/84/92/1090288492.db2.gz BXMNJCMABYBZPS-ODIFPOPNSA-N 0 0 373.522 4.091 10 0 FIAERN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000408072793 1090372300 /nfs/dbraw/zinc/37/23/00/1090372300.db2.gz UCSWSYGKMHUBFZ-WDEREUQCSA-N 0 0 368.268 4.226 10 0 FIAERN CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000247583300 1091846570 /nfs/dbraw/zinc/84/65/70/1091846570.db2.gz IRFDRUOADCMMTR-NVXWUHKLSA-N 0 0 374.916 4.071 10 0 FIAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3F)CC2)n1 ZINC000163099321 1091854802 /nfs/dbraw/zinc/85/48/02/1091854802.db2.gz VXMOVVXTBCCBNU-HUUCEWRRSA-N 0 0 362.445 4.239 10 0 FIAERN Cc1nc2cc(Cl)c(NC(=O)N[C@@H]3CCOC(C)(C)C3)cc2s1 ZINC000408408403 1092550825 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CC(C)c1nnc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3sccc32)[nH]1 ZINC000329540157 1094961400 /nfs/dbraw/zinc/96/14/00/1094961400.db2.gz CUYADEFGRGJEFK-CABCVRRESA-N 0 0 358.511 4.163 10 0 FIAERN Cc1ccccc1SCC(=O)N1CCCC[C@@H]1c1nnc(C(C)C)[nH]1 ZINC000329610674 1095001841 /nfs/dbraw/zinc/00/18/41/1095001841.db2.gz NUYQKVNMVHRHDU-OAHLLOKOSA-N 0 0 358.511 4.082 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000329756601 1095252432 /nfs/dbraw/zinc/25/24/32/1095252432.db2.gz YSXLTWIWLREHQC-UPJWGTAASA-N 0 0 359.392 4.225 10 0 FIAERN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000245673647 1098565535 /nfs/dbraw/zinc/56/55/35/1098565535.db2.gz FLWAMSUOMCTYFF-SESVDKBCSA-N 0 0 374.569 4.234 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000152007822 1099367091 /nfs/dbraw/zinc/36/70/91/1099367091.db2.gz CXECUSPXQOEVQG-UYAOXDASSA-N 0 0 354.498 4.189 10 0 FIAERN CC[C@H](NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C)c1nccs1 ZINC000247429017 1099387759 /nfs/dbraw/zinc/38/77/59/1099387759.db2.gz VZWATTPPZNXYOP-KMFMINBZSA-N 0 0 359.495 4.190 10 0 FIAERN CC[C@H](C)c1ccc([C@@H](NC(=O)C[C@@H]2COC(=O)C2)c2cccs2)cc1 ZINC000247888471 1099394211 /nfs/dbraw/zinc/39/42/11/1099394211.db2.gz DQQXAJDOCAMMNU-VFCRVFHLSA-N 0 0 371.502 4.420 10 0 FIAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)c2ccc(F)cc2C1 ZINC000248658186 1099406008 /nfs/dbraw/zinc/40/60/08/1099406008.db2.gz XSTAMUHMAVXVMD-KKVAFCGZSA-N 0 0 374.500 4.198 10 0 FIAERN O=C(Nc1cc(F)ccc1Cl)c1ccc2c(c1)NC(=O)CCS2 ZINC000076242988 1099407315 /nfs/dbraw/zinc/40/73/15/1099407315.db2.gz IQYAJNWQMQAAJV-UHFFFAOYSA-N 0 0 350.802 4.166 10 0 FIAERN CCCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H](C)CC ZINC000078383031 1099531825 /nfs/dbraw/zinc/53/18/25/1099531825.db2.gz DCAZVNFICLVZMM-MRXNPFEDSA-N 0 0 362.489 4.105 10 0 FIAERN CCc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cs2)cc1 ZINC000262164605 1099699126 /nfs/dbraw/zinc/69/91/26/1099699126.db2.gz OKYYZOBQVCVLQC-OXJNMPFZSA-N 0 0 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4.332 10 0 FIAERN Cc1ccc(OCCn2c(CNC(=O)C(C)C)nc3ccccc32)cc1C ZINC000040274853 205064960 /nfs/dbraw/zinc/06/49/60/205064960.db2.gz ZOVOTUVTTHCOOJ-UHFFFAOYSA-N 0 0 365.477 4.004 10 0 FIAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000040276590 205065323 /nfs/dbraw/zinc/06/53/23/205065323.db2.gz AVBCYIAWPDZELH-UHFFFAOYSA-N 0 0 373.431 4.462 10 0 FIAERN CCC(=O)NCc1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000040274463 205065937 /nfs/dbraw/zinc/06/59/37/205065937.db2.gz FVFFINHGFFTIEJ-UHFFFAOYSA-N 0 0 373.456 4.295 10 0 FIAERN Cc1cc(C)cc(OCCn2c(CNC(=O)C(C)C)nc3ccccc32)c1 ZINC000040274769 205066044 /nfs/dbraw/zinc/06/60/44/205066044.db2.gz STAVQGCXNUGXGS-UHFFFAOYSA-N 0 0 365.477 4.004 10 0 FIAERN Cc1cc(NC(=O)c2ccccc2O)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000040308234 205066316 /nfs/dbraw/zinc/06/63/16/205066316.db2.gz YOXRKNHTWLNPNJ-UHFFFAOYSA-N 0 0 364.401 4.066 10 0 FIAERN OCCn1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040401099 205068717 /nfs/dbraw/zinc/06/87/17/205068717.db2.gz OQLVJEBTSGWMPO-UHFFFAOYSA-N 0 0 352.821 4.414 10 0 FIAERN COc1ccccc1Oc1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040758802 205080099 /nfs/dbraw/zinc/08/00/99/205080099.db2.gz WGJFGHGDVZBKBF-UHFFFAOYSA-N 0 0 373.416 4.460 10 0 FIAERN COc1ccc(Nc2ncnc(Nc3nc4ccccc4s3)c2N)cc1 ZINC000040761031 205080273 /nfs/dbraw/zinc/08/02/73/205080273.db2.gz UGVOODZYUNSACJ-UHFFFAOYSA-N 0 0 364.434 4.164 10 0 FIAERN COc1ccc(Nc2ncnc(Nc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040758614 205080689 /nfs/dbraw/zinc/08/06/89/205080689.db2.gz JCFGGGCKQMKCCK-UHFFFAOYSA-N 0 0 372.432 4.411 10 0 FIAERN COc1ccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752147 205080750 /nfs/dbraw/zinc/08/07/50/205080750.db2.gz IPZSZIBLNQRZLU-UHFFFAOYSA-N 0 0 359.389 4.152 10 0 FIAERN Cc1ccc2c(cccc2Nc2ncnc(N(C)c3ccccc3)c2N)n1 ZINC000040757956 205080813 /nfs/dbraw/zinc/08/08/13/205080813.db2.gz SXBNIZFOSVKPQX-UHFFFAOYSA-N 0 0 356.433 4.427 10 0 FIAERN Cc1ccc2nc(Nc3ncnc(-n4cnc5ccccc54)c3N)sc2c1 ZINC000040783646 205081981 /nfs/dbraw/zinc/08/19/81/205081981.db2.gz FYRKSCFLHKTNGE-UHFFFAOYSA-N 0 0 373.445 4.059 10 0 FIAERN Cc1ccc(Oc2ncnc(Nc3ccc(Br)cn3)c2N)cc1 ZINC000040779876 205082313 /nfs/dbraw/zinc/08/23/13/205082313.db2.gz GTJYUQVQUUZYGK-UHFFFAOYSA-N 0 0 372.226 4.061 10 0 FIAERN COc1ccc2oc(=O)c(C(=O)Nc3cc(C)c(Cl)cc3OC)cc2c1 ZINC000040949401 205085271 /nfs/dbraw/zinc/08/52/71/205085271.db2.gz RIIXUNRZDHQFLY-UHFFFAOYSA-N 0 0 373.792 4.024 10 0 FIAERN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2F)c2ccccc2)cc1 ZINC000040969795 205085990 /nfs/dbraw/zinc/08/59/90/205085990.db2.gz KOJXBXQIYLEGGC-UHFFFAOYSA-N 0 0 369.417 4.170 10 0 FIAERN CCOc1cccc2sc(NC(=O)COc3c(C)cccc3C)nc21 ZINC000040979969 205086029 /nfs/dbraw/zinc/08/60/29/205086029.db2.gz RECWJPHFTZUVOK-UHFFFAOYSA-N 0 0 356.447 4.329 10 0 FIAERN Cc1ccccc1C(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000040968002 205086765 /nfs/dbraw/zinc/08/67/65/205086765.db2.gz OWQXUHFQBSXKAY-UHFFFAOYSA-N 0 0 351.427 4.031 10 0 FIAERN CCOC(=O)c1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1OC ZINC000041011639 205087276 /nfs/dbraw/zinc/08/72/76/205087276.db2.gz OUKXKYSJQMZYJK-UHFFFAOYSA-N 0 0 368.216 4.431 10 0 FIAERN Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)cc1C ZINC000042746405 205097628 /nfs/dbraw/zinc/09/76/28/205097628.db2.gz MDXHOFUMEIHOST-NRFANRHFSA-N 0 0 366.486 4.109 10 0 FIAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCc2ccccc21 ZINC000040687329 205076068 /nfs/dbraw/zinc/07/60/68/205076068.db2.gz CWXPRWVKUKNALG-UHFFFAOYSA-N 0 0 361.493 4.134 10 0 FIAERN Nc1c(NCc2ccccc2)ncnc1Oc1ccc(Br)cc1 ZINC000040709394 205076680 /nfs/dbraw/zinc/07/66/80/205076680.db2.gz HSYJSEXGYDCPQW-UHFFFAOYSA-N 0 0 371.238 4.226 10 0 FIAERN Cc1ccnc(Nc2ncnc(Nc3cccc(Br)c3)c2N)c1 ZINC000040701415 205077697 /nfs/dbraw/zinc/07/76/97/205077697.db2.gz AFMXUUGNGHTPAT-UHFFFAOYSA-N 0 0 371.242 4.012 10 0 FIAERN CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000043047595 205099644 /nfs/dbraw/zinc/09/96/44/205099644.db2.gz RDPFERDIBUGGHD-UHFFFAOYSA-N 0 0 365.410 4.242 10 0 FIAERN C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2 ZINC000048252656 205154025 /nfs/dbraw/zinc/15/40/25/205154025.db2.gz MTCIRECZUCGATQ-LLVKDONJSA-N 0 0 369.494 4.146 10 0 FIAERN Cc1nnc(SC(=Cc2cccs2)C(=O)Nc2ccc(C)cc2)[nH]1 ZINC000048513065 205163938 /nfs/dbraw/zinc/16/39/38/205163938.db2.gz WYEFDKBGCSONCL-XNTDXEJSSA-N 0 0 356.476 4.255 10 0 FIAERN O=C1/C(=C/c2ccccc2Br)S[C@H]2Nc3ccccc3N12 ZINC000048513074 205164819 /nfs/dbraw/zinc/16/48/19/205164819.db2.gz JGHJKAQCAASRKF-MBSJSRAVSA-N 0 0 359.248 4.279 10 0 FIAERN Brc1ccc(NCCc2ccncc2)c(Br)c1 ZINC000049163666 205170057 /nfs/dbraw/zinc/17/00/57/205170057.db2.gz JZLBMTBQZYDARJ-UHFFFAOYSA-N 0 0 356.061 4.261 10 0 FIAERN CCCCNC(=O)CNc1c(Cl)cc(Br)cc1Cl ZINC000049280128 205172270 /nfs/dbraw/zinc/17/22/70/205172270.db2.gz KBIKLORMCNGDIZ-UHFFFAOYSA-N 0 0 354.075 4.084 10 0 FIAERN CNc1ccc(COc2c(Br)cccc2Br)cn1 ZINC000050832121 205179731 /nfs/dbraw/zinc/17/97/31/205179731.db2.gz YUNMGTQRVQNIJE-UHFFFAOYSA-N 0 0 372.060 4.227 10 0 FIAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(OCC)c1 ZINC000054618312 205201802 /nfs/dbraw/zinc/20/18/02/205201802.db2.gz KJHQXADYRFTMMQ-UHFFFAOYSA-N 0 0 371.433 4.118 10 0 FIAERN CCCCOc1cccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c1 ZINC000054618711 205202385 /nfs/dbraw/zinc/20/23/85/205202385.db2.gz IZWDLRJVOXRQSH-UHFFFAOYSA-N 0 0 371.433 4.118 10 0 FIAERN CC(C)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000055110021 205208059 /nfs/dbraw/zinc/20/80/59/205208059.db2.gz AUUCQBCGLNAJNG-HNNXBMFYSA-N 0 0 364.445 4.388 10 0 FIAERN Clc1cc(Br)cc(Cl)c1N[C@H]1CCN(C2CC2)C1 ZINC000061980494 205290512 /nfs/dbraw/zinc/29/05/12/205290512.db2.gz DNKOGZIDAZPZRI-VIFPVBQESA-N 0 0 350.087 4.405 10 0 FIAERN C[C@H](O)Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000062771423 205292077 /nfs/dbraw/zinc/29/20/77/205292077.db2.gz LJMNIVKPNXCRPT-QMMMGPOBSA-N 0 0 360.045 4.395 10 0 FIAERN Cc1oc(-c2ccsc2)nc1CN(C)Cc1ccc2nccnc2c1 ZINC000063845026 205295191 /nfs/dbraw/zinc/29/51/91/205295191.db2.gz AWVYEMPPZMIOIJ-UHFFFAOYSA-N 0 0 350.447 4.287 10 0 FIAERN Cc1ccc2c(C(=O)N3CCCC[C@H]3C)cc(-c3cncnc3)nc2c1C ZINC000063856443 205296153 /nfs/dbraw/zinc/29/61/53/205296153.db2.gz XETBRKIFQZPCGT-OAHLLOKOSA-N 0 0 360.461 4.323 10 0 FIAERN CC[C@@H](C(=O)N1CC(OCc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000064666069 205301483 /nfs/dbraw/zinc/30/14/83/205301483.db2.gz BZXIHKKAVMDQFS-GOSISDBHSA-N 0 0 361.844 4.400 10 0 FIAERN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCC(C)C ZINC000065240959 205328507 /nfs/dbraw/zinc/32/85/07/205328507.db2.gz HLXHYDXRCAWSIQ-UHFFFAOYSA-N 0 0 356.495 4.435 10 0 FIAERN O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NC1CCCCCC1 ZINC000064847166 205306875 /nfs/dbraw/zinc/30/68/75/205306875.db2.gz ZSVFUYHNOXPFBN-UHFFFAOYSA-N 0 0 357.498 4.160 10 0 FIAERN C[C@H](NC(=O)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000071869591 205452803 /nfs/dbraw/zinc/45/28/03/205452803.db2.gz RVQTZXSVXYBFSL-ZDUSSCGKSA-N 0 0 359.267 4.278 10 0 FIAERN O=c1[nH]c(Nc2ccccc2Cl)nc2nccc(-c3cccs3)c12 ZINC000072441142 205550378 /nfs/dbraw/zinc/55/03/78/205550378.db2.gz SVWFJZUWKILJTD-UHFFFAOYSA-N 0 0 354.822 4.444 10 0 FIAERN COc1ccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)c(OC)c1 ZINC000072443631 205551831 /nfs/dbraw/zinc/55/18/31/205551831.db2.gz WAYPTRRGBOXGTE-VQHVLOKHSA-N 0 0 359.429 4.358 10 0 FIAERN Cc1nn(-c2ccccc2C)c(C)c1[C@H]1C=C[C@@H](OC(=O)NC(C)C)C1 ZINC000015673868 205575924 /nfs/dbraw/zinc/57/59/24/205575924.db2.gz OYUAQMAVCCWCDK-ZWKOTPCHSA-N 0 0 353.466 4.344 10 0 biogenic FIAERN CC(C)N(C(=O)n1c(I)cc2ccccc21)C(C)C ZINC000089203538 205663198 /nfs/dbraw/zinc/66/31/98/205663198.db2.gz KRVZENPHVHFWAI-UHFFFAOYSA-N 0 0 370.234 4.333 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1ccc(Cl)nn1 ZINC000095086214 205722091 /nfs/dbraw/zinc/72/20/91/205722091.db2.gz AVEANBNVDQMOMK-CYBMUJFWSA-N 0 0 355.866 4.079 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1ccc(Br)cn1 ZINC000095086583 205722118 /nfs/dbraw/zinc/72/21/18/205722118.db2.gz HINFJEKPPZEGSZ-ZDUSSCGKSA-N 0 0 371.275 4.013 10 0 FIAERN COc1ccccc1NC(=O)c1c(C)nc(-c2ccco2)nc1SC ZINC000105632047 206008581 /nfs/dbraw/zinc/00/85/81/206008581.db2.gz WIJWNPBINKPIRT-UHFFFAOYSA-N 0 0 355.419 4.028 10 0 FIAERN COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC ZINC000105921685 206011693 /nfs/dbraw/zinc/01/16/93/206011693.db2.gz AVCAFQYPYMPEDO-CHWSQXEVSA-N 0 0 359.491 4.381 10 0 FIAERN CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1 ZINC000106311361 206014669 /nfs/dbraw/zinc/01/46/69/206014669.db2.gz ASODCLIALCIYGY-UHFFFAOYSA-N 0 0 367.449 4.190 10 0 FIAERN COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000108858500 206040081 /nfs/dbraw/zinc/04/00/81/206040081.db2.gz TZQRLJADBIXCPL-LBPRGKRZSA-N 0 0 373.815 4.164 10 0 FIAERN COc1ccc(Nc2nc(-c3ccc4c[nH]nc4c3)cn3ccnc23)cc1 ZINC000147134791 206140980 /nfs/dbraw/zinc/14/09/80/206140980.db2.gz CTXPQDLOLDSBCV-UHFFFAOYSA-N 0 0 356.389 4.025 10 0 FIAERN CCCCC[C@H](O)/C=C/CCOC(=O)CCCCCCCC(=O)OC ZINC000169321083 206250304 /nfs/dbraw/zinc/25/03/04/206250304.db2.gz IDSOQTYQQXCPBD-BJRSVTDJSA-N 0 0 356.503 4.321 10 0 FIAERN Ic1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020308926 206330678 /nfs/dbraw/zinc/33/06/78/206330678.db2.gz SNVIHMIOXCELME-UHFFFAOYSA-N 0 0 360.198 4.452 10 0 FIAERN Clc1ccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000197262599 132267522 /nfs/dbraw/zinc/26/75/22/132267522.db2.gz ILOOKVCTLHDKDI-UHFFFAOYSA-N 0 0 353.853 4.317 10 0 FIAERN O=C(CSc1ccc(-c2cccs2)nn1)N1CCCc2ccccc21 ZINC000006858826 132837396 /nfs/dbraw/zinc/83/73/96/132837396.db2.gz MUBVTGATAWFVCG-UHFFFAOYSA-N 0 0 367.499 4.277 10 0 FIAERN CC1CCN(c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)CC1 ZINC000040704007 136119771 /nfs/dbraw/zinc/11/97/71/136119771.db2.gz ZCXVZNKWKKATKX-UHFFFAOYSA-N 0 0 352.269 4.346 10 0 FIAERN Cc1ccc(CNc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260682 136143985 /nfs/dbraw/zinc/14/39/85/136143985.db2.gz KPOPKAVVSAMNFG-CALCHBBNSA-N 0 0 362.477 4.164 10 0 FIAERN CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652646 520009377 /nfs/dbraw/zinc/00/93/77/520009377.db2.gz HRHMSDDFRMSSCB-KRWDZBQOSA-N 0 0 362.470 4.045 10 0 FIAERN CCCOc1c(CNCc2ccco2)cc(Br)cc1OC ZINC000020934334 520292302 /nfs/dbraw/zinc/29/23/02/520292302.db2.gz MMTIPWVYLFXVML-UHFFFAOYSA-N 0 0 354.244 4.129 10 0 FIAERN CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(Br)c(N)cc21 ZINC000098180677 534798461 /nfs/dbraw/zinc/79/84/61/534798461.db2.gz MSOKBBJQHCEINZ-UHFFFAOYSA-N 0 0 355.276 4.454 10 0 FIAERN C[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657160 524785944 /nfs/dbraw/zinc/78/59/44/524785944.db2.gz MFHFEXAZQDNMKA-RDJZCZTQSA-N 0 0 362.470 4.043 10 0 FIAERN Cc1c([C@@H](C)NC(=O)CSc2ccccc2)cnn1-c1ccccc1 ZINC000091650177 525886773 /nfs/dbraw/zinc/88/67/73/525886773.db2.gz ATMXURAFCWGIMO-OAHLLOKOSA-N 0 0 351.475 4.150 10 0 FIAERN CCN(C)C(=O)c1ccc(C(F)(F)F)cc1-c1ccc(OC)c(OC)c1 ZINC000000900568 560179642 /nfs/dbraw/zinc/17/96/42/560179642.db2.gz XFOXDUJCOHBXRC-UHFFFAOYSA-N 0 0 367.367 4.482 10 0 in-vitro FIAERN CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000159188113 567910869 /nfs/dbraw/zinc/91/08/69/567910869.db2.gz WONOCAOJNDROAE-MGPUTAFESA-N 0 0 353.510 4.457 10 0 FIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2C(=O)Nc3ccccc32)o1 ZINC000128546784 567948534 /nfs/dbraw/zinc/94/85/34/567948534.db2.gz LRBJUEBPJKBERX-AEFFLSMTSA-N 0 0 352.434 4.022 10 0 FIAERN Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188605933 567986766 /nfs/dbraw/zinc/98/67/66/567986766.db2.gz WTHUOAKGRLHIDI-FQEVSTJZSA-N 0 0 362.452 4.444 10 0 FIAERN CCC1(CC)CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000188610590 567988478 /nfs/dbraw/zinc/98/84/78/567988478.db2.gz YCNRVUFGDMEJBE-ICSRJNTNSA-N 0 0 356.510 4.025 10 0 FIAERN FC(F)n1ccnc1CN[C@H]1CCCOc2c(Br)cccc21 ZINC000162234909 567995208 /nfs/dbraw/zinc/99/52/08/567995208.db2.gz PXJQKFYMABFARF-LBPRGKRZSA-N 0 0 372.213 4.044 10 0 FIAERN CC[C@@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1nccs1 ZINC000162585124 568043549 /nfs/dbraw/zinc/04/35/49/568043549.db2.gz QQLQDHRSFDPHIA-CQSZACIVSA-N 0 0 370.478 4.325 10 0 FIAERN O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000228488032 568079754 /nfs/dbraw/zinc/07/97/54/568079754.db2.gz QPBVNDJAFFQDLE-HYVNUMGLSA-N 0 0 356.279 4.104 10 0 FIAERN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121646801 568108531 /nfs/dbraw/zinc/10/85/31/568108531.db2.gz FXRNOMAPMDTPAE-XOBRGWDASA-N 0 0 374.868 4.071 10 0 FIAERN C[C@@H](NC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1)c1cccs1 ZINC000051676834 568164878 /nfs/dbraw/zinc/16/48/78/568164878.db2.gz WFHMAIPFWOOONQ-PBHICJAKSA-N 0 0 362.470 4.339 10 0 FIAERN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)cc2c1 ZINC000408261381 568218286 /nfs/dbraw/zinc/21/82/86/568218286.db2.gz OFEWTCABSGHVFI-XOHCFOMMSA-N 0 0 366.505 4.253 10 0 FIAERN CCn1c(C)cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1C ZINC000032350230 568391352 /nfs/dbraw/zinc/39/13/52/568391352.db2.gz KHBBIIOKTJCWSK-SFHVURJKSA-N 0 0 370.522 4.225 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-c3nncn3C)c2)cc1 ZINC000128803582 568543058 /nfs/dbraw/zinc/54/30/58/568543058.db2.gz IAMKOGWXMBRRQM-PMACEKPBSA-N 0 0 360.461 4.348 10 0 FIAERN COc1ccc(-c2n[nH]cc2CNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000075344398 570611318 /nfs/dbraw/zinc/61/13/18/570611318.db2.gz ZENAHQKYYJLLRA-UHFFFAOYSA-N 0 0 356.813 4.060 10 0 FIAERN Nc1c2c(nn1-c1ccccc1)nc(N1CCCCC1)nc2-c1ccccc1 ZINC000035929357 571210037 /nfs/dbraw/zinc/21/00/37/571210037.db2.gz GTNZLQUKJLOHHZ-UHFFFAOYSA-N 0 0 370.460 4.055 10 0 FIAERN CCCOC(=O)c1ccc(-c2nc3c(ccc(N)c3Br)[nH]2)cc1 ZINC000078400752 571215916 /nfs/dbraw/zinc/21/59/16/571215916.db2.gz TVCVOARSVIJAJX-UHFFFAOYSA-N 0 0 374.238 4.141 10 0 FIAERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1nc(-c2ccccc2)no1 ZINC000169793307 571254378 /nfs/dbraw/zinc/25/43/78/571254378.db2.gz YPAFKPHXNKBXRW-GUYCJALGSA-N 0 0 366.396 4.143 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000111799213 1079900089 /nfs/dbraw/zinc/90/00/89/1079900089.db2.gz IDBXDJGIBCAEFJ-UTKZUKDTSA-N 0 0 362.477 4.452 10 0 FIAERN 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FWUVMZJCJMGQMA-UHFFFAOYSA-N 0 0 357.421 4.106 10 0 FIAERN CCN(c1cccc2ccccc21)c1ncnc(Nc2cc(C)on2)c1N ZINC000040680821 205076138 /nfs/dbraw/zinc/07/61/38/205076138.db2.gz HQUDTGJTWWSWEY-UHFFFAOYSA-N 0 0 360.421 4.410 10 0 FIAERN Nc1c(Sc2cccc3cccnc32)ncnc1N1CCc2ccccc21 ZINC000040687479 205076367 /nfs/dbraw/zinc/07/63/67/205076367.db2.gz PJOZWEMEVKOKEV-UHFFFAOYSA-N 0 0 371.469 4.452 10 0 FIAERN Nc1c(Nc2ccccc2C(F)(F)F)[nH]cnc1=NNc1ccccc1 ZINC000040701760 205076893 /nfs/dbraw/zinc/07/68/93/205076893.db2.gz LFHFHRKAIFIRRI-UHFFFAOYSA-N 0 0 360.343 4.260 10 0 FIAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1-n1cnc2ccccc21 ZINC000040704343 205077919 /nfs/dbraw/zinc/07/79/19/205077919.db2.gz BCXGYTOSCUBRSA-UHFFFAOYSA-N 0 0 371.231 4.448 10 0 FIAERN Nc1c(Sc2cccc3cccnc32)ncnc1N1CCCCCC1 ZINC000040725744 205078667 /nfs/dbraw/zinc/07/86/67/205078667.db2.gz ZBQNPOZXICDWCB-UHFFFAOYSA-N 0 0 351.479 4.139 10 0 FIAERN COc1ccc(-c2nonc2NC(=O)c2cccc3ccccc32)c(C)c1 ZINC000047133253 205143086 /nfs/dbraw/zinc/14/30/86/205143086.db2.gz JDHWWZRWWXSMQI-UHFFFAOYSA-N 0 0 359.385 4.459 10 0 FIAERN CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccc(F)cc2c1=O ZINC000085346453 205166866 /nfs/dbraw/zinc/16/68/66/205166866.db2.gz DNGOXRDDAOGLSU-UHFFFAOYSA-N 0 0 359.784 4.019 10 0 FIAERN CC[C@@H]1CN(Cc2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000055227261 205212287 /nfs/dbraw/zinc/21/22/87/205212287.db2.gz ISIPCMVZVRGNCV-OAHLLOKOSA-N 0 0 354.475 4.478 10 0 FIAERN CC(C)CNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000064526637 205299445 /nfs/dbraw/zinc/29/94/45/205299445.db2.gz QUZJWIREEKPKSL-UHFFFAOYSA-N 0 0 370.880 4.396 10 0 FIAERN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCCC1 ZINC000065240965 205328633 /nfs/dbraw/zinc/32/86/33/205328633.db2.gz KGSSWLBBAAYYQH-UHFFFAOYSA-N 0 0 354.479 4.285 10 0 FIAERN COc1ccc(CCC(=O)Nc2nc3c(cccc3F)s2)cc1OC ZINC000065005167 205313978 /nfs/dbraw/zinc/31/39/78/205313978.db2.gz VBRGRKODVRCGQJ-UHFFFAOYSA-N 0 0 360.410 4.024 10 0 FIAERN O=C(c1cccs1)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135681 205319240 /nfs/dbraw/zinc/31/92/40/205319240.db2.gz XJTVKKGJPVVTTO-HNNXBMFYSA-N 0 0 367.449 4.364 10 0 FIAERN O=C(c1cccs1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135683 205319262 /nfs/dbraw/zinc/31/92/62/205319262.db2.gz XJTVKKGJPVVTTO-OAHLLOKOSA-N 0 0 367.449 4.364 10 0 FIAERN O=C(c1ccccc1)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135780 205319455 /nfs/dbraw/zinc/31/94/55/205319455.db2.gz UOTWJJNQBCZNSZ-SFHVURJKSA-N 0 0 361.420 4.303 10 0 FIAERN Cc1cccc(Nc2nccc([C@@H]3CCCN(C(=O)CC(C)C)C3)n2)c1 ZINC000065147991 205319681 /nfs/dbraw/zinc/31/96/81/205319681.db2.gz NHKBLCBBBKRPKC-QGZVFWFLSA-N 0 0 352.482 4.281 10 0 FIAERN COc1ccc(CNC(=O)c2cc3cn(C(C)C)cc3s2)c(OC)c1 ZINC000065285439 205334302 /nfs/dbraw/zinc/33/43/02/205334302.db2.gz AAALAEAFQTXBSS-UHFFFAOYSA-N 0 0 358.463 4.231 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000066139102 205364429 /nfs/dbraw/zinc/36/44/29/205364429.db2.gz IRUWVJPUDXOJLJ-LJQANCHMSA-N 0 0 353.462 4.322 10 0 FIAERN Cc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000069047930 205413229 /nfs/dbraw/zinc/41/32/29/205413229.db2.gz FYBZAFHGEJQBLT-GOSISDBHSA-N 0 0 358.869 4.350 10 0 FIAERN CCOC(=O)CC/C=C1/CC[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000091353339 205669883 /nfs/dbraw/zinc/66/98/83/205669883.db2.gz NSXKVQNHXBAKRT-IFORROHYSA-N 0 0 351.487 4.456 10 0 FIAERN COc1cccc2c(I)cn(C(=O)OC(C)(C)C)c21 ZINC000095929805 205795960 /nfs/dbraw/zinc/79/59/60/205795960.db2.gz ZOXGUWQJKXFCDX-UHFFFAOYSA-N 0 0 373.190 4.038 10 0 FIAERN CNc1c(C)c(C(F)(F)F)nc2c(I)cccc21 ZINC000104214391 205998907 /nfs/dbraw/zinc/99/89/07/205998907.db2.gz FWGMVPXBCIZFRY-UHFFFAOYSA-N 0 0 366.124 4.208 10 0 FIAERN C[C@H]1CCc2[nH]c3c(cccc3C(=O)Nc3ccc4c(c3)OCCO4)c2C1 ZINC000106117315 206012766 /nfs/dbraw/zinc/01/27/66/206012766.db2.gz DQBFQBNCJDLFSY-ZDUSSCGKSA-N 0 0 362.429 4.316 10 0 FIAERN C[C@H](NC(=O)C1=NO[C@@H](c2ccccc2)C1)c1cccc(Br)c1 ZINC000108786091 206039406 /nfs/dbraw/zinc/03/94/06/206039406.db2.gz HZJJWBBAIXSGJF-YVEFUNNKSA-N 0 0 373.250 4.144 10 0 FIAERN CC(C)n1c(=O)cc(OCc2ccc(F)cc2F)nc1-c1ccccc1 ZINC000144559566 206139095 /nfs/dbraw/zinc/13/90/95/206139095.db2.gz DQJBGYKTYHHOTO-UHFFFAOYSA-N 0 0 356.372 4.348 10 0 FIAERN CCCn1c(C(=O)OC)c(Cl)c2ccnc(NCc3ccccc3)c21 ZINC000146254843 206139338 /nfs/dbraw/zinc/13/93/38/206139338.db2.gz YOWRGOCYCJZQSJ-UHFFFAOYSA-N 0 0 357.841 4.498 10 0 FIAERN O[C@@H](c1sccc1Br)c1cc2c(cc1Cl)OCCO2 ZINC000104290453 206238546 /nfs/dbraw/zinc/23/85/46/206238546.db2.gz NVPGTPNEGVHKSL-GFCCVEGCSA-N 0 0 361.644 4.017 10 0 FIAERN O=C(c1c[nH]c2ncc(Br)cc12)c1cccc(Cl)c1F ZINC000114715448 206308126 /nfs/dbraw/zinc/30/81/26/206308126.db2.gz IEAODMOXTVOEOW-UHFFFAOYSA-N 0 0 353.578 4.349 10 0 FIAERN COc1ccc2[nH]c(Sc3ccc(Br)cc3N)nc2c1 ZINC000019845611 206329014 /nfs/dbraw/zinc/32/90/14/206329014.db2.gz NWVVLYAQYMKOME-UHFFFAOYSA-N 0 0 350.241 4.067 10 0 FIAERN c1c(-c2nn[nH]n2)sc2cncc(Nc3ccc(-c4ccccc4)cn3)c12 ZINC000202091321 206335830 /nfs/dbraw/zinc/33/58/30/206335830.db2.gz CACIZXGFMSGXFW-UHFFFAOYSA-N 0 0 371.429 4.282 10 0 FIAERN COc1ccc2[nH]c(C(F)(F)F)c(CCNC(=O)OC(C)(C)C)c2c1 ZINC000216623809 206359565 /nfs/dbraw/zinc/35/95/65/206359565.db2.gz VCEWFQDGCVZDAD-UHFFFAOYSA-N 0 0 358.360 4.263 10 0 FIAERN CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@H]1CCCC3 ZINC000252009943 206572409 /nfs/dbraw/zinc/57/24/09/206572409.db2.gz RFGMIDHPFYCJDM-ZWMIXYGISA-N 0 0 371.477 4.065 10 0 FIAERN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccccc1 ZINC000033312617 132374330 /nfs/dbraw/zinc/37/43/30/132374330.db2.gz LOQHSVMKHCEYAW-UHFFFAOYSA-N 0 0 352.463 4.242 10 0 FIAERN O=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)C1(c2ccccc2)CC1 ZINC000065149149 136135139 /nfs/dbraw/zinc/13/51/39/136135139.db2.gz BFZGWMNLVSQTSJ-UHFFFAOYSA-N 0 0 372.472 4.290 10 0 FIAERN O=C(c1cccc(Cl)c1)N1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000072470947 136148950 /nfs/dbraw/zinc/14/89/50/136148950.db2.gz JEUCTJQHYAWAPP-UHFFFAOYSA-N 0 0 369.829 4.465 10 0 FIAERN O=S(=O)(Nc1c(Cl)cc(Cl)cc1Cl)c1ccnc(Cl)c1 ZINC000038008613 263399799 /nfs/dbraw/zinc/39/97/99/263399799.db2.gz IQFCRSGYMDXGRK-UHFFFAOYSA-N 0 0 372.060 4.496 10 0 FIAERN Cc1nc2ccccc2n1C(F)(F)[C@H](O)c1ccccc1Br ZINC000057354393 263412578 /nfs/dbraw/zinc/41/25/78/263412578.db2.gz UWFPNSUQCJSFBZ-OAHLLOKOSA-N 0 0 367.193 4.390 10 0 FIAERN CCOC(=O)C[C@](c1ccccc1)(N1CCCC1)C(F)(F)C(F)(F)F ZINC000390824783 520902576 /nfs/dbraw/zinc/90/25/76/520902576.db2.gz QITFAHSRLNNPFH-OAHLLOKOSA-N 0 0 365.342 4.129 10 0 FIAERN CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1ccc(C)cc1C ZINC000072443099 536071153 /nfs/dbraw/zinc/07/11/53/536071153.db2.gz CIRJOMMJBKYGTH-UHFFFAOYSA-N 0 0 368.525 4.146 10 0 FIAERN CCCCOc1ncccc1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186536141 567943145 /nfs/dbraw/zinc/94/31/45/567943145.db2.gz PCNLYROUEDVALT-KRWDZBQOSA-N 0 0 374.510 4.072 10 0 FIAERN COc1cc([C@@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)ccc1F ZINC000188583434 567965687 /nfs/dbraw/zinc/96/56/87/567965687.db2.gz MSGGRXIKAHSBNZ-CQSZACIVSA-N 0 0 366.440 4.136 10 0 FIAERN CC(C)CO[C@H]1C[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1(C)C ZINC000188588641 567974407 /nfs/dbraw/zinc/97/44/07/567974407.db2.gz WLDDOAYVGWVBMZ-OALUTQOASA-N 0 0 368.525 4.067 10 0 FIAERN CCOc1ccc([C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)c2ccccc2)cc1 ZINC000188616242 567995014 /nfs/dbraw/zinc/99/50/14/567995014.db2.gz ILFQFEHPFNUCPE-MAODMQOUSA-N 0 0 353.462 4.106 10 0 FIAERN C[C@@H](NC(=O)Nc1cccc(C(C)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000186979855 568034206 /nfs/dbraw/zinc/03/42/06/568034206.db2.gz KIJIVYCRYJOZOG-GFCCVEGCSA-N 0 0 362.376 4.452 10 0 FIAERN CC[C@H](NC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1nccs1 ZINC000162585000 568043554 /nfs/dbraw/zinc/04/35/54/568043554.db2.gz QQLQDHRSFDPHIA-AWEZNQCLSA-N 0 0 370.478 4.325 10 0 FIAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@@H]2CCC[C@H]21 ZINC000330294896 568140099 /nfs/dbraw/zinc/14/00/99/568140099.db2.gz FJYKBQNJNHJFFI-GOEBONIOSA-N 0 0 364.474 4.010 10 0 FIAERN Cc1ccc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000051677259 568165284 /nfs/dbraw/zinc/16/52/84/568165284.db2.gz LHNGNMGQAFHNII-QAPCUYQASA-N 0 0 360.429 4.179 10 0 FIAERN CC1(C)C[C@@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000408292938 568348307 /nfs/dbraw/zinc/34/83/07/568348307.db2.gz VYPNYTNZVCIWPH-QUCCMNQESA-N 0 0 366.461 4.072 10 0 FIAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c(C)cc1Cl ZINC000408315904 568546633 /nfs/dbraw/zinc/54/66/33/568546633.db2.gz MDZZFPLGTUBYBD-QGZVFWFLSA-N 0 0 372.900 4.252 10 0 FIAERN O=C(Nc1cccc(Cl)c1Cl)N1CCO[C@@H](c2nccs2)C1 ZINC000111703380 568668705 /nfs/dbraw/zinc/66/87/05/568668705.db2.gz SWTVIPGHEYROJQ-LLVKDONJSA-N 0 0 358.250 4.055 10 0 FIAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000408325631 568679263 /nfs/dbraw/zinc/67/92/63/568679263.db2.gz CEXNJWZUDIXDKT-KOHJWAIASA-N 0 0 356.388 4.190 10 0 FIAERN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccco3)cc12 ZINC000064666293 570750248 /nfs/dbraw/zinc/75/02/48/570750248.db2.gz IMTDCFJPXZDREV-UHFFFAOYSA-N 0 0 356.378 4.485 10 0 FIAERN S=C(NC1CCCC1)N(Cc1ccc2c(c1)OCO2)C[C@H]1CC=CCC1 ZINC000017076355 570867771 /nfs/dbraw/zinc/86/77/71/570867771.db2.gz QNVZQMCSLAADNI-INIZCTEOSA-N 0 0 372.534 4.391 10 0 FIAERN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cc(F)ccc3F)c2)o1 ZINC000021032372 570967142 /nfs/dbraw/zinc/96/71/42/570967142.db2.gz NKTQGKWPDSCBLA-UHFFFAOYSA-N 0 0 364.373 4.037 10 0 FIAERN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCCC1=CCCCC1 ZINC000015727478 571110663 /nfs/dbraw/zinc/11/06/63/571110663.db2.gz USNWTOPIGNGXIA-UHFFFAOYSA-N 0 0 368.481 4.142 10 0 FIAERN COCCCNC(=O)c1cc(C)nc2c(-c3ccc(F)cc3)cccc12 ZINC000033036805 571111807 /nfs/dbraw/zinc/11/18/07/571111807.db2.gz CJUVDMAPRVUUQW-UHFFFAOYSA-N 0 0 352.409 4.116 10 0 FIAERN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000035777858 571201464 /nfs/dbraw/zinc/20/14/64/571201464.db2.gz CORHEFGMAPJGEJ-UHFFFAOYSA-N 0 0 364.449 4.236 10 0 FIAERN O=C(c1cccnc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000021715395 571335697 /nfs/dbraw/zinc/33/56/97/571335697.db2.gz VEQHHXHNYWUHHJ-QFIPXVFZSA-N 0 0 353.425 4.351 10 0 FIAERN CC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCCCC3)c2F)cc1 ZINC000004266089 571357410 /nfs/dbraw/zinc/35/74/10/571357410.db2.gz RUFIYMMGULGGKY-UHFFFAOYSA-N 0 0 350.340 4.484 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)C2)c1 ZINC000111803819 1079900171 /nfs/dbraw/zinc/90/01/71/1079900171.db2.gz ROSQVKZWXXLZHQ-MOPGFXCFSA-N 0 0 372.900 4.343 10 0 FIAERN CSc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000152056731 1080408804 /nfs/dbraw/zinc/40/88/04/1080408804.db2.gz BESMIQHDLUJVRI-SJCJKPOMSA-N 0 0 354.903 4.221 10 0 FIAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000246319116 1080560258 /nfs/dbraw/zinc/56/02/58/1080560258.db2.gz CXZXUQSJVGVEFQ-SZVBFZGTSA-N 0 0 355.482 4.108 10 0 FIAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246346641 1080904514 /nfs/dbraw/zinc/90/45/14/1080904514.db2.gz NPALRFQDOOPKCL-MMOPVJDHSA-N 0 0 374.550 4.054 10 0 FIAERN O=C(N[C@H]1CCCn2ncnc21)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000176600006 1081126801 /nfs/dbraw/zinc/12/68/01/1081126801.db2.gz PJCLEQNUCFMWMW-DLBZAZTESA-N 0 0 373.888 4.093 10 0 FIAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1Cl ZINC000176671676 1081131099 /nfs/dbraw/zinc/13/10/99/1081131099.db2.gz NPSOHRVDKPEIOW-MRXNPFEDSA-N 0 0 373.888 4.335 10 0 FIAERN Cc1ccc([C@H]2CCCN2S(=O)(=O)C2CCC(C(F)(F)F)CC2)o1 ZINC000289235095 1081181650 /nfs/dbraw/zinc/18/16/50/1081181650.db2.gz VTWUOUUWKVHOBQ-JXQTWKCFSA-N 0 0 365.417 4.176 10 0 FIAERN C[C@H]1CC[C@@H](NC(=O)NCc2nnc(C(C)(C)C)s2)c2ccccc21 ZINC000332708101 1084784928 /nfs/dbraw/zinc/78/49/28/1084784928.db2.gz JAWXXCZXEZSXCO-SWLSCSKDSA-N 0 0 358.511 4.273 10 0 FIAERN CC(C)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000332778919 1084851677 /nfs/dbraw/zinc/85/16/77/1084851677.db2.gz NPCGIDVJPVXASS-PNYFIKQUSA-N 0 0 361.530 4.263 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000408121883 1085180318 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1099352474 /nfs/dbraw/zinc/35/24/74/1099352474.db2.gz ABXBOXKXTDGUDA-IIBYNOLFSA-N 0 0 369.461 4.051 10 0 FIAERN O[C@H](C[C@@H]1CCCN1Cc1ncc(-c2ccccc2F)o1)c1ccco1 ZINC000246663827 1099372261 /nfs/dbraw/zinc/37/22/61/1099372261.db2.gz QBZCYOVMEFTQSR-WMLDXEAASA-N 0 0 356.397 4.162 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)no1 ZINC000247242988 1099387115 /nfs/dbraw/zinc/38/71/15/1099387115.db2.gz YBHKTEUVYCQGNI-XHSDSOJGSA-N 0 0 359.857 4.314 10 0 FIAERN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000247579452 1099390976 /nfs/dbraw/zinc/39/09/76/1099390976.db2.gz LCFJZLMRSXDDGS-MRVWCRGKSA-N 0 0 364.276 4.226 10 0 FIAERN Cc1cc(Cl)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247579499 1099391117 /nfs/dbraw/zinc/39/11/17/1099391117.db2.gz YDXPNPSNAOGCFC-DNVCBOLYSA-N 0 0 372.900 4.076 10 0 FIAERN Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2)n1 ZINC000247657588 1099391914 /nfs/dbraw/zinc/39/19/14/1099391914.db2.gz 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CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2c2cc([C@@H]3C[C@H](C)C(=O)O3)n3c2[C@H]1CCCC3 ZINC000252009620 206573040 /nfs/dbraw/zinc/57/30/40/206573040.db2.gz RFGMIDHPFYCJDM-IDFOFGAHSA-N 0 0 371.477 4.065 10 0 FIAERN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000105628014 132239008 /nfs/dbraw/zinc/23/90/08/132239008.db2.gz XHSOGHPQHMKCQP-HXUWFJFHSA-N 0 0 366.436 4.320 10 0 FIAERN CC1CCN(c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)CC1 ZINC000040733107 136120432 /nfs/dbraw/zinc/12/04/32/136120432.db2.gz TZEOJRWWLUDYHZ-UHFFFAOYSA-N 0 0 351.376 4.058 10 0 FIAERN O=C(c1cnc2cc(C(F)(F)F)ccc2c1O)N1CCCc2ccccc21 ZINC000041055854 136120642 /nfs/dbraw/zinc/12/06/42/136120642.db2.gz MEPONPAJNJIBGN-UHFFFAOYSA-N 0 0 372.346 4.140 10 0 FIAERN CN1c2cc(Cl)ccc2OC[C@@H]1CC(=O)NC1CCCCCCC1 ZINC000064663653 136133543 /nfs/dbraw/zinc/13/35/43/136133543.db2.gz PYKNVPSUPSWGSK-INIZCTEOSA-N 0 0 350.890 4.156 10 0 FIAERN COc1ccc(CNc2nc(N3CCC[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260751 136143925 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CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000128573720 568041613 /nfs/dbraw/zinc/04/16/13/568041613.db2.gz VTJCSWFDEHCRSB-INIZCTEOSA-N 0 0 373.449 4.235 10 0 FIAERN COc1ccc(Cl)cc1[C@@H](C)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162619724 568041672 /nfs/dbraw/zinc/04/16/72/568041672.db2.gz FQENMCXLOGKUOB-XIKOKIGWSA-N 0 0 356.857 4.215 10 0 FIAERN Cc1nnc([C@H](N[C@H](C)c2ccc(OC(C)C)cc2)c2ccccc2)[nH]1 ZINC000162585667 568043654 /nfs/dbraw/zinc/04/36/54/568043654.db2.gz LTEDUPKQGJDWEV-FOIQADDNSA-N 0 0 350.466 4.341 10 0 FIAERN CSCC[C@H](NC(=O)[C@@H](C)c1cccs1)c1nc2ccccc2[nH]1 ZINC000159340858 568139999 /nfs/dbraw/zinc/13/99/99/568139999.db2.gz NTYUTRKSBRSKCM-WFASDCNBSA-N 0 0 359.520 4.339 10 0 FIAERN Cc1ccc([C@H](C)NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000051677260 568165278 /nfs/dbraw/zinc/16/52/78/568165278.db2.gz LHNGNMGQAFHNII-YJBOKZPZSA-N 0 0 360.429 4.179 10 0 FIAERN CC(C)c1ccc(NC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c(C(C)C)c1 ZINC000408256548 568206516 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205097595 /nfs/dbraw/zinc/09/75/95/205097595.db2.gz NSFNLJZHUGXBKP-UHFFFAOYSA-N 0 0 371.028 4.170 10 0 FIAERN Cc1cccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)n1 ZINC000040685762 205075344 /nfs/dbraw/zinc/07/53/44/205075344.db2.gz NZTWDVVAVHSBIR-UHFFFAOYSA-N 0 0 360.343 4.268 10 0 FIAERN Cc1cccc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)n1 ZINC000040685412 205076261 /nfs/dbraw/zinc/07/62/61/205076261.db2.gz WEJBVNZNFMEWDX-UHFFFAOYSA-N 0 0 358.405 4.155 10 0 FIAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCCCC1 ZINC000040701716 205077327 /nfs/dbraw/zinc/07/73/27/205077327.db2.gz YBDYDZZAMCCRPA-UHFFFAOYSA-N 0 0 351.376 4.202 10 0 FIAERN O=C(COc1ccccc1Br)c1ccccc1Br ZINC000047820373 205148955 /nfs/dbraw/zinc/14/89/55/205148955.db2.gz ZOUVGVJMJSXUDI-UHFFFAOYSA-N 0 0 370.040 4.473 10 0 FIAERN C[C@H](Oc1ccc(I)cc1)C(=O)c1ccc(F)cc1 ZINC000048403734 205163042 /nfs/dbraw/zinc/16/30/42/205163042.db2.gz UEFGUCIUVQJIPE-JTQLQIEISA-N 0 0 370.161 4.081 10 0 FIAERN Fc1ccc(Br)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000048580532 205164377 /nfs/dbraw/zinc/16/43/77/205164377.db2.gz WGPZPVBLUDMFGY-UHFFFAOYSA-N 0 0 371.007 4.289 10 0 FIAERN O=C1/C(=C/c2ccccc2Br)S[C@@H]2Nc3ccccc3N12 ZINC000048513077 205164566 /nfs/dbraw/zinc/16/45/66/205164566.db2.gz JGHJKAQCAASRKF-IHWMJMDHSA-N 0 0 359.248 4.279 10 0 FIAERN O=C(Nc1cccnc1)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000048513986 205164667 /nfs/dbraw/zinc/16/46/67/205164667.db2.gz HTERMRIYFOAFBJ-UHFFFAOYSA-N 0 0 369.783 4.379 10 0 FIAERN Nc1cc(Cl)ccc1COc1ccc(I)cc1 ZINC000050443654 205178367 /nfs/dbraw/zinc/17/83/67/205178367.db2.gz FHUOUOGIGWKOFK-UHFFFAOYSA-N 0 0 359.594 4.106 10 0 FIAERN O=C(Nc1ccc(F)c(F)c1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000056539988 205231371 /nfs/dbraw/zinc/23/13/71/205231371.db2.gz MTLHUXRKBZATBF-CQSZACIVSA-N 0 0 370.758 4.363 10 0 FIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1OC ZINC000057361980 205238502 /nfs/dbraw/zinc/23/85/02/205238502.db2.gz FOWMXTXRWZZBGN-SUMWQHHRSA-N 0 0 374.868 4.132 10 0 FIAERN O=c1c(CN(Cc2ccsc2)C[C@@H]2CCCO2)coc2ccccc21 ZINC000055414615 205218889 /nfs/dbraw/zinc/21/88/89/205218889.db2.gz VVHVWZDWQVXZEL-KRWDZBQOSA-N 0 0 355.459 4.036 10 0 FIAERN Clc1cc(Br)cc(Cl)c1N[C@@H]1CCN(C2CC2)C1 ZINC000061980493 205290850 /nfs/dbraw/zinc/29/08/50/205290850.db2.gz DNKOGZIDAZPZRI-SECBINFHSA-N 0 0 350.087 4.405 10 0 FIAERN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2C)c1-c1nc(C2CC2)no1 ZINC000065186034 205322978 /nfs/dbraw/zinc/32/29/78/205322978.db2.gz YJAPTOPXHFUDRE-UHFFFAOYSA-N 0 0 368.412 4.119 10 0 FIAERN CCOc1ccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc32)cc1 ZINC000065250582 205329386 /nfs/dbraw/zinc/32/93/86/205329386.db2.gz XGFGIWRZIXFNCS-UHFFFAOYSA-N 0 0 361.405 4.439 10 0 FIAERN Cc1ccccc1NC(=O)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272874 205332308 /nfs/dbraw/zinc/33/23/08/205332308.db2.gz YTYPIYSWVPLRRQ-OAHLLOKOSA-N 0 0 368.502 4.036 10 0 FIAERN CCCCN1Cc2sc(NC(=O)Nc3ccccc3Cl)nc2C1=O ZINC000065273996 205332645 /nfs/dbraw/zinc/33/26/45/205332645.db2.gz KBFOQGGXXWGTCH-UHFFFAOYSA-N 0 0 364.858 4.196 10 0 FIAERN Cc1c2cccc(C)c2oc1-c1noc(C(=O)N2CCc3ccccc3C2)n1 ZINC000065010028 205314573 /nfs/dbraw/zinc/31/45/73/205314573.db2.gz ARTFNBWHMSZJIO-UHFFFAOYSA-N 0 0 373.412 4.298 10 0 FIAERN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)CC(C)C)C3)n2)c1 ZINC000065147994 205319046 /nfs/dbraw/zinc/31/90/46/205319046.db2.gz NHKBLCBBBKRPKC-KRWDZBQOSA-N 0 0 352.482 4.281 10 0 FIAERN CCc1nn2cc3c(nc2c1-c1ccc(Br)cc1)CCCC3=O ZINC000072464062 205557303 /nfs/dbraw/zinc/55/73/03/205557303.db2.gz AJFRPEOOTPDZPC-UHFFFAOYSA-N 0 0 370.250 4.240 10 0 FIAERN COCc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)CC(C)(C)CC3=O ZINC000072464066 205557477 /nfs/dbraw/zinc/55/74/77/205557477.db2.gz WVOHPHOOIBSFFG-UHFFFAOYSA-N 0 0 369.852 4.351 10 0 FIAERN FC(F)(F)c1nc2cccnc2n1Cc1ccc(Br)cc1 ZINC000095076872 205721036 /nfs/dbraw/zinc/72/10/36/205721036.db2.gz OCCJPRMUBCMODL-UHFFFAOYSA-N 0 0 356.145 4.261 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOCc2ccc(Cl)nc2)C1 ZINC000095085197 205722636 /nfs/dbraw/zinc/72/26/36/205722636.db2.gz GANKLSVQMGPVDY-AWEZNQCLSA-N 0 0 354.878 4.289 10 0 FIAERN O=C(Cc1c(F)cccc1F)Nc1cc(OCc2ccc(F)cc2)ccn1 ZINC000095591023 205792061 /nfs/dbraw/zinc/79/20/61/205792061.db2.gz JDMUOKWBBLYUGO-UHFFFAOYSA-N 0 0 372.346 4.259 10 0 FIAERN Nc1ccc(Br)cc1C(=O)Nc1ccccc1Br ZINC000123666469 206115036 /nfs/dbraw/zinc/11/50/36/206115036.db2.gz AOYXDZXEXABHRX-UHFFFAOYSA-N 0 0 370.044 4.046 10 0 FIAERN O=C(NCCc1c[nH]c2ccccc12)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000135650010 206127167 /nfs/dbraw/zinc/12/71/67/206127167.db2.gz NGUNXVXGQQWQGN-UHFFFAOYSA-N 0 0 370.412 4.277 10 0 FIAERN CCc1c(Cn2ccnc2-c2cc(F)ccc2F)nc2ccc(F)cn21 ZINC000142676419 206138363 /nfs/dbraw/zinc/13/83/63/206138363.db2.gz IOYOBVWWXHGPSB-UHFFFAOYSA-N 0 0 356.351 4.226 10 0 FIAERN COc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccoc4)c3c2)c(OC)c1 ZINC000137486703 206133703 /nfs/dbraw/zinc/13/37/03/206133703.db2.gz OITMUIUCHCWLRY-UHFFFAOYSA-N 0 0 363.373 4.092 10 0 FIAERN Cc1c(Cn2ccnc2-c2cc(F)ccc2F)nc2ccc(Cl)cn12 ZINC000142674876 206137426 /nfs/dbraw/zinc/13/74/26/206137426.db2.gz BBXLVDSWNJKULU-UHFFFAOYSA-N 0 0 358.779 4.486 10 0 FIAERN Nc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(Cl)cn1 ZINC000200137109 206335583 /nfs/dbraw/zinc/33/55/83/206335583.db2.gz VFKALQYOCHDXGS-UHFFFAOYSA-N 0 0 366.602 4.078 10 0 FIAERN NC(=S)Nc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000217033938 206362003 /nfs/dbraw/zinc/36/20/03/206362003.db2.gz JYCOBAWVGIJRLR-UHFFFAOYSA-N 0 0 367.183 4.125 10 0 FIAERN Cc1cc(Br)ccc1C(=O)N1CCSc2ccc(N)cc21 ZINC000038051291 136118539 /nfs/dbraw/zinc/11/85/39/136118539.db2.gz OPPWZRFDTLXLID-UHFFFAOYSA-N 0 0 363.280 4.092 10 0 FIAERN O=C(c1cnc2c(cccc2C(F)(F)F)c1O)N1CCCc2ccccc21 ZINC000040177005 136119545 /nfs/dbraw/zinc/11/95/45/136119545.db2.gz ZKICGLQDXRYZLX-UHFFFAOYSA-N 0 0 372.346 4.140 10 0 FIAERN Cc1ccc2c(c1)OC[C@@H](CC(=O)N1CCCCC1)N2Cc1ccccc1 ZINC000064663646 136133644 /nfs/dbraw/zinc/13/36/44/136133644.db2.gz HVAUETDIMLVTMP-HXUWFJFHSA-N 0 0 364.489 4.165 10 0 FIAERN Cc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260684 136143936 /nfs/dbraw/zinc/14/39/36/136143936.db2.gz KPOPKAVVSAMNFG-IRXDYDNUSA-N 0 0 362.477 4.164 10 0 FIAERN c1cc(CN2CCc3onc(-c4ccccc4)c3C2)n(-c2nccs2)c1 ZINC000020167406 263378862 /nfs/dbraw/zinc/37/88/62/263378862.db2.gz UWIZDNTWVRQWLQ-UHFFFAOYSA-N 0 0 362.458 4.147 10 0 FIAERN CC(C)c1ccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)cc1 ZINC000040706139 535372779 /nfs/dbraw/zinc/37/27/79/535372779.db2.gz DYOQKNOBEZNUMA-UHFFFAOYSA-N 0 0 359.477 4.489 10 0 FIAERN CC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc2c(c1)CCO2 ZINC000188607991 567987676 /nfs/dbraw/zinc/98/76/76/567987676.db2.gz KWMKHPSBKOSPID-FQEVSTJZSA-N 0 0 374.488 4.313 10 0 FIAERN C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@@H](C)O1 ZINC000186908444 568012285 /nfs/dbraw/zinc/01/22/85/568012285.db2.gz VLVDGICWOFSXIQ-VXGBXAGGSA-N 0 0 369.339 4.095 10 0 FIAERN Cc1nnc([C@@H](N[C@@H](C)c2cccc(OC(F)F)c2)c2ccccc2)[nH]1 ZINC000162533810 568028650 /nfs/dbraw/zinc/02/86/50/568028650.db2.gz DDXPKEHRKXXYOT-SJCJKPOMSA-N 0 0 358.392 4.155 10 0 FIAERN CCc1nc(C2(NC(=O)Nc3cccc(C(C)(F)F)c3)CCCC2)no1 ZINC000186986115 568037074 /nfs/dbraw/zinc/03/70/74/568037074.db2.gz GSBPTVASIMNJFO-UHFFFAOYSA-N 0 0 364.396 4.335 10 0 FIAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)n1 ZINC000408232508 568104820 /nfs/dbraw/zinc/10/48/20/568104820.db2.gz UGTNSGSPJCMBPT-ZDUSSCGKSA-N 0 0 359.495 4.153 10 0 FIAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@H]2CCC[C@H]21 ZINC000330294891 568140100 /nfs/dbraw/zinc/14/01/00/568140100.db2.gz FJYKBQNJNHJFFI-GDBMZVCRSA-N 0 0 364.474 4.010 10 0 FIAERN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408257791 568207319 /nfs/dbraw/zinc/20/73/19/568207319.db2.gz SEZMYTFUDHTYSB-OAQYLSRUSA-N 0 0 357.498 4.067 10 0 FIAERN CC(C)c1nc(C(=O)N2CC[C@@H]3CCC[C@@H]32)nn1-c1ccccc1Cl ZINC000330312687 568233847 /nfs/dbraw/zinc/23/38/47/568233847.db2.gz OJTFRCSNKIPYLW-ZFWWWQNUSA-N 0 0 358.873 4.059 10 0 FIAERN O=C(Nc1ccc(Cl)cc1F)C1CCN(C(=O)c2cccs2)CC1 ZINC000005241740 568383217 /nfs/dbraw/zinc/38/32/17/568383217.db2.gz BOCPWQROFLLWMC-UHFFFAOYSA-N 0 0 366.845 4.032 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000098181465 570497621 /nfs/dbraw/zinc/49/76/21/570497621.db2.gz WZNNGGKYIAUAKS-CQSZACIVSA-N 0 0 368.271 4.421 10 0 FIAERN COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C ZINC000138190632 570513391 /nfs/dbraw/zinc/51/33/91/570513391.db2.gz OSVQFBUNCMAMER-IBGZPJMESA-N 0 0 354.402 4.322 10 0 biogenic FIAERN CC(=O)Nc1ccccc1-c1nc(CNC(=O)CCC2CCCC2)c(C)o1 ZINC000011881153 570598377 /nfs/dbraw/zinc/59/83/77/570598377.db2.gz DRZWGCNDBBVSKA-UHFFFAOYSA-N 0 0 369.465 4.195 10 0 FIAERN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CC(=O)N1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000012504571 570749131 /nfs/dbraw/zinc/74/91/31/570749131.db2.gz PLSBRAXMGCXQDL-XFDIAKHOSA-N 0 0 374.569 4.231 10 0 FIAERN O=C(Nc1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1 ZINC000065181245 570817844 /nfs/dbraw/zinc/81/78/44/570817844.db2.gz KBLTUQFEBBYHPF-UHFFFAOYSA-N 0 0 359.857 4.448 10 0 FIAERN CCOC(=O)c1cc(-c2ccc(Br)cc2)[nH]c1N1CCCC1 ZINC000068561642 571153152 /nfs/dbraw/zinc/15/31/52/571153152.db2.gz WGRSVOWGSACHJJ-UHFFFAOYSA-N 0 0 363.255 4.221 10 0 FIAERN COc1ccc(Oc2ccc(-c3cccc(C(=O)NC(C)C)c3)nn2)cc1 ZINC000033130969 571157783 /nfs/dbraw/zinc/15/77/83/571157783.db2.gz GEYUWARFZNZDNJ-UHFFFAOYSA-N 0 0 363.417 4.083 10 0 FIAERN CCn1c2ccccc2c2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000033308524 571232149 /nfs/dbraw/zinc/23/21/49/571232149.db2.gz HPHCYUXMDOPOEQ-UHFFFAOYSA-N 0 0 362.473 4.187 10 0 FIAERN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCCc1ccncc1 ZINC000048545283 571308933 /nfs/dbraw/zinc/30/89/33/571308933.db2.gz MKHIWXIDQSAWKQ-SOFGYWHQSA-N 0 0 352.821 4.367 10 0 FIAERN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccncc1 ZINC000027533757 571312977 /nfs/dbraw/zinc/31/29/77/571312977.db2.gz QSVRXBUXYCPJMD-NTUHNPAUSA-N 0 0 350.230 4.280 10 0 FIAERN COc1ccc(CN2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)cn1 ZINC000328603346 571323731 /nfs/dbraw/zinc/32/37/31/571323731.db2.gz FTJOEIUGLZCTKM-KRWDZBQOSA-N 0 0 368.412 4.007 10 0 FIAERN Cc1ncsc1CN1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000328606092 571323965 /nfs/dbraw/zinc/32/39/65/571323965.db2.gz QKZLJFDOOBGDBJ-HNNXBMFYSA-N 0 0 358.442 4.368 10 0 FIAERN Cc1noc(C)c1CN1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000328605974 571324024 /nfs/dbraw/zinc/32/40/24/571324024.db2.gz PYMQYLJSWSRLHV-KRWDZBQOSA-N 0 0 356.401 4.208 10 0 FIAERN CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116781973 1079579412 /nfs/dbraw/zinc/57/94/12/1079579412.db2.gz QLMALPZAZATQMP-VQTJNVASSA-N 0 0 360.546 4.130 10 0 FIAERN O=[S@@](Cc1noc(-c2ccsc2)n1)c1nc(-c2ccccc2)cs1 ZINC000107984477 1079585396 /nfs/dbraw/zinc/58/53/96/1079585396.db2.gz PYEIPBKHVLBBQZ-XMMPIXPASA-N 0 0 373.484 4.229 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc4ccccc43)C2)c1 ZINC000111801367 1079900085 /nfs/dbraw/zinc/90/00/85/1079900085.db2.gz DVUXXDPFSMQBCJ-PKOBYXMFSA-N 0 0 362.477 4.452 10 0 FIAERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113886218 1081439380 /nfs/dbraw/zinc/43/93/80/1081439380.db2.gz XWIIXFRFOLRNIO-INIZCTEOSA-N 0 0 370.453 4.348 10 0 FIAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893440 1081442575 /nfs/dbraw/zinc/44/25/75/1081442575.db2.gz AOOPCLFFLJVKBT-INIZCTEOSA-N 0 0 352.463 4.209 10 0 FIAERN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3nccs3)on2)cc1 ZINC000303629515 1081762352 /nfs/dbraw/zinc/76/23/52/1081762352.db2.gz OLMIOJKMWCJHMV-INIZCTEOSA-N 0 0 353.447 4.474 10 0 FIAERN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3nccs3)on2)cc1 ZINC000303629519 1081762675 /nfs/dbraw/zinc/76/26/75/1081762675.db2.gz OLMIOJKMWCJHMV-MRXNPFEDSA-N 0 0 353.447 4.474 10 0 FIAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)CCC3CCCCC3)C2)no1 ZINC000115848324 1081795621 /nfs/dbraw/zinc/79/56/21/1081795621.db2.gz UIYHCZUQBAIEEJ-QAPCUYQASA-N 0 0 362.518 4.091 10 0 FIAERN Clc1cc(-c2ccc(I)cc2)nc(C2CC2)n1 ZINC000409428318 1082352136 /nfs/dbraw/zinc/35/21/36/1082352136.db2.gz DQQOJXGJJNLNKP-UHFFFAOYSA-N 0 0 356.594 4.279 10 0 FIAERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000328832815 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Cc1cc(C)cc(NC(=O)c2cnc3cc(C(F)(F)F)ccc3c2O)c1 ZINC000041055834 205087236 /nfs/dbraw/zinc/08/72/36/205087236.db2.gz NWBLZKWAQJCZLG-UHFFFAOYSA-N 0 0 360.335 4.416 10 0 FIAERN CCOC(=O)c1cc(Cl)c(NC(=O)/C=C/c2ccc(C)cc2)cc1OC ZINC000041012748 205088017 /nfs/dbraw/zinc/08/80/17/205088017.db2.gz QKILFLNIZMGMPZ-MDZDMXLPSA-N 0 0 373.836 4.486 10 0 FIAERN COc1ccc(Cl)c2c(Br)c(Br)cnc12 ZINC000041702147 205091913 /nfs/dbraw/zinc/09/19/13/205091913.db2.gz UEIUCLKZDSXQQL-UHFFFAOYSA-N 0 0 351.425 4.422 10 0 FIAERN O[C@@H]1CCCCC[C@@H]1Nc1cc(Br)ccc1Br ZINC000042578037 205097478 /nfs/dbraw/zinc/09/74/78/205097478.db2.gz MWPRMTDHLIOQNM-WCQYABFASA-N 0 0 363.093 4.317 10 0 FIAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1-n1cnc2ccccc21 ZINC000040687929 205075973 /nfs/dbraw/zinc/07/59/73/205075973.db2.gz VIPYSYHQHQBFAE-UHFFFAOYSA-N 0 0 353.385 4.343 10 0 FIAERN Cc1cccc(Nc2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)n1 ZINC000040685560 205076218 /nfs/dbraw/zinc/07/62/18/205076218.db2.gz BNYNDBCFZCNFGP-UHFFFAOYSA-N 0 0 360.343 4.268 10 0 FIAERN Cc1cc(Nc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)no1 ZINC000040680814 205076348 /nfs/dbraw/zinc/07/63/48/205076348.db2.gz OQRIDIWDOCCROH-UHFFFAOYSA-N 0 0 351.197 4.149 10 0 FIAERN Nc1c(Nc2ccccc2Br)ncnc1NC1CCCCC1 ZINC000040708573 205077663 /nfs/dbraw/zinc/07/76/63/205077663.db2.gz ZLVKKWWNGHYJBO-UHFFFAOYSA-N 0 0 362.275 4.310 10 0 FIAERN Cc1ccnc(Nc2ncnc(Nc3ccccc3Br)c2N)c1 ZINC000040701350 205077980 /nfs/dbraw/zinc/07/79/80/205077980.db2.gz WZZZRKNIUDCSSG-UHFFFAOYSA-N 0 0 371.242 4.012 10 0 FIAERN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(Cl)c1 ZINC000043182953 205101600 /nfs/dbraw/zinc/10/16/00/205101600.db2.gz NTCPJYPEXVDXGB-SCLBCKFNSA-N 0 0 362.832 4.323 10 0 FIAERN O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000046325376 205136329 /nfs/dbraw/zinc/13/63/29/205136329.db2.gz GEORUOVOICOHLD-NRFANRHFSA-N 0 0 370.456 4.260 10 0 FIAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000047133362 205142605 /nfs/dbraw/zinc/14/26/05/205142605.db2.gz GFSVXYXVVMYTAD-UHFFFAOYSA-N 0 0 351.406 4.393 10 0 FIAERN CCN(CC)S(=O)(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000047162555 205142723 /nfs/dbraw/zinc/14/27/23/205142723.db2.gz ATRFUTYJPHLYEF-UHFFFAOYSA-N 0 0 356.447 4.039 10 0 FIAERN COc1ccc(-c2nonc2NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000047133310 205143463 /nfs/dbraw/zinc/14/34/63/205143463.db2.gz TVIQZVHCROORRB-UHFFFAOYSA-N 0 0 367.449 4.209 10 0 FIAERN O=C(COc1ccc(I)cc1)c1ccccc1Cl ZINC000048403696 205162956 /nfs/dbraw/zinc/16/29/56/205162956.db2.gz KOEPSXSGQWIGMG-UHFFFAOYSA-N 0 0 372.589 4.206 10 0 FIAERN Brc1cnc2[nH]c(-c3ccccc3Br)nc2c1 ZINC000048580511 205164865 /nfs/dbraw/zinc/16/48/65/205164865.db2.gz HEVHGDRFCNWMLH-UHFFFAOYSA-N 0 0 353.017 4.150 10 0 FIAERN O=C(Nc1cc(C(=O)Nc2cccnc2)ccc1Cl)c1ccc(F)cc1 ZINC000048513995 205164927 /nfs/dbraw/zinc/16/49/27/205164927.db2.gz IWHIXGPRNLVTGH-UHFFFAOYSA-N 0 0 369.783 4.379 10 0 FIAERN CN(Cc1csc(Br)c1)c1nc2c(s1)C(=O)CCC2 ZINC000054863470 205203156 /nfs/dbraw/zinc/20/31/56/205203156.db2.gz SLNBFUHDRBINJO-UHFFFAOYSA-N 0 0 357.298 4.123 10 0 FIAERN CCn1cc(CN(Cc2cnc(-c3cccc(C)c3)nc2)CC(C)C)cn1 ZINC000055167542 205210502 /nfs/dbraw/zinc/21/05/02/205210502.db2.gz ZCBYCQYEOPEVRT-UHFFFAOYSA-N 0 0 363.509 4.327 10 0 FIAERN Nc1nc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cs1 ZINC000055185316 205210616 /nfs/dbraw/zinc/21/06/16/205210616.db2.gz JWKNVUMOZZCEMR-UHFFFAOYSA-N 0 0 367.055 4.047 10 0 FIAERN CC[C@H]1c2cccn2CCN1C(=O)c1cccc(NCc2cccnc2)c1C ZINC000055271495 205212679 /nfs/dbraw/zinc/21/26/79/205212679.db2.gz BGDUTFBMPVZYRF-NRFANRHFSA-N 0 0 374.488 4.411 10 0 FIAERN Cc1ccc(Sc2nn(C)c(N)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000053994223 205196363 /nfs/dbraw/zinc/19/63/63/205196363.db2.gz TUVXSROXAVPMOG-UHFFFAOYSA-N 0 0 372.881 4.368 10 0 FIAERN COc1ccc([C@H]([NH2+]Cc2ccccc2)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000053995128 205197264 /nfs/dbraw/zinc/19/72/64/205197264.db2.gz NTADNKNSCSRGLL-VXKWHMMOSA-N 0 0 361.441 4.395 10 0 FIAERN CN(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000056857787 205232657 /nfs/dbraw/zinc/23/26/57/205232657.db2.gz PRRPPHBGYZABGL-OAHLLOKOSA-N 0 0 355.438 4.264 10 0 FIAERN O[C@H](Cc1ccc(Cl)cc1)c1ccccc1I ZINC000062140599 205290677 /nfs/dbraw/zinc/29/06/77/205290677.db2.gz IEOOGRGSOKZCNV-CQSZACIVSA-N 0 0 358.606 4.221 10 0 FIAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccccc1I ZINC000062140602 205291666 /nfs/dbraw/zinc/29/16/66/205291666.db2.gz IEOOGRGSOKZCNV-AWEZNQCLSA-N 0 0 358.606 4.221 10 0 FIAERN CCCNC(=O)c1ncoc1-c1ccccc1C(=O)Nc1ccc(C)cc1 ZINC000065080170 205317228 /nfs/dbraw/zinc/31/72/28/205317228.db2.gz VWPVYHNSKUKTSR-UHFFFAOYSA-N 0 0 363.417 4.042 10 0 FIAERN CCOc1ccc(CNC(=O)c2ccnc(-c3ccsc3)c2)cc1OC ZINC000065063163 205317261 /nfs/dbraw/zinc/31/72/61/205317261.db2.gz CFPKOOORNPECFY-UHFFFAOYSA-N 0 0 368.458 4.147 10 0 FIAERN C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1cccc(C(F)(F)F)c1 ZINC000066298475 205366108 /nfs/dbraw/zinc/36/61/08/205366108.db2.gz URFVVBGINUEDQV-FTJNGKRUSA-N 0 0 373.371 4.120 10 0 FIAERN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1ccccc1 ZINC000067260721 205368484 /nfs/dbraw/zinc/36/84/84/205368484.db2.gz OXIBCOCHIQPEMZ-UHFFFAOYSA-N 0 0 351.409 4.365 10 0 FIAERN COc1cc(-n2ccnc2-c2ccnc3ccccc32)cc(OC)c1OC ZINC000067739671 205386984 /nfs/dbraw/zinc/38/69/84/205386984.db2.gz UAOLIEQSPOOUFV-UHFFFAOYSA-N 0 0 361.401 4.113 10 0 FIAERN O=c1[nH]c(NCc2ccccc2)nc2nccc(-c3ccc(Cl)cc3)c12 ZINC000072440630 205550988 /nfs/dbraw/zinc/55/09/88/205550988.db2.gz SYIISIFJYPSULT-UHFFFAOYSA-N 0 0 362.820 4.251 10 0 FIAERN COc1ccc(NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)cc1 ZINC000072450688 205555033 /nfs/dbraw/zinc/55/50/33/205555033.db2.gz REMFJQNNNSDMLW-UHFFFAOYSA-N 0 0 370.408 4.456 10 0 FIAERN COc1cc(OCc2ccccc2)ccc1OCCNC(=O)OC(C)(C)C ZINC000077285124 205584185 /nfs/dbraw/zinc/58/41/85/205584185.db2.gz JYSMAJTWRPWLBE-UHFFFAOYSA-N 0 0 373.449 4.178 10 0 in-vitro FIAERN CCOC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000096028655 205805268 /nfs/dbraw/zinc/80/52/68/205805268.db2.gz ZUZDLCHHRGAPEJ-ZIAGYGMSSA-N 0 0 353.344 4.029 10 0 FIAERN CCOc1cc(Nc2ccccc2I)ccc1N ZINC000104250614 205999220 /nfs/dbraw/zinc/99/92/20/205999220.db2.gz OUTVDZFZNSAVRS-UHFFFAOYSA-N 0 0 354.191 4.016 10 0 FIAERN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000105873441 206009629 /nfs/dbraw/zinc/00/96/29/206009629.db2.gz MWHLNLHZKRWQMW-MOPGFXCFSA-N 0 0 356.510 4.144 10 0 FIAERN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1Br ZINC000008088530 206246724 /nfs/dbraw/zinc/24/67/24/206246724.db2.gz USRNEMBLLAWROQ-GFCCVEGCSA-N 0 0 357.251 4.350 10 0 FIAERN Nc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000020335990 206330025 /nfs/dbraw/zinc/33/00/25/206330025.db2.gz FVQJDHXBLGJTLW-UHFFFAOYSA-N 0 0 359.838 4.063 10 0 FIAERN CC(C)(C)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000196868752 206336005 /nfs/dbraw/zinc/33/60/05/206336005.db2.gz RHMVCTDYUDFARL-GHRIWEEISA-N 0 0 356.853 4.026 10 0 FIAERN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072464967 136148854 /nfs/dbraw/zinc/14/88/54/136148854.db2.gz RCOQSSCSBJHUSJ-UHFFFAOYSA-N 0 0 364.371 4.046 10 0 FIAERN O=C(c1ccccc1Cl)N1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000072470948 136149066 /nfs/dbraw/zinc/14/90/66/136149066.db2.gz FUPZSBLRVGQGQJ-UHFFFAOYSA-N 0 0 369.829 4.465 10 0 FIAERN CC(C)(C(N)=O)c1ccc(NC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000408214995 567824449 /nfs/dbraw/zinc/82/44/49/567824449.db2.gz NNOOUAYPUAFLLW-UHFFFAOYSA-N 0 0 357.498 4.028 10 0 FIAERN CC(C)c1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)s1 ZINC000186162122 567889226 /nfs/dbraw/zinc/88/92/26/567889226.db2.gz ZPIMTXFBKTWVAC-HNNXBMFYSA-N 0 0 372.538 4.209 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000162637411 567999198 /nfs/dbraw/zinc/99/91/98/567999198.db2.gz GZKATJPNQAUVLJ-VXKWHMMOSA-N 0 0 373.500 4.158 10 0 FIAERN Cc1nnc([C@H](N[C@@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000162463401 568023561 /nfs/dbraw/zinc/02/35/61/568023561.db2.gz KQZBRYXTPCBZRA-SJLPKXTDSA-N 0 0 354.454 4.168 10 0 FIAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cc1 ZINC000330265025 568033662 /nfs/dbraw/zinc/03/36/62/568033662.db2.gz YQZACRQBWNNBOB-JTDSTZFVSA-N 0 0 355.482 4.108 10 0 FIAERN COCc1cccc(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000188649442 568045215 /nfs/dbraw/zinc/04/52/15/568045215.db2.gz PUQNVCUZFWCTMW-FQEVSTJZSA-N 0 0 365.473 4.328 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H](C)NC(=O)C2CCCCC2)o1 ZINC000128583434 568061165 /nfs/dbraw/zinc/06/11/65/568061165.db2.gz FKWGQCBFTZGTHF-QFBILLFUSA-N 0 0 374.525 4.371 10 0 FIAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1Br ZINC000021008638 568070607 /nfs/dbraw/zinc/07/06/07/568070607.db2.gz KCMMPCIPCFADTH-LLVKDONJSA-N 0 0 354.269 4.026 10 0 FIAERN CC(C)c1nc(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1ccccc1Cl ZINC000330312686 568233849 /nfs/dbraw/zinc/23/38/49/568233849.db2.gz OJTFRCSNKIPYLW-UKRRQHHQSA-N 0 0 358.873 4.059 10 0 FIAERN Cc1cccc(CSCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000016308347 568253786 /nfs/dbraw/zinc/25/37/86/568253786.db2.gz VFCWXWFWTLEGIL-LJQANCHMSA-N 0 0 365.502 4.468 10 0 FIAERN C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CC1 ZINC000025772982 568287290 /nfs/dbraw/zinc/28/72/90/568287290.db2.gz NCYYDBBREDZBDW-GFCCVEGCSA-N 0 0 372.262 4.208 10 0 FIAERN Cc1nn(C)c(C)c1[C@H](C)Nc1nncc(-c2cccc3ccccc32)n1 ZINC000014976748 568360382 /nfs/dbraw/zinc/36/03/82/568360382.db2.gz FJMZLOOKTVLXQA-ZDUSSCGKSA-N 0 0 358.449 4.215 10 0 FIAERN CSCC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000032614244 568397897 /nfs/dbraw/zinc/39/78/97/568397897.db2.gz BAEUXFYMFSCVKF-OAHLLOKOSA-N 0 0 371.531 4.337 10 0 FIAERN CCN(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)C1CCCCC1 ZINC000096210549 570479027 /nfs/dbraw/zinc/47/90/27/570479027.db2.gz SHNCRCULNJOAKI-UHFFFAOYSA-N 0 0 370.472 4.144 10 0 FIAERN Cc1nc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000023369388 570538779 /nfs/dbraw/zinc/53/87/79/570538779.db2.gz PYJLJSRVOMJZBX-KRWDZBQOSA-N 0 0 373.500 4.320 10 0 FIAERN Cc1nc(C)c(CN[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc1C ZINC000012583516 570751919 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CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](c1ccccc1)C1CCC1)C2 ZINC000112748925 1080551334 /nfs/dbraw/zinc/55/13/34/1080551334.db2.gz VZXFCOVHBFASTJ-FQEVSTJZSA-N 0 0 366.509 4.153 10 0 FIAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000246319100 1080560791 /nfs/dbraw/zinc/56/07/91/1080560791.db2.gz CXZXUQSJVGVEFQ-HHXXYDBFSA-N 0 0 355.482 4.108 10 0 FIAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCCC[C@H]1c1nccs1 ZINC000176298453 1081094251 /nfs/dbraw/zinc/09/42/51/1081094251.db2.gz IHXJZQZDJUKZQZ-CVEARBPZSA-N 0 0 357.479 4.294 10 0 FIAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895121 1081442752 /nfs/dbraw/zinc/44/27/52/1081442752.db2.gz XOCCMEAQWIKFMN-CYBMUJFWSA-N 0 0 358.492 4.271 10 0 FIAERN Cc1nc2ccc(NC(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)cc2s1 ZINC000114566319 1081599696 /nfs/dbraw/zinc/59/96/96/1081599696.db2.gz XKBTXKBHUADPHN-MRXNPFEDSA-N 0 0 369.494 4.324 10 0 FIAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)C2)no1 ZINC000328918580 1083133296 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/nfs/dbraw/zinc/27/61/91/208276191.db2.gz BSDFKGFCOYOBBS-UHFFFAOYSA-N 0 0 352.203 4.168 10 0 FIAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000040276556 208245429 /nfs/dbraw/zinc/24/54/29/208245429.db2.gz LUCLMFOGMNQCDJ-UHFFFAOYSA-N 0 0 355.441 4.323 10 0 FIAERN CCC(=O)NCc1nc2ccccc2n1CCCOc1ccc(C)cc1C ZINC000040274471 208245509 /nfs/dbraw/zinc/24/55/09/208245509.db2.gz BQMHPAJRKVLCJP-UHFFFAOYSA-N 0 0 365.477 4.148 10 0 FIAERN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)ns1)c1ccccc1F ZINC000040323637 208247463 /nfs/dbraw/zinc/24/74/63/208247463.db2.gz OLSOJKFNWIYHDA-UHFFFAOYSA-N 0 0 365.336 4.198 10 0 FIAERN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccnc1 ZINC000040384047 208249687 /nfs/dbraw/zinc/24/96/87/208249687.db2.gz CHTAHOBDUARRDO-UHFFFAOYSA-N 0 0 363.255 4.159 10 0 FIAERN Cc1cccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)n1 ZINC000040685252 208260946 /nfs/dbraw/zinc/26/09/46/208260946.db2.gz GHZMZZXKOZYJDO-UHFFFAOYSA-N 0 0 360.343 4.268 10 0 FIAERN Nc1c(Nc2cccc3cccnc32)ncnc1N1CCc2ccccc21 ZINC000040687338 208261682 /nfs/dbraw/zinc/26/16/82/208261682.db2.gz QEHGOKSZDHHEMY-UHFFFAOYSA-N 0 0 354.417 4.045 10 0 FIAERN Cc1ccc(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1Cl ZINC000040703926 208264279 /nfs/dbraw/zinc/26/42/79/208264279.db2.gz NANZSELDHSPVAM-UHFFFAOYSA-N 0 0 350.813 4.103 10 0 FIAERN Cc1ccc2nc(Nc3ncnc(N4CCCCCC4)c3N)sc2c1 ZINC000040725547 208265427 /nfs/dbraw/zinc/26/54/27/208265427.db2.gz APRDQNRWBFPNPI-UHFFFAOYSA-N 0 0 354.483 4.101 10 0 FIAERN Cc1cc(C)n(-c2ncnc(NN(c3ccccc3)c3ccccc3)c2N)n1 ZINC000040778099 208267205 /nfs/dbraw/zinc/26/72/05/208267205.db2.gz FCSMXWPNNGZRTI-UHFFFAOYSA-N 0 0 371.448 4.027 10 0 FIAERN Cc1ccc(CNc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752159 208267391 /nfs/dbraw/zinc/26/73/91/208267391.db2.gz FOYKYKGOHFTHBM-UHFFFAOYSA-N 0 0 357.417 4.320 10 0 FIAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Oc1cccc2cccnc21 ZINC000040752217 208267597 /nfs/dbraw/zinc/26/75/97/208267597.db2.gz VIINJDQFXWCACM-UHFFFAOYSA-N 0 0 365.343 4.421 10 0 FIAERN Cc1cccnc1Nc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040758253 208267846 /nfs/dbraw/zinc/26/78/46/208267846.db2.gz SFQVRUMTDNGPEJ-UHFFFAOYSA-N 0 0 360.446 4.205 10 0 FIAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1cc(F)ccc1F ZINC000040761169 208269051 /nfs/dbraw/zinc/26/90/51/208269051.db2.gz KYNLUJSKHWMMQF-UHFFFAOYSA-N 0 0 370.388 4.434 10 0 FIAERN Cc1cc(C)n(-c2ncnc(NC(c3ccccc3)c3ccccc3)c2N)n1 ZINC000040783742 208269830 /nfs/dbraw/zinc/26/98/30/208269830.db2.gz CWZZHLZCROQHPT-UHFFFAOYSA-N 0 0 370.460 4.063 10 0 FIAERN Cc1c(C(=O)Nc2nc(C)cc(C)n2)sc2nc(-c3ccccc3)cn12 ZINC000040827988 208270269 /nfs/dbraw/zinc/27/02/69/208270269.db2.gz GYCFXANJMJFILW-UHFFFAOYSA-N 0 0 363.446 4.030 10 0 FIAERN COc1ccc(Cl)c2ncc(Br)c(Br)c12 ZINC000041702159 208286237 /nfs/dbraw/zinc/28/62/37/208286237.db2.gz JNZHMZUQLSEBLP-UHFFFAOYSA-N 0 0 351.425 4.422 10 0 FIAERN CC(=O)NCCCCCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000042049852 208288072 /nfs/dbraw/zinc/28/80/72/208288072.db2.gz RZEKVTQTFSWSQP-QGZVFWFLSA-N 0 0 352.478 4.227 10 0 FIAERN Cc1c(CC(=O)[O-])c2ccccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000045260788 208329758 /nfs/dbraw/zinc/32/97/58/208329758.db2.gz VBPQQBGACUQLOG-UHFFFAOYSA-N 0 0 362.473 4.414 10 0 FIAERN O=C(COc1cccc(Br)c1)c1cccc(Br)c1 ZINC000048102653 208388253 /nfs/dbraw/zinc/38/82/53/208388253.db2.gz SNFLCQWHEOVPJR-UHFFFAOYSA-N 0 0 370.040 4.473 10 0 FIAERN C[C@@H](O)Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000062771424 208604027 /nfs/dbraw/zinc/60/40/27/208604027.db2.gz LJMNIVKPNXCRPT-MRVPVSSYSA-N 0 0 360.045 4.395 10 0 FIAERN Cc1ccc2c(C(=O)N3CCCC[C@@H]3C)cc(-c3cncnc3)nc2c1C ZINC000063856442 208608994 /nfs/dbraw/zinc/60/89/94/208608994.db2.gz XETBRKIFQZPCGT-HNNXBMFYSA-N 0 0 360.461 4.323 10 0 FIAERN Cc1cccc(Nc2nccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 ZINC000065147998 208635017 /nfs/dbraw/zinc/63/50/17/208635017.db2.gz FBMUGSXBFGWDCU-GOSISDBHSA-N 0 0 364.493 4.425 10 0 FIAERN O=c1[nH]c(NC2CCCC2)nc2nccc(-c3ccc4ccccc4c3)c21 ZINC000072440247 208865032 /nfs/dbraw/zinc/86/50/32/208865032.db2.gz GXNHCGJKLUKZOT-UHFFFAOYSA-N 0 0 356.429 4.493 10 0 FIAERN O=C(Nc1ccnc2n[nH]cc21)c1ccccc1OCC1CCCCC1 ZINC000089224780 208965407 /nfs/dbraw/zinc/96/54/07/208965407.db2.gz KEMJUSULFKNILG-UHFFFAOYSA-N 0 0 350.422 4.169 10 0 FIAERN CCOC(=O)c1cnn2c1N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000096028654 209096414 /nfs/dbraw/zinc/09/64/14/209096414.db2.gz ZUZDLCHHRGAPEJ-UONOGXRCSA-N 0 0 353.344 4.029 10 0 FIAERN OC[C@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000095078499 209018928 /nfs/dbraw/zinc/01/89/28/209018928.db2.gz BWAZFSNRFOHVBC-QGZVFWFLSA-N 0 0 355.869 4.089 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nc2ccccc2nc1Cl ZINC000095085729 209019404 /nfs/dbraw/zinc/01/94/04/209019404.db2.gz QUVWUNCJRGZSOE-GFCCVEGCSA-N 0 0 362.861 4.095 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCc1ccc(Cl)nn1 ZINC000095086314 209019425 /nfs/dbraw/zinc/01/94/25/209019425.db2.gz CVPXLNIAPNCATE-OAHLLOKOSA-N 0 0 369.893 4.216 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ncc(Cl)cn1 ZINC000095086227 209019497 /nfs/dbraw/zinc/01/94/97/209019497.db2.gz BKFMNVVLYGGJNB-AWEZNQCLSA-N 0 0 355.866 4.079 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOCC(=O)c2cccs2)C1 ZINC000095085079 209019845 /nfs/dbraw/zinc/01/98/45/209019845.db2.gz CHPJSEDYFULMMT-HNNXBMFYSA-N 0 0 367.511 4.375 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1ccc(Br)cn1 ZINC000095086582 209019906 /nfs/dbraw/zinc/01/99/06/209019906.db2.gz HINFJEKPPZEGSZ-CYBMUJFWSA-N 0 0 371.275 4.013 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2nc3ccccc3[nH]2)C1 ZINC000095085063 209020461 /nfs/dbraw/zinc/02/04/61/209020461.db2.gz OHDQOWUWUZPFBG-HNNXBMFYSA-N 0 0 359.470 4.369 10 0 FIAERN O=C1C[C@H](c2ccccc2)N(c2cccc(C(F)(F)F)c2)C(=S)N1 ZINC000001042356 132379713 /nfs/dbraw/zinc/37/97/13/132379713.db2.gz RKMXSXWZBZNLPE-CQSZACIVSA-N 0 0 350.365 4.058 10 0 FIAERN O=C(CCSCc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000002944146 132384498 /nfs/dbraw/zinc/38/44/98/132384498.db2.gz LQWQWGWSCPYOPS-UHFFFAOYSA-N 0 0 374.937 4.312 10 0 FIAERN O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000014870584 132875283 /nfs/dbraw/zinc/87/52/83/132875283.db2.gz HCSNWDQFQCVMEX-UHFFFAOYSA-N 0 0 351.233 4.082 10 0 FIAERN Cc1c(Cl)ccc2c(O)c(C(=O)N3CCCc4ccccc43)cnc12 ZINC000040359387 136119710 /nfs/dbraw/zinc/11/97/10/136119710.db2.gz UYUYRCREKYAWLQ-UHFFFAOYSA-N 0 0 352.821 4.083 10 0 FIAERN O=C(NC1CCCCC1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025718 136134626 /nfs/dbraw/zinc/13/46/26/136134626.db2.gz VBKRPUQTNYFEPS-UHFFFAOYSA-N 0 0 364.493 4.196 10 0 FIAERN CCCCCN1CN(c2cccc(C)c2C)c2nc(C)c(C)c(=O)n2C1 ZINC000072442970 136147953 /nfs/dbraw/zinc/14/79/53/136147953.db2.gz PNDJMROUVNINJX-UHFFFAOYSA-N 0 0 354.498 4.036 10 0 FIAERN Cc1cnc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000085333211 526101255 /nfs/dbraw/zinc/10/12/55/526101255.db2.gz UAWVIUGKSKGQKC-LBPRGKRZSA-N 0 0 357.907 4.178 10 0 FIAERN CCc1ccc(N2CN(C3CCCCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000072441974 536185308 /nfs/dbraw/zinc/18/53/08/536185308.db2.gz NYXVKSVTPKQZOU-UHFFFAOYSA-N 0 0 366.509 4.124 10 0 FIAERN CC[C@H](c1ccc(F)cc1)[S@@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000150814277 567933835 /nfs/dbraw/zinc/93/38/35/567933835.db2.gz RVMRKJVWAGYJPF-DFEMTHRHSA-N 0 0 361.482 4.291 10 0 FIAERN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330263293 567965589 /nfs/dbraw/zinc/96/55/89/567965589.db2.gz WIMBAOBYQXJJIV-IUODEOHRSA-N 0 0 364.371 4.297 10 0 FIAERN Cc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188608663 567987785 /nfs/dbraw/zinc/98/77/85/567987785.db2.gz JTLPLPQXDYPSCV-FQEVSTJZSA-N 0 0 374.488 4.449 10 0 FIAERN CCC1(CC)CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000188610549 567988460 /nfs/dbraw/zinc/98/84/60/567988460.db2.gz YCNRVUFGDMEJBE-AZUAARDMSA-N 0 0 356.510 4.025 10 0 FIAERN O=C(CSc1nccc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000162526103 568027841 /nfs/dbraw/zinc/02/78/41/568027841.db2.gz CESGDUKYICATLU-OAHLLOKOSA-N 0 0 369.515 4.190 10 0 FIAERN CCC(CC)n1ncc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1C ZINC000162481960 568029084 /nfs/dbraw/zinc/02/90/84/568029084.db2.gz AIUQPZPZIXUOIT-UHFFFAOYSA-N 0 0 360.527 4.337 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CC[C@@H](C)c3ccccc31)C2 ZINC000153135509 568062392 /nfs/dbraw/zinc/06/23/92/568062392.db2.gz CGNAILDOQUNJDE-QAPCUYQASA-N 0 0 366.509 4.250 10 0 FIAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121562017 568094710 /nfs/dbraw/zinc/09/47/10/568094710.db2.gz MOAZRKIDELWXTP-ADLMAVQZSA-N 0 0 367.276 4.242 10 0 FIAERN Cc1ccc2oc(N3CCN(Cc4coc(-c5ccccc5)n4)CC3)nc2c1 ZINC000106095381 568104133 /nfs/dbraw/zinc/10/41/33/568104133.db2.gz RFLUWLVHGMANEA-UHFFFAOYSA-N 0 0 374.444 4.113 10 0 FIAERN O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121687891 568108757 /nfs/dbraw/zinc/10/87/57/568108757.db2.gz BOZMXILUFSXDTH-LRDDRELGSA-N 0 0 360.351 4.003 10 0 FIAERN Cc1cccc2c(CCNC(=O)[C@H]3C[C@@H]3c3ccc(F)c(F)c3)c[nH]c21 ZINC000128662750 568127108 /nfs/dbraw/zinc/12/71/08/568127108.db2.gz CRAJDVKGRHPEBI-SJORKVTESA-N 0 0 354.400 4.217 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000128731504 568222048 /nfs/dbraw/zinc/22/20/48/568222048.db2.gz FGWULMIEOWIVKS-DLBZAZTESA-N 0 0 356.853 4.305 10 0 FIAERN C[C@@H](NC(=O)NCc1cc(F)ccc1Br)c1cccs1 ZINC000057036228 568250422 /nfs/dbraw/zinc/25/04/22/568250422.db2.gz GYRPQNCHJIHBEW-SECBINFHSA-N 0 0 357.248 4.210 10 0 FIAERN C[C@H](NC(=O)NCc1cc(F)ccc1Br)c1cccs1 ZINC000057036227 568250312 /nfs/dbraw/zinc/25/03/12/568250312.db2.gz GYRPQNCHJIHBEW-VIFPVBQESA-N 0 0 357.248 4.210 10 0 FIAERN CCOc1cc(/C=C/C(=O)OC(C)(C)C)ccc1OCc1cccnc1 ZINC000725273919 570543527 /nfs/dbraw/zinc/54/35/27/570543527.db2.gz UNLJUHTVUWEEAH-PKNBQFBNSA-N 0 0 355.434 4.414 10 0 FIAERN CC[C@H](C(=O)N1CCC(CCOc2ccncc2)CC1)c1ccccc1 ZINC000065181028 570818134 /nfs/dbraw/zinc/81/81/34/570818134.db2.gz PYZJPZXYPRFECZ-NRFANRHFSA-N 0 0 352.478 4.283 10 0 FIAERN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)NCCC1=CCCCC1 ZINC000065306195 570886301 /nfs/dbraw/zinc/88/63/01/570886301.db2.gz GOTATMFXECTNKZ-UHFFFAOYSA-N 0 0 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Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1N1CCc2ccccc21 ZINC000040687426 208263802 /nfs/dbraw/zinc/26/38/02/208263802.db2.gz VRMZFUCRXZKHDB-UHFFFAOYSA-N 0 0 355.804 4.289 10 0 FIAERN Nc1c(NCc2ccccc2Cl)ncnc1N1CCc2ccccc21 ZINC000040687457 208264112 /nfs/dbraw/zinc/26/41/12/208264112.db2.gz NZUYRUVUCHPXDJ-UHFFFAOYSA-N 0 0 351.841 4.019 10 0 FIAERN COc1ccccc1Oc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040758519 208267451 /nfs/dbraw/zinc/26/74/51/208267451.db2.gz DBMHBKXPSVCYEU-UHFFFAOYSA-N 0 0 359.389 4.152 10 0 FIAERN Cc1ccc2cccc(Oc3ncnc(N(C)c4ccccc4)c3N)c2n1 ZINC000040752269 208267525 /nfs/dbraw/zinc/26/75/25/208267525.db2.gz UGPAVNNQTPCZFE-UHFFFAOYSA-N 0 0 357.417 4.476 10 0 FIAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1ccc(F)cc1 ZINC000040761029 208268074 /nfs/dbraw/zinc/26/80/74/208268074.db2.gz LFCBPVJEXBBGES-UHFFFAOYSA-N 0 0 352.398 4.295 10 0 FIAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1cccnc1Cl ZINC000040761215 208268104 /nfs/dbraw/zinc/26/81/04/208268104.db2.gz WAGBDJMAOIIWPD-UHFFFAOYSA-N 0 0 369.841 4.204 10 0 FIAERN CCc1ccccc1NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000041055850 208281242 /nfs/dbraw/zinc/28/12/42/208281242.db2.gz XGIZDUZATFZXNW-UHFFFAOYSA-N 0 0 360.335 4.362 10 0 FIAERN CCOc1cc(F)ccc1NC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000046519683 208364296 /nfs/dbraw/zinc/36/42/96/208364296.db2.gz ONBHZFSAFYOHDX-IFXJQAMLSA-N 0 0 372.440 4.008 10 0 FIAERN O=C(COc1cccc(I)c1)c1ccccc1Cl ZINC000048403366 208406147 /nfs/dbraw/zinc/40/61/47/208406147.db2.gz DHSNEKUZMVYSML-UHFFFAOYSA-N 0 0 372.589 4.206 10 0 FIAERN CCOC(=O)c1sc2nc(C)nc(Nc3cccc([C@H](C)O)c3)c2c1C ZINC000072260938 208826492 /nfs/dbraw/zinc/82/64/92/208826492.db2.gz RFAJNSRQIYHYPS-NSHDSACASA-N 0 0 371.462 4.282 10 0 FIAERN Nc1nc2cc(-c3cc(NCc4ccccn4)nc4[nH]ccc43)ccc2s1 ZINC000072427212 208857009 /nfs/dbraw/zinc/85/70/09/208857009.db2.gz GOJCSBKZFCUTGN-UHFFFAOYSA-N 0 0 372.457 4.429 10 0 FIAERN CCOc1ccc(Nc2nc3nccc(-c4cccs4)c3c(=O)[nH]2)cc1 ZINC000072441147 208864491 /nfs/dbraw/zinc/86/44/91/208864491.db2.gz LKAFYZCIJQZOJW-UHFFFAOYSA-N 0 0 364.430 4.189 10 0 FIAERN C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)C=C1C=CCC[C@@]13C ZINC000077286784 208895139 /nfs/dbraw/zinc/89/51/39/208895139.db2.gz BUNOGSCRHSBGMH-KUQZTQEZSA-N 0 0 368.517 4.265 10 0 in-vitro FIAERN CC(C)(C)OC(=O)NCc1ccc(Br)cc1OC(F)(F)F ZINC000096028846 209095958 /nfs/dbraw/zinc/09/59/58/209095958.db2.gz JWRMOFDSPIMSBW-UHFFFAOYSA-N 0 0 370.165 4.372 10 0 FIAERN CCCOC(=O)c1cc(Cl)cc(Cl)c1I ZINC000095082003 209018793 /nfs/dbraw/zinc/01/87/93/209018793.db2.gz WHECCRFWMYYFTF-UHFFFAOYSA-N 0 0 358.990 4.165 10 0 FIAERN COc1ccc(-c2cc(=O)[nH]c(N3c4ccc(F)cc4CC[C@H]3C)n2)cc1 ZINC000057341795 132376446 /nfs/dbraw/zinc/37/64/46/132376446.db2.gz QDXNTXASOTXPDW-CYBMUJFWSA-N 0 0 365.408 4.057 10 0 FIAERN Nc1c(Sc2ccc(Cl)cc2)ncnc1N1CCc2ccccc2C1 ZINC000040723027 136120144 /nfs/dbraw/zinc/12/01/44/136120144.db2.gz OJKCKLQYPDDNGL-UHFFFAOYSA-N 0 0 368.893 4.426 10 0 FIAERN Cc1cccc(N2CN(C3CCCCC3)Cn3c(=O)c(C)c(C)nc32)c1C ZINC000072442977 136147859 /nfs/dbraw/zinc/14/78/59/136147859.db2.gz YHGYWLNMFRTGGE-UHFFFAOYSA-N 0 0 366.509 4.178 10 0 FIAERN C[C@H]1CCC[C@H]1NC(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 ZINC000095598020 209083389 /nfs/dbraw/zinc/08/33/89/209083389.db2.gz QNEFGNKZMJLFIA-SWLSCSKDSA-N 0 0 361.873 4.002 10 0 FIAERN Cc1cc(=O)[nH]c2c1c(-c1cccc(Br)c1)nn2C(C)(C)C ZINC000095935255 209086145 /nfs/dbraw/zinc/08/61/45/209086145.db2.gz RMPDBGBRLPNNCL-UHFFFAOYSA-N 0 0 360.255 4.218 10 0 FIAERN C=C1C(NCCC2=CCCCC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465702 520843600 /nfs/dbraw/zinc/84/36/00/520843600.db2.gz YVDJLNXTPLZXJE-UHFFFAOYSA-N 0 0 358.507 4.256 10 0 FIAERN O=C(OCc1ccccc1)N1CCCC[C@H]1COC(F)(F)C(F)(F)F ZINC000091252514 526426953 /nfs/dbraw/zinc/42/69/53/526426953.db2.gz IQVLWCGOQKTESS-ZDUSSCGKSA-N 0 0 367.314 4.349 10 0 FIAERN CCc1c(C)nc2n(c1=O)CN(CCC(C)C)CN2c1cccc(C)c1C ZINC000072443002 536071378 /nfs/dbraw/zinc/07/13/78/536071378.db2.gz RBGFJFABYGQECB-UHFFFAOYSA-N 0 0 368.525 4.146 10 0 FIAERN COC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)c(OC)c1 ZINC000186907465 568011722 /nfs/dbraw/zinc/01/17/22/568011722.db2.gz UJRJTAGEGUOTFU-MRXNPFEDSA-N 0 0 372.421 4.142 10 0 FIAERN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[C@H](C)O1 ZINC000186908425 568012244 /nfs/dbraw/zinc/01/22/44/568012244.db2.gz VLVDGICWOFSXIQ-RYUDHWBXSA-N 0 0 369.339 4.095 10 0 FIAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c12 ZINC000330265588 568047257 /nfs/dbraw/zinc/04/72/57/568047257.db2.gz ZLLRFHNUNWBKFL-BBRMVZONSA-N 0 0 366.490 4.020 10 0 FIAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 ZINC000128640194 568099999 /nfs/dbraw/zinc/09/99/99/568099999.db2.gz DWUSDFRICKDQCP-RTWAWAEBSA-N 0 0 360.461 4.192 10 0 FIAERN CSCC[C@H](NC(=O)[C@H](C)c1cccs1)c1nc2ccccc2[nH]1 ZINC000159341002 568159896 /nfs/dbraw/zinc/15/98/96/568159896.db2.gz NTYUTRKSBRSKCM-DOMZBBRYSA-N 0 0 359.520 4.339 10 0 FIAERN Cc1ccc(-c2ccc(SCc3ccc(C(=O)NC(C)C)o3)nn2)cc1 ZINC000000737842 568162546 /nfs/dbraw/zinc/16/25/46/568162546.db2.gz CYFYGAUFUCLSDN-UHFFFAOYSA-N 0 0 367.474 4.476 10 0 FIAERN O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@H]2CCC[C@H]21 ZINC000330330770 568245808 /nfs/dbraw/zinc/24/58/08/568245808.db2.gz XDZOBBMAMIRCDZ-RDTXWAMCSA-N 0 0 364.474 4.010 10 0 FIAERN Cc1c(Br)cccc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000390802321 568248122 /nfs/dbraw/zinc/24/81/22/568248122.db2.gz QUIKLCATQKGMEZ-ZDUSSCGKSA-N 0 0 362.267 4.093 10 0 FIAERN COc1c2c(cc3c1C[C@H](c1ccc(O)cc1O)CO3)OC(C)(C)C=C2 ZINC000014613161 570536803 /nfs/dbraw/zinc/53/68/03/570536803.db2.gz FLKVRTIAGSMQLN-LBPRGKRZSA-N 0 0 354.402 4.009 10 0 biogenic FIAERN CCOc1cccc(CNCc2ccccn2)c1OCc1ccccc1F ZINC000013730055 570788073 /nfs/dbraw/zinc/78/80/73/570788073.db2.gz DDLKEAKMJZMSBP-UHFFFAOYSA-N 0 0 366.436 4.488 10 0 FIAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 ZINC000583619941 570808937 /nfs/dbraw/zinc/80/89/37/570808937.db2.gz FZSYBURYHHYUPT-KKSFZXQISA-N 0 0 354.450 4.348 10 0 FIAERN CC(=O)Oc1cccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000021025281 570927881 /nfs/dbraw/zinc/92/78/81/570927881.db2.gz CXGDHPNQWIOZKV-UHFFFAOYSA-N 0 0 370.792 4.481 10 0 FIAERN Cc1ccccc1NC(=O)/C=C/c1c2c(ccc1Br)OCO2 ZINC000048545704 570955114 /nfs/dbraw/zinc/95/51/14/570955114.db2.gz SYNHVIMYPSZZNL-RMKNXTFCSA-N 0 0 360.207 4.138 10 0 FIAERN c1csc(CN(Cc2ccc(-c3cc[nH]n3)o2)Cc2ccccc2)n1 ZINC000055393142 571120249 /nfs/dbraw/zinc/12/02/49/571120249.db2.gz RNWXTQBPGDOKCZ-UHFFFAOYSA-N 0 0 350.447 4.329 10 0 FIAERN CCN(CC)C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881089 571140981 /nfs/dbraw/zinc/14/09/81/571140981.db2.gz LOVBAQGMNHDLPF-UHFFFAOYSA-N 0 0 353.462 4.461 10 0 FIAERN S=C(Nc1ccc(Cl)cc1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC000070503699 571159501 /nfs/dbraw/zinc/15/95/01/571159501.db2.gz MLQAIMZCUKDACA-SFHVURJKSA-N 0 0 368.893 4.408 10 0 FIAERN O=C(Nc1ccc(C(=O)N2CCCCC2)c(N2CCCCCC2)c1)C1CC1 ZINC000065166033 571255691 /nfs/dbraw/zinc/25/56/91/571255691.db2.gz CFOSWOHHDVSXCR-UHFFFAOYSA-N 0 0 369.509 4.042 10 0 FIAERN COc1ccc(OC)c(CNC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000170591978 571266097 /nfs/dbraw/zinc/26/60/97/571266097.db2.gz GWJMXCJDLFKBIT-UHFFFAOYSA-N 0 0 369.446 4.149 10 0 FIAERN COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OCc1ccccc1 ZINC000048545782 571308892 /nfs/dbraw/zinc/30/88/92/571308892.db2.gz ACRKCZLGDHIAAX-WYMLVPIESA-N 0 0 351.446 4.346 10 0 FIAERN O=C(/C=C/c1ccc(O)cc1)c1cccc(C(=O)/C=C\c2ccc(O)cc2)n1 ZINC000048564530 571309049 /nfs/dbraw/zinc/30/90/49/571309049.db2.gz GCSVDBMPVNYUKN-DJJIWSAGSA-N 0 0 371.392 4.285 10 0 FIAERN CCc1ccc([C@H]2C[C@@H](c3cccc(OC)c3OC)n3ncnc3N2)cc1 ZINC000002915896 571341666 /nfs/dbraw/zinc/34/16/66/571341666.db2.gz DNWCDVHQZYDPHU-MSOLQXFVSA-N 0 0 364.449 4.004 10 0 FIAERN Cc1cc(C)c(NC(=O)N(C)[C@@H](C)c2cnn(C)c2)cc1Br ZINC000187560881 1080131273 /nfs/dbraw/zinc/13/12/73/1080131273.db2.gz JBGHYALDEMYBBD-LBPRGKRZSA-N 0 0 365.275 4.024 10 0 FIAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CCO2)n1 ZINC000332708414 1081053448 /nfs/dbraw/zinc/05/34/48/1081053448.db2.gz CBLIPYTUIRUUGW-KKXDTOCCSA-N 0 0 371.506 4.173 10 0 FIAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176298432 1081094476 /nfs/dbraw/zinc/09/44/76/1081094476.db2.gz IHXJZQZDJUKZQZ-JKSUJKDBSA-N 0 0 357.479 4.294 10 0 FIAERN Cc1ccccc1-c1nc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000113890559 1081440455 /nfs/dbraw/zinc/44/04/55/1081440455.db2.gz YYLSNAQBADGAEG-KRWDZBQOSA-N 0 0 352.463 4.209 10 0 FIAERN Cc1c(C(=O)N2CCCC3(C2)CCCCCC3)cccc1N1CCNC1=O ZINC000081304716 1081457987 /nfs/dbraw/zinc/45/79/87/1081457987.db2.gz RTVHHQCNEZBRGN-UHFFFAOYSA-N 0 0 369.509 4.101 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCc3cc(F)ccc32)no1 ZINC000119252407 1082111099 /nfs/dbraw/zinc/11/10/99/1082111099.db2.gz KWUCZDOEHMSEDQ-IRXDYDNUSA-N 0 0 372.444 4.256 10 0 FIAERN CCCN1C(=O)CCc2cc(NC(=O)N3CC[C@H](C)C[C@H](C)C3)ccc21 ZINC000091195885 1082538223 /nfs/dbraw/zinc/53/82/23/1082538223.db2.gz YKEFKKUCKRDVHB-HOTGVXAUSA-N 0 0 357.498 4.276 10 0 FIAERN CCc1nnc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)s1 ZINC000152423336 1082784229 /nfs/dbraw/zinc/78/42/29/1082784229.db2.gz CUAVAZINAOZFAL-ZDUSSCGKSA-N 0 0 358.467 4.059 10 0 FIAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3)n2)n1 ZINC000328833229 1082959854 /nfs/dbraw/zinc/95/98/54/1082959854.db2.gz KZRPJJZOZIEBHK-QGZVFWFLSA-N 0 0 352.463 4.005 10 0 FIAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000126674148 1082998660 /nfs/dbraw/zinc/99/86/60/1082998660.db2.gz DTGCCUOMLARASU-VEVIJQCQSA-N 0 0 371.308 4.391 10 0 FIAERN CC(C)c1nnc2n1CCN(C(=O)CC1CCC(c3ccccc3)CC1)C2 ZINC000328961382 1083243638 /nfs/dbraw/zinc/24/36/38/1083243638.db2.gz QQHWRNILKWGYQZ-UHFFFAOYSA-N 0 0 366.509 4.108 10 0 FIAERN O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408120352 1085169705 /nfs/dbraw/zinc/16/97/05/1085169705.db2.gz FYRBSBNYXCNDCJ-USXIJHARSA-N 0 0 371.308 4.219 10 0 FIAERN Cc1ccn(-c2ccc(C(=O)N3CCCC[C@H]3c3nc(C)cs3)cc2)n1 ZINC000329082940 1085203450 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/nfs/dbraw/zinc/02/00/97/209020097.db2.gz IXEPMOVQYNZDBB-CQSZACIVSA-N 0 0 369.893 4.074 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2cnc3ccccc3n2)C1 ZINC000095085163 209020247 /nfs/dbraw/zinc/02/02/47/209020247.db2.gz KRXAJLDAPPQYNE-HNNXBMFYSA-N 0 0 357.454 4.046 10 0 FIAERN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1Br ZINC000070140402 221331530 /nfs/dbraw/zinc/33/15/30/221331530.db2.gz TWGFQSUHDVXZCE-UHFFFAOYSA-N 0 0 360.660 4.212 10 0 FIAERN O=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 ZINC000042793201 132950137 /nfs/dbraw/zinc/95/01/37/132950137.db2.gz CCPNETIBBJGQIO-UHFFFAOYSA-N 0 0 363.288 4.275 10 0 FIAERN COc1c(Br)cc(Cl)c2cc(Br)cnc21 ZINC000095933515 209086690 /nfs/dbraw/zinc/08/66/90/209086690.db2.gz BTJWCKYHNJKVAB-UHFFFAOYSA-N 0 0 351.425 4.422 10 0 FIAERN CCCCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000105987927 222380277 /nfs/dbraw/zinc/38/02/77/222380277.db2.gz UIVLITIRRKNNAS-UHFFFAOYSA-N 0 0 362.489 4.105 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2cnc3ccccc3n2)C1 ZINC000085332619 518805438 /nfs/dbraw/zinc/80/54/38/518805438.db2.gz XOYMNQBPSUDOEU-CQSZACIVSA-N 0 0 359.495 4.369 10 0 FIAERN COc1ccc([C@H](CC(=O)Nc2cccc(C(C)=O)c2)n2cccc2)cc1 ZINC000020997560 525344363 /nfs/dbraw/zinc/34/43/63/525344363.db2.gz DCHCCBYIYWABJI-NRFANRHFSA-N 0 0 362.429 4.318 10 0 FIAERN COc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)ccc1O ZINC000014762699 560225789 /nfs/dbraw/zinc/22/57/89/560225789.db2.gz NSGZYFCJQNNTFB-SFHVURJKSA-N 0 0 370.401 4.027 10 0 biogenic,in-vitro FIAERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)c1C ZINC000188512804 567845328 /nfs/dbraw/zinc/84/53/28/567845328.db2.gz NVAIPDCHHDJVKK-MRXNPFEDSA-N 0 0 368.477 4.479 10 0 FIAERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)c1C ZINC000188512780 567845356 /nfs/dbraw/zinc/84/53/56/567845356.db2.gz NVAIPDCHHDJVKK-INIZCTEOSA-N 0 0 368.477 4.479 10 0 FIAERN COc1ccc(-c2nc(C)c(C(=O)N3CC[C@H]4CCC[C@@H]43)s2)cc1OC ZINC000330267648 568041115 /nfs/dbraw/zinc/04/11/15/568041115.db2.gz AOXJZVLOWWVOLN-HIFRSBDPSA-N 0 0 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/nfs/dbraw/zinc/03/33/03/571033303.db2.gz OGSGZLJIZJITOA-CUJSYCCXSA-N 0 0 367.445 4.006 10 0 FIAERN CC[C@@H]1c2[nH]cnc2CCN1Cc1cnc(-c2ccccc2OC)s1 ZINC000067489859 571052261 /nfs/dbraw/zinc/05/22/61/571052261.db2.gz FOLWUAGLSJQXOZ-MRXNPFEDSA-N 0 0 354.479 4.051 10 0 FIAERN CCCn1ccc2oc(C)c(C(=O)N[C@H](C)c3ccc(C)cc3C)c2c1=O ZINC000075524631 571194730 /nfs/dbraw/zinc/19/47/30/571194730.db2.gz KVOZZGKRICTMAG-OAHLLOKOSA-N 0 0 366.461 4.421 10 0 FIAERN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000253497462 571200410 /nfs/dbraw/zinc/20/04/10/571200410.db2.gz JTZTZZVWEJMKLI-LLPMHQGWSA-N 0 0 374.521 4.012 10 0 FIAERN Cc1sc(C)c(S(=O)(=O)NCCC2=CCCCC2)c1-c1ccno1 ZINC000064844934 571244597 /nfs/dbraw/zinc/24/45/97/571244597.db2.gz RKWBFUZPWHYVLW-UHFFFAOYSA-N 0 0 366.508 4.189 10 0 FIAERN CCCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2 ZINC000065082188 571253481 /nfs/dbraw/zinc/25/34/81/571253481.db2.gz POYWGRLICGCQCK-QGZVFWFLSA-N 0 0 372.509 4.205 10 0 FIAERN CC(=O)O[C@@]1(C)CC[C@H]2[C@H]3CCC(=O)[C@@]4(C)C(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000005639414 571307966 /nfs/dbraw/zinc/30/79/66/571307966.db2.gz NNHQNBHUTYESDN-NMHWLNQFSA-N 0 0 372.505 4.409 10 0 FIAERN CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000048524153 571308683 /nfs/dbraw/zinc/30/86/83/571308683.db2.gz VFJYUVJSRASTTB-SFHVURJKSA-N 0 0 350.805 4.148 10 0 FIAERN COc1cc(/C=C/C(=O)c2sc(-c3ccncc3)nc2C)ccc1O ZINC000048552542 571309028 /nfs/dbraw/zinc/30/90/28/571309028.db2.gz CCNIWXXNXNYXSZ-GQCTYLIASA-N 0 0 352.415 4.124 10 0 FIAERN COc1cccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)c1 ZINC000020602875 571331553 /nfs/dbraw/zinc/33/15/53/571331553.db2.gz XFXFSBSLQIPYDE-UHFFFAOYSA-N 0 0 351.427 4.180 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)C2)c1 ZINC000111856004 1079902512 /nfs/dbraw/zinc/90/25/12/1079902512.db2.gz QEGLUVOVAUGWEQ-PMACEKPBSA-N 0 0 352.482 4.079 10 0 FIAERN O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000286433994 1080425453 /nfs/dbraw/zinc/42/54/53/1080425453.db2.gz PRSXNYWZSRZNQA-KYNGSXCRSA-N 0 0 358.869 4.044 10 0 FIAERN CC1(C)CN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[C@H]1c1cccnc1 ZINC000332972007 1081055147 /nfs/dbraw/zinc/05/51/47/1081055147.db2.gz FATDKPMFJRWXHH-MJGOQNOKSA-N 0 0 365.477 4.477 10 0 FIAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000119202473 1082102336 /nfs/dbraw/zinc/10/23/36/1082102336.db2.gz CYJALPDOJUXRMA-HKUYNNGSSA-N 0 0 370.472 4.009 10 0 FIAERN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000246479122 1082682268 /nfs/dbraw/zinc/68/22/68/1082682268.db2.gz OTZMMLWCLDCIDJ-VXIBKDFQSA-N 0 0 372.509 4.152 10 0 FIAERN CC1CCC(OC2CCN(C(=O)N[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000408102686 1082936929 /nfs/dbraw/zinc/93/69/29/1082936929.db2.gz CEXKOFBJUFHCRC-UHYCVJNDSA-N 0 0 372.509 4.280 10 0 FIAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246602326 1082961104 /nfs/dbraw/zinc/96/11/04/1082961104.db2.gz XNDTVEYGOZRRQE-SPYBWZPUSA-N 0 0 355.482 4.072 10 0 FIAERN Cc1cc(NC(=O)N2CC[C@H](C)C[C@H](C)C2)ccc1OC1CCOCC1 ZINC000125797781 1082973742 /nfs/dbraw/zinc/97/37/42/1082973742.db2.gz IIXDTOCNSUINIV-HOTGVXAUSA-N 0 0 360.498 4.453 10 0 FIAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000126674572 1082998648 /nfs/dbraw/zinc/99/86/48/1082998648.db2.gz DTGCCUOMLARASU-JCGVRSQUSA-N 0 0 371.308 4.391 10 0 FIAERN FC(F)(F)Cn1cnnc1SCc1ncc(-c2ccccc2Cl)o1 ZINC000150939363 1083949053 /nfs/dbraw/zinc/94/90/53/1083949053.db2.gz DQKPJEYXWRVXIW-UHFFFAOYSA-N 0 0 374.775 4.441 10 0 FIAERN Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000151186384 1083967819 /nfs/dbraw/zinc/96/78/19/1083967819.db2.gz UMUWXXACPUNRMQ-HNNXBMFYSA-N 0 0 367.478 4.049 10 0 FIAERN Cc1ccc(Br)c(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000151486166 1083977133 /nfs/dbraw/zinc/97/71/33/1083977133.db2.gz IRNUUJZETDFMEQ-UHFFFAOYSA-N 0 0 358.195 4.060 10 0 FIAERN COc1ccc(F)c(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000151865175 1084353780 /nfs/dbraw/zinc/35/37/80/1084353780.db2.gz KEVAZOGYUMSWEX-UHFFFAOYSA-N 0 0 361.392 4.082 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H](CC(C)C)c3cccs3)C2)c1 ZINC000332825377 1084898260 /nfs/dbraw/zinc/89/82/60/1084898260.db2.gz IOCRJADEQINCON-DLBZAZTESA-N 0 0 360.527 4.387 10 0 FIAERN CO[C@@H](C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(O)cc1 ZINC000332844258 1084915350 /nfs/dbraw/zinc/91/53/50/1084915350.db2.gz MUPANFJMSLSXPC-UYAOXDASSA-N 0 0 367.445 4.033 10 0 FIAERN C[C@]1(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCO[C@H]1C1CC1 ZINC000332884367 1084959387 /nfs/dbraw/zinc/95/93/87/1084959387.db2.gz XNEOYLSSZTZYDU-CUWPLCDZSA-N 0 0 370.493 4.080 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccc(Cl)cc1 ZINC000408121882 1085179519 /nfs/dbraw/zinc/17/95/19/1085179519.db2.gz RYTIXAAADAGUNG-OKDNKWQNSA-N 0 0 350.890 4.126 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccccc1Cl ZINC000408121869 1085180558 /nfs/dbraw/zinc/18/05/58/1085180558.db2.gz RTIZFKOSUAGRFU-OXXUSNJHSA-N 0 0 350.890 4.126 10 0 FIAERN COc1cccc2cc([C@H](C)N[C@H](c3nnc(C)[nH]3)c3ccccc3)oc21 ZINC000154161761 1086309647 /nfs/dbraw/zinc/30/96/47/1086309647.db2.gz GHOVHVSJUYJOPE-DJJJIMSYSA-N 0 0 362.433 4.308 10 0 FIAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000154354107 1086349226 /nfs/dbraw/zinc/34/92/26/1086349226.db2.gz IEGLLONDQAYGSG-SNVBAGLBSA-N 0 0 358.360 4.321 10 0 FIAERN Cc1coc(-c2cccc(NC(=O)c3cc4cc(F)ccc4oc3=O)c2)n1 ZINC000154619976 1086405440 /nfs/dbraw/zinc/40/54/40/1086405440.db2.gz QCIDMWLUUKLUNO-UHFFFAOYSA-N 0 0 364.332 4.148 10 0 FIAERN COc1ccc([C@H](C)N(C)C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000155412511 1086517559 /nfs/dbraw/zinc/51/75/59/1086517559.db2.gz WQVPHDXRESKLSH-HNNXBMFYSA-N 0 0 373.522 4.128 10 0 FIAERN Cc1csc(C2CCN(Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000156687734 1086740694 /nfs/dbraw/zinc/74/06/94/1086740694.db2.gz OWTFVTDUIBRDGE-UHFFFAOYSA-N 0 0 356.520 4.350 10 0 FIAERN CC(C)(C)[C@@H](NC(=O)N1CCC(Cn2cccn2)CC1)c1cccs1 ZINC000156990811 1086811570 /nfs/dbraw/zinc/81/15/70/1086811570.db2.gz DIXPOWLQKQIPMW-KRWDZBQOSA-N 0 0 360.527 4.154 10 0 FIAERN COc1c(Cl)cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000408348965 1086858093 /nfs/dbraw/zinc/85/80/93/1086858093.db2.gz LNHZTXZGLZQTSV-APPDUMDISA-N 0 0 373.280 4.161 10 0 FIAERN O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408350517 1086878122 /nfs/dbraw/zinc/87/81/22/1086878122.db2.gz RXIIMAOTODCKAX-KPZWWZAWSA-N 0 0 364.898 4.164 10 0 FIAERN Cc1coc(-c2cccc(NC(=O)N[C@H]3CCO[C@@H]3c3ccccc3)c2)n1 ZINC000157816486 1086983661 /nfs/dbraw/zinc/98/36/61/1086983661.db2.gz PILBENPGQDGECP-RBUKOAKNSA-N 0 0 363.417 4.302 10 0 FIAERN Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)sc1C ZINC000329634112 1087120834 /nfs/dbraw/zinc/12/08/34/1087120834.db2.gz XADIJRJEKSSJSQ-CYBMUJFWSA-N 0 0 372.519 4.231 10 0 FIAERN Cc1nc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)sc1C ZINC000329650612 1087146812 /nfs/dbraw/zinc/14/68/12/1087146812.db2.gz KAESNEQAUXCYPY-AWEZNQCLSA-N 0 0 367.474 4.034 10 0 FIAERN Cc1nc2cc(NC(=O)N3CCC(Nc4ccccc4F)CC3)ccc2o1 ZINC000158811663 1087158743 /nfs/dbraw/zinc/15/87/43/1087158743.db2.gz ROQCBKVUUUZRIU-UHFFFAOYSA-N 0 0 368.412 4.384 10 0 FIAERN Cc1ccn2cc(C(=O)N3CCC[C@@H](c4nc(C(C)C)cs4)C3)nc2c1 ZINC000329667945 1087167530 /nfs/dbraw/zinc/16/75/30/1087167530.db2.gz QTLWPXNICDEXGO-OAHLLOKOSA-N 0 0 368.506 4.242 10 0 FIAERN CC(C)(C)c1csc([C@H]2CN(Cc3csc(C4CC4)n3)CCO2)n1 ZINC000163455180 1087409838 /nfs/dbraw/zinc/40/98/38/1087409838.db2.gz RYKYENHYTRINSQ-CQSZACIVSA-N 0 0 363.552 4.348 10 0 FIAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000407965095 1088495155 /nfs/dbraw/zinc/49/51/55/1088495155.db2.gz UYGIDKWUBMYNDT-IIYDPXPESA-N 0 0 363.889 4.227 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000109670465 1088681575 /nfs/dbraw/zinc/68/15/75/1088681575.db2.gz UQWNXEWKPMJEQL-FQEVSTJZSA-N 0 0 362.477 4.179 10 0 FIAERN CCOc1ccc(F)c(NC(=O)N2CCOC3(C2)CCCCCC3)c1F ZINC000408008629 1088765440 /nfs/dbraw/zinc/76/54/40/1088765440.db2.gz MCHPGQNOIJZIBI-UHFFFAOYSA-N 0 0 368.424 4.321 10 0 FIAERN Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)c1Cl ZINC000180373035 1088769882 /nfs/dbraw/zinc/76/98/82/1088769882.db2.gz SQQAZDAZSMSRGW-GFCCVEGCSA-N 0 0 356.900 4.021 10 0 FIAERN CC(C)(C)[C@H]1C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000408027784 1088899383 /nfs/dbraw/zinc/89/93/83/1088899383.db2.gz MPJZRLGARKLOGL-CLRIEMFWSA-N 0 0 350.425 4.000 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000182869083 1088952910 /nfs/dbraw/zinc/95/29/10/1088952910.db2.gz YUMHYLWKNGUQBK-UHFFFAOYSA-N 0 0 367.280 4.441 10 0 FIAERN CCCn1ccc2cc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc21 ZINC000123045441 1089139508 /nfs/dbraw/zinc/13/95/08/1089139508.db2.gz OYFKVYFCXPILDU-DYESRHJHSA-N 0 0 355.482 4.210 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000112712426 1089534361 /nfs/dbraw/zinc/53/43/61/1089534361.db2.gz VSFODIFULXDLJP-UHFFFAOYSA-N 0 0 367.280 4.441 10 0 FIAERN 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C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000182096076 1101597484 /nfs/dbraw/zinc/59/74/84/1101597484.db2.gz GTGMLSMLGPFDPS-MLGOLLRUSA-N 0 0 355.488 4.490 10 0 FIAERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000182096093 1101598118 /nfs/dbraw/zinc/59/81/18/1101598118.db2.gz GTGMLSMLGPFDPS-BLLLJJGKSA-N 0 0 355.488 4.490 10 0 FIAERN CCc1cc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)ccc1C ZINC000181988342 1101601322 /nfs/dbraw/zinc/60/13/22/1101601322.db2.gz RHHBQJKBVFSEHM-QGZVFWFLSA-N 0 0 363.465 4.012 10 0 FIAERN CC[C@@H](NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)c1cccs1 ZINC000182434430 1101604557 /nfs/dbraw/zinc/60/45/57/1101604557.db2.gz NQXCQOZBAYATJJ-CABCVRRESA-N 0 0 373.526 4.064 10 0 FIAERN CC[C@@]1(c2ccc(N[C@@H](C)c3sc(C)nc3C)cc2)CCC(=O)NC1=O ZINC000182740242 1101616725 /nfs/dbraw/zinc/61/67/25/1101616725.db2.gz IKWDOUYJGLYRLC-RBZFPXEDSA-N 0 0 371.506 4.017 10 0 FIAERN CCC[C@H](Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1)c1ccccn1 ZINC000182741776 1101616986 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Cc1nc(C(=O)N2CCC[C@H](c3nccs3)C2)c(-c2ccccc2)o1 ZINC000184871841 1101673580 /nfs/dbraw/zinc/67/35/80/1101673580.db2.gz GTLNRZROXSYLOJ-HNNXBMFYSA-N 0 0 353.447 4.126 10 0 FIAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)c2ccc(F)cc2C1 ZINC000185530200 1101738237 /nfs/dbraw/zinc/73/82/37/1101738237.db2.gz BIUAJPADCLIKRH-LJQANCHMSA-N 0 0 374.843 4.011 10 0 FIAERN CCCCC[C@H](C)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185507000 1101738520 /nfs/dbraw/zinc/73/85/20/1101738520.db2.gz VFEUOFHFYUGJQC-MGPUTAFESA-N 0 0 362.489 4.342 10 0 FIAERN O=C(NCc1ccc(C(F)F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000185697355 1101744351 /nfs/dbraw/zinc/74/43/51/1101744351.db2.gz JLAMKDCQFHJLMX-CQSZACIVSA-N 0 0 351.422 4.170 10 0 FIAERN Brc1csc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185876716 1101751163 /nfs/dbraw/zinc/75/11/63/1101751163.db2.gz KXZQTWJZBNCCSS-UHFFFAOYSA-N 0 0 360.280 4.257 10 0 FIAERN COc1ccc2c(c1)[C@@H](NCc1ncc(-c3ccccc3)cn1)CCCO2 ZINC000186059387 1101753530 /nfs/dbraw/zinc/75/35/30/1101753530.db2.gz 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/nfs/dbraw/zinc/13/60/25/207136025.db2.gz OTYRWTMYZDFJEV-UHFFFAOYSA-N 0 0 355.246 4.129 10 0 FIAERN COC(=O)c1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1OC ZINC000006180585 207132672 /nfs/dbraw/zinc/13/26/72/207132672.db2.gz IAGYSWYSQQSGJW-UHFFFAOYSA-N 0 0 354.189 4.041 10 0 FIAERN C[C@H]1CCCCN1c1nnc(NC(=O)c2csc3c2CCCC3)s1 ZINC000006750051 207160556 /nfs/dbraw/zinc/16/05/56/207160556.db2.gz RQRNQKXKUJCCMX-NSHDSACASA-N 0 0 362.524 4.110 10 0 FIAERN O=C(CCc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000008381120 207230961 /nfs/dbraw/zinc/23/09/61/207230961.db2.gz ISXDHFYLZRLQFD-UHFFFAOYSA-N 0 0 353.274 4.439 10 0 FIAERN C[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OC(F)F)cc2)NC1=S ZINC000008534168 207236561 /nfs/dbraw/zinc/23/65/61/207236561.db2.gz RCKIWMVIWKWZLB-IEMQHYRPSA-N 0 0 374.412 4.107 10 0 FIAERN Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008713950 207244213 /nfs/dbraw/zinc/24/42/13/207244213.db2.gz IPSJGTRGMZZRLA-NYHFZMIOSA-N 0 0 368.477 4.348 10 0 FIAERN CC(C)CC(=O)NC(=S)Nc1ccccc1OCCOc1ccccc1 ZINC000009697995 207282260 /nfs/dbraw/zinc/28/22/60/207282260.db2.gz WHELTYZVMRDYIO-UHFFFAOYSA-N 0 0 372.490 4.004 10 0 FIAERN CCOCCOc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000009878213 207287869 /nfs/dbraw/zinc/28/78/69/207287869.db2.gz PRZZMPMYTMATMJ-UHFFFAOYSA-N 0 0 364.239 4.117 10 0 FIAERN Cc1cccc(NC(=O)Nc2nc(CC(=O)N(C(C)C)C(C)C)cs2)c1 ZINC000009784640 207287308 /nfs/dbraw/zinc/28/73/08/207287308.db2.gz MLOUPRVYJVKKGT-UHFFFAOYSA-N 0 0 374.510 4.283 10 0 FIAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000009868920 207287748 /nfs/dbraw/zinc/28/77/48/207287748.db2.gz WRLLFDNCYBUYHW-HUUCEWRRSA-N 0 0 355.434 4.393 10 0 FIAERN CCOCCOc1cccc(C(=O)Nc2cccc(OCC(C)C)c2)c1 ZINC000010216025 207297113 /nfs/dbraw/zinc/29/71/13/207297113.db2.gz WNGLZHPVLLRQRU-UHFFFAOYSA-N 0 0 357.450 4.389 10 0 FIAERN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)cc1 ZINC000010121916 207295378 /nfs/dbraw/zinc/29/53/78/207295378.db2.gz OODOZZRODREJSS-ZDUSSCGKSA-N 0 0 370.474 4.193 10 0 FIAERN Cc1c(C(=O)NCC2CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000012134615 207340988 /nfs/dbraw/zinc/34/09/88/207340988.db2.gz HCHSCZOAYGCMPD-UHFFFAOYSA-N 0 0 370.522 4.442 10 0 FIAERN O=C(c1cc(Cc2ccccc2Cl)no1)N1CCC[C@H]1c1nccs1 ZINC000012244608 207351162 /nfs/dbraw/zinc/35/11/62/207351162.db2.gz GCDBBRJQJPASRI-HNNXBMFYSA-N 0 0 373.865 4.353 10 0 FIAERN C[C@@H](CCCC(C)(C)O)Nc1nncc(-c2cccc3ccccc32)n1 ZINC000012297354 207353412 /nfs/dbraw/zinc/35/34/12/207353412.db2.gz SFIVFANKHNGLKT-HNNXBMFYSA-N 0 0 350.466 4.433 10 0 FIAERN C[C@H](Nc1ccc2n[nH]cc2c1)c1ccc(I)cc1 ZINC000037283994 207515904 /nfs/dbraw/zinc/51/59/04/207515904.db2.gz QEGFTBYVCFAZEB-JTQLQIEISA-N 0 0 363.202 4.341 10 0 FIAERN Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)c1 ZINC000021126357 207764467 /nfs/dbraw/zinc/76/44/67/207764467.db2.gz NIFSNDXFSLXBRQ-UHFFFAOYSA-N 0 0 356.381 4.416 10 0 FIAERN CCOC(=O)[C@@H](NC1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037972196 207784228 /nfs/dbraw/zinc/78/42/28/207784228.db2.gz WKFKPTMCNUWXAQ-HNNXBMFYSA-N 0 0 358.251 4.115 10 0 FIAERN CC(C)(C)OC(=O)N(CCc1ccccn1)C(=O)OCc1ccccc1 ZINC000021984031 207791691 /nfs/dbraw/zinc/79/16/91/207791691.db2.gz BNYSMGXAHTYUEO-UHFFFAOYSA-N 0 0 356.422 4.198 10 0 FIAERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000022620281 207814889 /nfs/dbraw/zinc/81/48/89/207814889.db2.gz AFXDOKPPDUCLEB-MRXNPFEDSA-N 0 0 366.795 4.011 10 0 FIAERN Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1Cl ZINC000032530589 208030862 /nfs/dbraw/zinc/03/08/62/208030862.db2.gz AVMLHOYCAYQAAP-UHFFFAOYSA-N 0 0 354.837 4.219 10 0 FIAERN COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccc(F)cc32)cc1OC ZINC000032607041 208034528 /nfs/dbraw/zinc/03/45/28/208034528.db2.gz QJGMWRVJRQTOJZ-WEVVVXLNSA-N 0 0 366.392 4.351 10 0 FIAERN CCN(CC)S(=O)(=O)c1ccc(Nc2ccnc3ccc(F)cc32)cc1 ZINC000032607203 208034711 /nfs/dbraw/zinc/03/47/11/208034711.db2.gz ZOTLCZAHWYOUDU-UHFFFAOYSA-N 0 0 373.453 4.148 10 0 FIAERN O=C(CN1c2ccccc2CCCC1=O)Nc1ccccc1C(F)(F)F ZINC000032929335 208058793 /nfs/dbraw/zinc/05/87/93/208058793.db2.gz XWPWCDOMICDGHE-UHFFFAOYSA-N 0 0 362.351 4.013 10 0 FIAERN CC(C)C(=O)Nc1nc2cc(NC(=O)Cc3ccccc3)ccc2s1 ZINC000033020406 208066451 /nfs/dbraw/zinc/06/64/51/208066451.db2.gz QAORXPXEHUKOAS-UHFFFAOYSA-N 0 0 353.447 4.072 10 0 FIAERN COc1cccc(-c2csc(NC(=O)c3c(OC)cccc3OC)n2)c1 ZINC000033667878 208097621 /nfs/dbraw/zinc/09/76/21/208097621.db2.gz ZIRHABRCRQLLNO-UHFFFAOYSA-N 0 0 370.430 4.088 10 0 FIAERN CN[C@@H](c1ccoc1C)c1cc(Br)ccc1Br ZINC000035467133 208125682 /nfs/dbraw/zinc/12/56/82/208125682.db2.gz WGGFFTXVEPWSKH-ZDUSSCGKSA-N 0 0 359.061 4.422 10 0 FIAERN Nc1ccc(Cl)c(COc2ccccc2I)c1 ZINC000035454053 208126193 /nfs/dbraw/zinc/12/61/93/208126193.db2.gz XYDGBTRIAVYSKN-UHFFFAOYSA-N 0 0 359.594 4.106 10 0 FIAERN Cc1ccc(S(=O)(=O)N[C@H](Cc2cccs2)Cc2ccccc2)cc1 ZINC000034792240 208108588 /nfs/dbraw/zinc/10/85/88/208108588.db2.gz MNLBNGRLYSVNDD-SFHVURJKSA-N 0 0 371.527 4.189 10 0 FIAERN CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)c1ccccc1F ZINC000034796171 208109168 /nfs/dbraw/zinc/10/91/68/208109168.db2.gz LFBMWVRYYYCEPG-UHFFFAOYSA-N 0 0 353.397 4.429 10 0 FIAERN Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(F)cc1 ZINC000034903660 208113988 /nfs/dbraw/zinc/11/39/88/208113988.db2.gz UNRWTVGQZMEZFL-UHFFFAOYSA-N 0 0 365.452 4.454 10 0 FIAERN CCc1cc(NC(=O)/C=C/c2ccccc2)nn1-c1ccc(F)cc1F ZINC000034907276 208115563 /nfs/dbraw/zinc/11/55/63/208115563.db2.gz FXCIJVLGCSSUQR-DHZHZOJOSA-N 0 0 353.372 4.365 10 0 FIAERN O=C(CSc1ccccc1F)c1ccc(I)cc1 ZINC000034980791 208118079 /nfs/dbraw/zinc/11/80/79/208118079.db2.gz VQVVBELRKBOKKP-UHFFFAOYSA-N 0 0 372.202 4.405 10 0 FIAERN CS(=O)(=O)N(Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000036247437 208152830 /nfs/dbraw/zinc/15/28/30/208152830.db2.gz LJKROZGDLFPSAH-UHFFFAOYSA-N 0 0 374.687 4.069 10 0 FIAERN CCOc1c(O)ccc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)C)nc21 ZINC000039124348 208207576 /nfs/dbraw/zinc/20/75/76/208207576.db2.gz LPDQBTTWTDJMNH-UHFFFAOYSA-N 0 0 358.825 4.267 10 0 FIAERN O=C(c1c[nH]c2cc(F)ccc12)c1ccccc1I ZINC000037368088 208178807 /nfs/dbraw/zinc/17/88/07/208178807.db2.gz AMTURZFVLCFILR-UHFFFAOYSA-N 0 0 365.145 4.143 10 0 FIAERN Nc1cc(Br)c(OCCc2ccccc2)c(Br)c1 ZINC000037428764 208180014 /nfs/dbraw/zinc/18/00/14/208180014.db2.gz MSPWYDMZLKTYHG-UHFFFAOYSA-N 0 0 371.072 4.415 10 0 FIAERN CC(C)CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000073652936 208188552 /nfs/dbraw/zinc/18/85/52/208188552.db2.gz IEJCDGUNRFKHEJ-UHFFFAOYSA-N 0 0 356.507 4.279 10 0 FIAERN O=C(CCCn1cc(Br)cn1)c1ccc(Br)cc1 ZINC000038054521 208199161 /nfs/dbraw/zinc/19/91/61/208199161.db2.gz PVUIELWAAQFTIQ-UHFFFAOYSA-N 0 0 372.060 4.071 10 0 FIAERN O=C(NC1CCCC1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000040180278 208242072 /nfs/dbraw/zinc/24/20/72/208242072.db2.gz VHLJAOQGTHATGS-UHFFFAOYSA-N 0 0 366.852 4.260 10 0 FIAERN CC(C)c1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000040180037 208242199 /nfs/dbraw/zinc/24/21/99/208242199.db2.gz BLPRRHOUKAHNKU-UHFFFAOYSA-N 0 0 368.868 4.017 10 0 FIAERN O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)N1CCCCC1 ZINC000040225902 208243157 /nfs/dbraw/zinc/24/31/57/208243157.db2.gz HGVCBCJOPMFNDI-UHFFFAOYSA-N 0 0 367.880 4.293 10 0 FIAERN CCCCSc1nnc(NC(=O)c2ccc(Br)cc2)s1 ZINC000039989185 208216290 /nfs/dbraw/zinc/21/62/90/208216290.db2.gz DEMMTHIDWQARNX-UHFFFAOYSA-N 0 0 372.313 4.445 10 0 FIAERN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nc3ccccc32)cc1 ZINC000040196991 208241023 /nfs/dbraw/zinc/24/10/23/208241023.db2.gz LCNVCZDZWLMCQW-UHFFFAOYSA-N 0 0 361.470 4.385 10 0 FIAERN COc1ccc(Oc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1 ZINC000040797738 208271323 /nfs/dbraw/zinc/27/13/23/208271323.db2.gz YXXYAZJZTLUJRF-UHFFFAOYSA-N 0 0 360.776 4.396 10 0 FIAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779410 208271530 /nfs/dbraw/zinc/27/15/30/208271530.db2.gz YALVZQYBGWMAGO-UHFFFAOYSA-N 0 0 361.236 4.116 10 0 FIAERN Cc1cc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc(C)c1Cl ZINC000040912597 208274435 /nfs/dbraw/zinc/27/44/35/208274435.db2.gz PEKNMKLGEKHNOS-UHFFFAOYSA-N 0 0 361.825 4.483 10 0 FIAERN CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccc(C)cc1 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O=C(Cn1c2ccccc2nc1C1CC1)Nc1cccc(Br)c1 ZINC000040295922 208246415 /nfs/dbraw/zinc/24/64/15/208246415.db2.gz WBPYHYZXRCIIOM-UHFFFAOYSA-N 0 0 370.250 4.315 10 0 FIAERN Cc1nnc(Cc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)o1 ZINC000040324016 208246949 /nfs/dbraw/zinc/24/69/49/208246949.db2.gz QQBIPNIWNHAYTO-UHFFFAOYSA-N 0 0 365.364 4.415 10 0 FIAERN Cc1cc(Nc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)no1 ZINC000040680830 208260519 /nfs/dbraw/zinc/26/05/19/208260519.db2.gz XCHLQEQMOYXSOV-UHFFFAOYSA-N 0 0 351.197 4.149 10 0 FIAERN COc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3OC)c2N)cc1 ZINC000040702446 208263883 /nfs/dbraw/zinc/26/38/83/208263883.db2.gz JOBXCCMUXNMIPZ-UHFFFAOYSA-N 0 0 371.828 4.217 10 0 FIAERN Cc1ccc2cccc(Nc3ncnc(Nc4ncccc4C)c3N)c2n1 ZINC000040757974 208267431 /nfs/dbraw/zinc/26/74/31/208267431.db2.gz PFSZJVJUICZTHS-UHFFFAOYSA-N 0 0 357.421 4.106 10 0 FIAERN Nc1c(Nc2cccc(Br)c2)[nH]cnc1=NNc1ccccc1 ZINC000040757572 208267946 /nfs/dbraw/zinc/26/79/46/208267946.db2.gz JXROIYXWLVQRRN-UHFFFAOYSA-N 0 0 371.242 4.004 10 0 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COc1cccc([C@H]2CCCN2c2ccc(-c3nc(C4CC4)no3)cn2)c1 ZINC000020599941 524177522 /nfs/dbraw/zinc/17/75/22/524177522.db2.gz QOTFCGPFAUEKMB-GOSISDBHSA-N 0 0 362.433 4.359 10 0 FIAERN COc1ccc([C@@H](CC(=O)Nc2cccc(C(C)=O)c2)n2cccc2)cc1 ZINC000020997558 525171738 /nfs/dbraw/zinc/17/17/38/525171738.db2.gz DCHCCBYIYWABJI-OAQYLSRUSA-N 0 0 362.429 4.318 10 0 FIAERN Cc1ccc([C@@H]2N(c3ccc(Br)cc3)C(=O)C2(F)F)cc1 ZINC000040539807 525861069 /nfs/dbraw/zinc/86/10/69/525861069.db2.gz DVRGFFYDNFPMGH-AWEZNQCLSA-N 0 0 352.178 4.481 10 0 FIAERN Cc1ccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)cc1-c1ncco1 ZINC000161610289 567958497 /nfs/dbraw/zinc/95/84/97/567958497.db2.gz AOIOYVDCRUUMKO-RBUKOAKNSA-N 0 0 363.417 4.302 10 0 FIAERN Cc1cccc([C@@H]2CCCCN2C(=O)Nc2cn(C)c(=O)cc2C)c1C ZINC000161997895 567979114 /nfs/dbraw/zinc/97/91/14/567979114.db2.gz OHUALWKKEVOAIQ-IBGZPJMESA-N 0 0 353.466 4.070 10 0 FIAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000198465752 567991268 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O=C(Nc1nc2ccccc2s1)c1cc2cc(Cl)ccc2oc1=O ZINC000000971753 571140907 /nfs/dbraw/zinc/14/09/07/571140907.db2.gz WVLDBQSKMQVRKY-UHFFFAOYSA-N 0 0 356.790 4.308 10 0 FIAERN CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CCC(=O)[C@@]4(C)C(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000005639417 571307982 /nfs/dbraw/zinc/30/79/82/571307982.db2.gz NNHQNBHUTYESDN-HFRMGFPMSA-N 0 0 372.505 4.409 10 0 FIAERN Cc1cccc2c(N[C@@H](c3nc(C(C)C)no3)C3CCOCC3)ncnc12 ZINC000328609663 571324173 /nfs/dbraw/zinc/32/41/73/571324173.db2.gz FMHWSEZYXFPEKY-QGZVFWFLSA-N 0 0 367.453 4.024 10 0 FIAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ncccc1C(F)(F)F)CCCC2 ZINC000328629937 571325185 /nfs/dbraw/zinc/32/51/85/571325185.db2.gz IUVNPPMTOCOJND-KRWDZBQOSA-N 0 0 364.415 4.050 10 0 FIAERN Cc1scc(CCNC(=O)Nc2ccccc2Br)c1C ZINC000021088264 571332524 /nfs/dbraw/zinc/33/25/24/571332524.db2.gz BHSSTSLPAFTGNR-UHFFFAOYSA-N 0 0 353.285 4.492 10 0 FIAERN CCc1nc2cccnc2n1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000015681960 571346240 /nfs/dbraw/zinc/34/62/40/571346240.db2.gz 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C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000246638442 1083310861 /nfs/dbraw/zinc/31/08/61/1083310861.db2.gz ZXZGOSQDMPYZEH-YVWKXTFCSA-N 0 0 369.509 4.384 10 0 FIAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000151387675 1083971898 /nfs/dbraw/zinc/97/18/98/1083971898.db2.gz RXZZTTDUNIMFBW-GFCCVEGCSA-N 0 0 364.902 4.274 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CCO2)o1 ZINC000151808504 1084297658 /nfs/dbraw/zinc/29/76/58/1084297658.db2.gz JTYKNLOTCXFUIA-WBVHZDCISA-N 0 0 367.367 4.224 10 0 FIAERN COCc1ccccc1NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000152126870 1084587045 /nfs/dbraw/zinc/58/70/45/1084587045.db2.gz FWBKIOGHJPSRTP-YJBOKZPZSA-N 0 0 354.450 4.252 10 0 FIAERN Cc1cc([C@@H]2CCCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)C2)[nH]n1 ZINC000332703750 1084784087 /nfs/dbraw/zinc/78/40/87/1084784087.db2.gz FHCPFCGXXOIDKV-OGWOLHLISA-N 0 0 352.482 4.246 10 0 FIAERN C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000332912210 1084993149 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CCC(CC)C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000033252200 208077108 /nfs/dbraw/zinc/07/71/08/208077108.db2.gz GXEILEDXVXIJFQ-UHFFFAOYSA-N 0 0 369.509 4.039 10 0 FIAERN COc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000033593364 208095624 /nfs/dbraw/zinc/09/56/24/208095624.db2.gz YCISQXDZPLKJHE-POHAHGRESA-N 0 0 360.866 4.183 10 0 FIAERN CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000034795005 208109988 /nfs/dbraw/zinc/10/99/88/208109988.db2.gz YKZOPKKJTMSBFT-UHFFFAOYSA-N 0 0 369.396 4.048 10 0 FIAERN Cc1cc(C)cc(C(=O)N2CCC(n3cnc4ccc(F)cc43)CC2)c1 ZINC000034915253 208114730 /nfs/dbraw/zinc/11/47/30/208114730.db2.gz OJTIDOZAKHZGDD-UHFFFAOYSA-N 0 0 351.425 4.270 10 0 FIAERN Brc1ccc(Cn2ccc3nc(-c4ccncc4)nc-3c2)cc1 ZINC000035015323 208118327 /nfs/dbraw/zinc/11/83/27/208118327.db2.gz UVHCJCVIVUNYBE-UHFFFAOYSA-N 0 0 365.234 4.256 10 0 FIAERN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(Br)c[nH]1 ZINC000035179615 208119773 /nfs/dbraw/zinc/11/97/73/208119773.db2.gz ZIWMWARMKSKQHL-UHFFFAOYSA-N 0 0 356.632 4.293 10 0 FIAERN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063910 208142643 /nfs/dbraw/zinc/14/26/43/208142643.db2.gz DJDKMOXEFWDSDS-SFHVURJKSA-N 0 0 371.525 4.416 10 0 FIAERN Nc1cccc(Br)c1COc1ccccc1Br ZINC000037402239 208181138 /nfs/dbraw/zinc/18/11/38/208181138.db2.gz YNVYVJYFYPCCOA-UHFFFAOYSA-N 0 0 357.045 4.373 10 0 FIAERN COC(=O)c1sc(Nc2cc(Br)ccc2F)nc1Cl ZINC000037579402 208184390 /nfs/dbraw/zinc/18/43/90/208184390.db2.gz HCAQIAIJYFMWEX-UHFFFAOYSA-N 0 0 365.611 4.228 10 0 FIAERN C=CC(=O)NCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040194113 208241754 /nfs/dbraw/zinc/24/17/54/208241754.db2.gz FLSCTRPWZRWZGW-UHFFFAOYSA-N 0 0 363.461 4.041 10 0 FIAERN CCCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000040179885 208241914 /nfs/dbraw/zinc/24/19/14/208241914.db2.gz IHYLHOPYOAJNHK-UHFFFAOYSA-N 0 0 354.841 4.434 10 0 FIAERN Nc1c(Nc2ccc(Br)cc2)ncnc1OC1CCCCC1 ZINC000040782334 208271363 /nfs/dbraw/zinc/27/13/63/208271363.db2.gz CPIDYELNIKVRHE-UHFFFAOYSA-N 0 0 363.259 4.276 10 0 FIAERN CCc1cc(Br)ccc1OCC(=O)Nc1nc(C)c(C)s1 ZINC000040944196 208276327 /nfs/dbraw/zinc/27/63/27/208276327.db2.gz GFOITCUDIZMGFW-UHFFFAOYSA-N 0 0 369.284 4.102 10 0 FIAERN COC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1-c1ccc(F)cc1 ZINC000041011290 208278983 /nfs/dbraw/zinc/27/89/83/208278983.db2.gz NYMVZAISKOQGIZ-UHFFFAOYSA-N 0 0 361.316 4.150 10 0 FIAERN CCOc1ccc(CCC(=O)Nc2ccc(OC(C)C)cc2)cc1OC ZINC000040999929 208279012 /nfs/dbraw/zinc/27/90/12/208279012.db2.gz ZLVSFAQWKBRQKS-UHFFFAOYSA-N 0 0 357.450 4.452 10 0 FIAERN CC(=O)NCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040274166 208245342 /nfs/dbraw/zinc/24/53/42/208245342.db2.gz GTZRCIMMTSGBPJ-UHFFFAOYSA-N 0 0 365.477 4.049 10 0 FIAERN Cc1cc2nc(CO)n(CCOc3cc(C)c(Cl)c(C)c3)c2cc1C ZINC000040308955 208247816 /nfs/dbraw/zinc/24/78/16/208247816.db2.gz OBYGBSDGKSDTMQ-UHFFFAOYSA-N 0 0 358.869 4.495 10 0 FIAERN Cc1ccccc1NC(=O)CSc1ncc(Br)cc1C ZINC000040384157 208248745 /nfs/dbraw/zinc/24/87/45/208248745.db2.gz QBTDZVFSWJUSDF-UHFFFAOYSA-N 0 0 351.269 4.192 10 0 FIAERN CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359700 208249386 /nfs/dbraw/zinc/24/93/86/208249386.db2.gz YRUXXSAANKOGKP-UHFFFAOYSA-N 0 0 358.800 4.375 10 0 FIAERN OCCn1c(COc2cccc3ccccc32)nc2ccc(Cl)cc21 ZINC000040401106 208251524 /nfs/dbraw/zinc/25/15/24/208251524.db2.gz BOBQMEVUNFIDGQ-UHFFFAOYSA-N 0 0 352.821 4.414 10 0 FIAERN Cc1cccc(Nc2ncnc(Nc3cccc(Br)c3)c2N)n1 ZINC000040685713 208261274 /nfs/dbraw/zinc/26/12/74/208261274.db2.gz SKVKEYFPXGVEIQ-UHFFFAOYSA-N 0 0 371.242 4.012 10 0 FIAERN Cc1ccc(Cl)cc1Nc1ncnc(-n2cnc3ccccc32)c1N ZINC000040705139 208262812 /nfs/dbraw/zinc/26/28/12/208262812.db2.gz KIAFHSWGSLGLPO-UHFFFAOYSA-N 0 0 350.813 4.103 10 0 FIAERN CCOc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040735685 208264762 /nfs/dbraw/zinc/26/47/62/208264762.db2.gz GCPLHVGBDJPHFQ-UHFFFAOYSA-N 0 0 357.502 4.320 10 0 FIAERN Cc1cccc2sc(Nc3ncnc(N4CCCCCC4)c3N)nc21 ZINC000040725545 208265116 /nfs/dbraw/zinc/26/51/16/208265116.db2.gz IVOWYFPJZIYMSA-UHFFFAOYSA-N 0 0 354.483 4.101 10 0 FIAERN CN(c1ccccc1)c1ncnc(Nc2cccc(Br)c2)c1N ZINC000040757858 208267354 /nfs/dbraw/zinc/26/73/54/208267354.db2.gz RMQVFEZBVUEHTG-UHFFFAOYSA-N 0 0 370.254 4.333 10 0 FIAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)nc1 ZINC000040752367 208267887 /nfs/dbraw/zinc/26/78/87/208267887.db2.gz HISAZHLEQXJSDW-UHFFFAOYSA-N 0 0 358.405 4.155 10 0 FIAERN Nc1c(Nc2nc3ccccc3s2)ncnc1Nc1ccc(Cl)cn1 ZINC000040760995 208268053 /nfs/dbraw/zinc/26/80/53/208268053.db2.gz FQDSTYLASPVDLS-UHFFFAOYSA-N 0 0 369.841 4.204 10 0 FIAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1NC12CC3CC(CC(C3)C1)C2 ZINC000040755847 208268510 /nfs/dbraw/zinc/26/85/10/208268510.db2.gz FLWQCGJVBZAURT-UHFFFAOYSA-N 0 0 371.435 4.461 10 0 FIAERN Cc1csc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1 ZINC000040828333 208270219 /nfs/dbraw/zinc/27/02/19/208270219.db2.gz QNWXUDXPFLLONT-UHFFFAOYSA-N 0 0 354.460 4.388 10 0 FIAERN Nc1c(Nc2ncc(C(F)(F)F)cc2Cl)ncnc1NC1CCCC1 ZINC000040800498 208270741 /nfs/dbraw/zinc/27/07/41/208270741.db2.gz PHLAJLLJIBBLPF-UHFFFAOYSA-N 0 0 372.782 4.224 10 0 FIAERN O=C(Nc1cccc(Cl)c1)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000041055830 208281049 /nfs/dbraw/zinc/28/10/49/208281049.db2.gz OOFXZWIFRFNZAG-UHFFFAOYSA-N 0 0 366.726 4.453 10 0 FIAERN Cc1nc(C2(NC(=O)CCc3cccc(Cl)c3Cl)CCCC2)no1 ZINC000042878417 208298493 /nfs/dbraw/zinc/29/84/93/208298493.db2.gz TUDNTGFECOQHGD-UHFFFAOYSA-N 0 0 368.264 4.203 10 0 FIAERN CCO[C@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1ccccc1 ZINC000299749617 208357009 /nfs/dbraw/zinc/35/70/09/208357009.db2.gz LAFXTQZREXFDAS-OTWHNJEPSA-N 0 0 350.418 4.441 10 0 FIAERN O=C(Cc1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000046325378 208362289 /nfs/dbraw/zinc/36/22/89/208362289.db2.gz GEORUOVOICOHLD-OAQYLSRUSA-N 0 0 370.456 4.260 10 0 FIAERN CCOC(=O)c1cnc2c(Br)cc(C)cc2c1Br ZINC000047913148 208384566 /nfs/dbraw/zinc/38/45/66/208384566.db2.gz AEFTXGOBAQWWCM-UHFFFAOYSA-N 0 0 373.044 4.245 10 0 FIAERN Cc1cc(C)n(CC(=O)Nc2ccc(C)cc2F)c1-c1nc(C2CC2)no1 ZINC000065186039 208641465 /nfs/dbraw/zinc/64/14/65/208641465.db2.gz ZOESPZVFEWBEPE-UHFFFAOYSA-N 0 0 368.412 4.119 10 0 FIAERN O=C(Nc1ccccc1)c1nn(C(=O)c2cccc(F)c2)c2ccccc12 ZINC000072178499 208825216 /nfs/dbraw/zinc/82/52/16/208825216.db2.gz ZFSUULYXGFVPST-UHFFFAOYSA-N 0 0 359.360 4.116 10 0 FIAERN CCOC(=O)c1cnn2c1N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000096028657 209096592 /nfs/dbraw/zinc/09/65/92/209096592.db2.gz ZUZDLCHHRGAPEJ-KGLIPLIRSA-N 0 0 353.344 4.029 10 0 FIAERN CSc1nccc(OCCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095076734 209018844 /nfs/dbraw/zinc/01/88/44/209018844.db2.gz SINJXUXTSDKWKK-CQSZACIVSA-N 0 0 367.515 4.005 10 0 FIAERN CC(C)(C)OC(=O)N1CCCC[C@H]1COc1cccc(Br)n1 ZINC000095086579 209020225 /nfs/dbraw/zinc/02/02/25/209020225.db2.gz ZABVJMUGKLQEKE-LBPRGKRZSA-N 0 0 371.275 4.013 10 0 FIAERN Cc1ccc(-n2c(CNCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000061704739 221134711 /nfs/dbraw/zinc/13/47/11/221134711.db2.gz HBOQHWRSATUZBC-UHFFFAOYSA-N 0 0 373.431 4.123 10 0 FIAERN O=C(/C=C\c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000096507715 132225589 /nfs/dbraw/zinc/22/55/89/132225589.db2.gz QLEVWGBNSRNYGD-YHYXMXQVSA-N 0 0 361.272 4.355 10 0 FIAERN O=C(c1ccc(N2CCSc3ncccc32)s1)N1CCCCCC1 ZINC000015769823 132879119 /nfs/dbraw/zinc/87/91/19/132879119.db2.gz MXYDKURJAPACBA-UHFFFAOYSA-N 0 0 359.520 4.403 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000030546531 132921802 /nfs/dbraw/zinc/92/18/02/132921802.db2.gz HMFNIXVWQZACSO-GOSISDBHSA-N 0 0 373.497 4.015 10 0 FIAERN CC1CCN(c2ncnc(Nc3ccc(Cl)cc3Cl)c2N)CC1 ZINC000040732927 136120379 /nfs/dbraw/zinc/12/03/79/136120379.db2.gz JUVNZKCUPOGIQD-UHFFFAOYSA-N 0 0 352.269 4.346 10 0 FIAERN CCCCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442903 136147815 /nfs/dbraw/zinc/14/78/15/136147815.db2.gz NTFKHVHZMOVNIV-UHFFFAOYSA-N 0 0 368.525 4.290 10 0 FIAERN CCc1nc(C2CC2)ncc1-c1ccc(I)cc1 ZINC000090415816 522243388 /nfs/dbraw/zinc/24/33/88/522243388.db2.gz HCDDIYHFRUANRQ-UHFFFAOYSA-N 0 0 350.203 4.188 10 0 FIAERN O=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)c2[nH]ccc21 ZINC000089213082 527604061 /nfs/dbraw/zinc/60/40/61/527604061.db2.gz WLDXYLORQASJMA-UHFFFAOYSA-N 0 0 354.841 4.490 10 0 FIAERN CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000159188395 567910993 /nfs/dbraw/zinc/91/09/93/567910993.db2.gz WONOCAOJNDROAE-YWZLYKJASA-N 0 0 353.510 4.457 10 0 FIAERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC000021815942 568177978 /nfs/dbraw/zinc/17/79/78/568177978.db2.gz HZASVWNMLCXJNN-MRXNPFEDSA-N 0 0 368.296 4.416 10 0 FIAERN CC(C)c1ccc(NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(C(C)C)c1 ZINC000408256552 568206623 /nfs/dbraw/zinc/20/66/23/568206623.db2.gz MCEWQVHTIMKDPC-OAQYLSRUSA-N 0 0 357.498 4.067 10 0 FIAERN CSCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000032614245 568397913 /nfs/dbraw/zinc/39/79/13/568397913.db2.gz BAEUXFYMFSCVKF-HNNXBMFYSA-N 0 0 371.531 4.337 10 0 FIAERN CCNC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012716968 570758318 /nfs/dbraw/zinc/75/83/18/570758318.db2.gz VLLOQQIBLVJBRS-QGZVFWFLSA-N 0 0 354.425 4.117 10 0 FIAERN CC(=O)N(Cc1ccccc1)[C@@H](C(=S)NCc1ccccc1)C(C)C ZINC000022130344 570939852 /nfs/dbraw/zinc/93/98/52/570939852.db2.gz VCQJIXTUWGVQMO-HXUWFJFHSA-N 0 0 354.519 4.177 10 0 FIAERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)OCc1ccccc1)C2 ZINC000261300765 571071742 /nfs/dbraw/zinc/07/17/42/571071742.db2.gz JLRFJZDEYDVKIC-BCDXTJNWSA-N 0 0 374.481 4.091 10 0 FIAERN c1cn(CCCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)cn1 ZINC000015078874 571130233 /nfs/dbraw/zinc/13/02/33/571130233.db2.gz RQOLRBRZFYZPPP-UHFFFAOYSA-N 0 0 362.481 4.285 10 0 FIAERN Cc1ccc(C)c(NC(=O)C2CCN(c3ncccc3-n3cccc3)CC2)c1 ZINC000033034576 571133577 /nfs/dbraw/zinc/13/35/77/571133577.db2.gz QCEZRESNRQYTDY-UHFFFAOYSA-N 0 0 374.488 4.344 10 0 FIAERN Cc1cc(C)c(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)[nH]1 ZINC000019146033 571184954 /nfs/dbraw/zinc/18/49/54/571184954.db2.gz IDAXZCWEJVHALR-IBGZPJMESA-N 0 0 362.477 4.241 10 0 FIAERN Cc1cc(-c2nc(C3CC3)no2)c(C)n1CC(=O)Nc1cccc(C)c1C ZINC000065195001 571256381 /nfs/dbraw/zinc/25/63/81/571256381.db2.gz DXFAJLYDDIGUSU-UHFFFAOYSA-N 0 0 364.449 4.288 10 0 FIAERN O=C1C2=NN(Cc3ccccc3)[C@H](c3ccccc3)[C@@H]2CN1C1CCCCC1 ZINC000048522787 571308670 /nfs/dbraw/zinc/30/86/70/571308670.db2.gz ISGMNIMPQHJGON-FYYLOGMGSA-N 0 0 373.500 4.391 10 0 FIAERN CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 ZINC000048524611 571308681 /nfs/dbraw/zinc/30/86/81/571308681.db2.gz ODZQCELVGUSIEL-UWJYYQICSA-N 0 0 352.434 4.374 10 0 FIAERN Cc1cccc2c(N[C@H](c3nc(C(C)C)no3)C3CCOCC3)ncnc12 ZINC000328609655 571324159 /nfs/dbraw/zinc/32/41/59/571324159.db2.gz FMHWSEZYXFPEKY-KRWDZBQOSA-N 0 0 367.453 4.024 10 0 FIAERN Cc1cc(C)cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1 ZINC000276385442 571326211 /nfs/dbraw/zinc/32/62/11/571326211.db2.gz ZRUMDMROVGBUMM-DYESRHJHSA-N 0 0 353.466 4.004 10 0 FIAERN CCOC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl ZINC000022059156 571336365 /nfs/dbraw/zinc/33/63/65/571336365.db2.gz IUEWUYINGXDEMW-UHFFFAOYSA-N 0 0 359.230 4.228 10 0 in-vitro FIAERN O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1 ZINC000014946550 581098067 /nfs/dbraw/zinc/09/80/67/581098067.db2.gz QPJBZGJXBJLNQV-UHFFFAOYSA-N 0 0 354.413 4.494 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)s3)C2)c1 ZINC000111819759 1079900549 /nfs/dbraw/zinc/90/05/49/1079900549.db2.gz CPWGOYWCFULDJR-OLZOCXBDSA-N 0 0 352.891 4.014 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](C)CC(C)(C)c3ccccc3)C2)c1 ZINC000111842853 1079900890 /nfs/dbraw/zinc/90/08/90/1079900890.db2.gz SUBOJSSSKLROIX-ICSRJNTNSA-N 0 0 368.525 4.294 10 0 FIAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151811743 1080225235 /nfs/dbraw/zinc/22/52/35/1080225235.db2.gz DOGIAGFWEVIXAI-RHSMWYFYSA-N 0 0 356.388 4.173 10 0 FIAERN C[C@@]1(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1(Cl)Cl ZINC000152546054 1085031217 /nfs/dbraw/zinc/03/12/17/1085031217.db2.gz CRAPMQXIBKIYHL-HOCLYGCPSA-N 0 0 353.224 4.010 10 0 FIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1oc2ccc(F)cc2c1C ZINC000408119745 1085168079 /nfs/dbraw/zinc/16/80/79/1085168079.db2.gz OBXUUJWTGNSWQX-MRXNPFEDSA-N 0 0 355.413 4.208 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000408128336 1085206771 /nfs/dbraw/zinc/20/67/71/1085206771.db2.gz IVXQOCWCSYSPDZ-GGBBIFEXSA-N 0 0 368.880 4.265 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(N4CCCC4)cc3C)CCO2)o1 ZINC000153083797 1085440240 /nfs/dbraw/zinc/44/02/40/1085440240.db2.gz NYEWZKAWCPDDLF-HXUWFJFHSA-N 0 0 369.465 4.102 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1Cl ZINC000408179174 1085608101 /nfs/dbraw/zinc/60/81/01/1085608101.db2.gz XGEDGBYRQCJFJC-XFHKCVFHSA-N 0 0 368.880 4.265 10 0 FIAERN O=C(CC/C=C/c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000155103563 1086476972 /nfs/dbraw/zinc/47/69/72/1086476972.db2.gz AUOUVWUWWXHFJR-WUXMJOGZSA-N 0 0 368.521 4.121 10 0 FIAERN Cc1csc(C2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)n1 ZINC000156742646 1086754271 /nfs/dbraw/zinc/75/42/71/1086754271.db2.gz GNLXRCLVIYQSSI-UHFFFAOYSA-N 0 0 357.523 4.195 10 0 FIAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000245567028 1086799422 /nfs/dbraw/zinc/79/94/22/1086799422.db2.gz RPGMXNRXOZNHEN-SJORKVTESA-N 0 0 369.513 4.332 10 0 FIAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000157081816 1086846975 /nfs/dbraw/zinc/84/69/75/1086846975.db2.gz NQNDSSCKIGLZNI-INIZCTEOSA-N 0 0 368.525 4.368 10 0 FIAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1C(F)(F)F ZINC000408346427 1086849838 /nfs/dbraw/zinc/84/98/38/1086849838.db2.gz RKMMQONUSXMBMD-PMUMKWKESA-N 0 0 370.415 4.103 10 0 FIAERN C[C@@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000158815799 1087155867 /nfs/dbraw/zinc/15/58/67/1087155867.db2.gz QEBOHTZCBBTOBE-QAPCUYQASA-N 0 0 351.450 4.278 10 0 FIAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(Cl)s1 ZINC000093139948 1087452465 /nfs/dbraw/zinc/45/24/65/1087452465.db2.gz XKKUUSPVZLIBRN-DRABBMOASA-N 0 0 354.903 4.109 10 0 FIAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000152754975 1087605142 /nfs/dbraw/zinc/60/51/42/1087605142.db2.gz YSAWNPXNHFLXFW-NCXUSEDFSA-N 0 0 370.493 4.080 10 0 FIAERN O=C(Cc1csc(-c2cccnc2)n1)N1CC=C(c2ccccc2)CC1 ZINC000105180836 1088061416 /nfs/dbraw/zinc/06/14/16/1088061416.db2.gz HAXLINHZURCSQG-UHFFFAOYSA-N 0 0 361.470 4.064 10 0 FIAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000407978624 1088590962 /nfs/dbraw/zinc/59/09/62/1088590962.db2.gz BSGIYRZDIPUJLM-ZSBIGDGJSA-N 0 0 363.255 4.139 10 0 FIAERN Cc1csc([C@H]2CN(C(=O)Nc3c(Cl)ccc(C)c3C)CCO2)n1 ZINC000407983677 1088620294 /nfs/dbraw/zinc/62/02/94/1088620294.db2.gz DVQRJOBDNRFYSF-CQSZACIVSA-N 0 0 365.886 4.327 10 0 FIAERN O=C(Nc1nc2c(s1)CCCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000407991199 1088667349 /nfs/dbraw/zinc/66/73/49/1088667349.db2.gz SXJJISRJMNCEQZ-OAHLLOKOSA-N 0 0 367.478 4.267 10 0 FIAERN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000179184792 1088742657 /nfs/dbraw/zinc/74/26/57/1088742657.db2.gz QWKGHCBEKGSURL-IIBYNOLFSA-N 0 0 370.880 4.169 10 0 FIAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179649285 1088760780 /nfs/dbraw/zinc/76/07/80/1088760780.db2.gz QXSHQSZSWPTPOX-QZTJIDSGSA-N 0 0 356.445 4.090 10 0 FIAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000180302931 1088770204 /nfs/dbraw/zinc/77/02/04/1088770204.db2.gz IKJOXNMQLVBFLF-NJZAAPMLSA-N 0 0 374.378 4.460 10 0 FIAERN CC(C)c1nc([C@H]2CCCN(C(=O)c3csc4c3CCCC4)C2)no1 ZINC000408012438 1088785763 /nfs/dbraw/zinc/78/57/63/1088785763.db2.gz IXOMVTOQGDFNFY-ZDUSSCGKSA-N 0 0 359.495 4.153 10 0 FIAERN Cc1csc(-c2cccc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)c2)n1 ZINC000122685571 1088933787 /nfs/dbraw/zinc/93/37/87/1088933787.db2.gz GWPUIWIAJYZGEK-QGZVFWFLSA-N 0 0 352.463 4.209 10 0 FIAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183206518 1088976863 /nfs/dbraw/zinc/97/68/63/1088976863.db2.gz LFHJDFCQRNGHFL-BRWVUGGUSA-N 0 0 373.545 4.066 10 0 FIAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1)CCCC2 ZINC000408038274 1089120813 /nfs/dbraw/zinc/12/08/13/1089120813.db2.gz LXUDDHJRGZIBNR-OAHLLOKOSA-N 0 0 372.538 4.030 10 0 FIAERN Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000408057565 1089914439 /nfs/dbraw/zinc/91/44/39/1089914439.db2.gz WGTLWKAILQQTRB-FVJLSDCUSA-N 0 0 359.441 4.426 10 0 FIAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)cc2cccnc21 ZINC000408059754 1089947151 /nfs/dbraw/zinc/94/71/51/1089947151.db2.gz BQDOTUFTGSRUIY-LQWHRVPQSA-N 0 0 372.896 4.434 10 0 FIAERN CC[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000247088240 1090160342 /nfs/dbraw/zinc/16/03/42/1090160342.db2.gz RJWPTNHTDMCBQQ-IEZWGBDMSA-N 0 0 350.890 4.128 10 0 FIAERN Cc1nc([C@@H]2CCCN2C(=O)c2cnn(-c3cccc(C)c3)c2C)cs1 ZINC000330228817 1090592923 /nfs/dbraw/zinc/59/29/23/1090592923.db2.gz VOWXUKVKIMGXFS-IBGZPJMESA-N 0 0 366.490 4.231 10 0 FIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000106209658 1091695637 /nfs/dbraw/zinc/69/56/37/1091695637.db2.gz BPCWKNUPZOUFKD-UONOGXRCSA-N 0 0 357.483 4.047 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000162733969 1091801784 /nfs/dbraw/zinc/80/17/84/1091801784.db2.gz CAOFCBXTVBYVKA-UHFFFAOYSA-N 0 0 367.280 4.214 10 0 FIAERN Cc1cc(-c2cc(C(=O)N3CC[C@H]4CCC[C@H]43)c3c(C)noc3n2)c(C)o1 ZINC000408378571 1091967292 /nfs/dbraw/zinc/96/72/92/1091967292.db2.gz VYZGFWVETMEZGR-RDTXWAMCSA-N 0 0 365.433 4.423 10 0 FIAERN CC[C@H](CC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000112306535 1092026002 /nfs/dbraw/zinc/02/60/02/1092026002.db2.gz QSYUFCPHVAMEBH-QGZVFWFLSA-N 0 0 370.518 4.007 10 0 FIAERN O=C(NC1CCC(C(F)(F)F)CC1)NC1CCC2(CCOCC2)CC1 ZINC000408413013 1092720396 /nfs/dbraw/zinc/72/03/96/1092720396.db2.gz FEMSIFCBLXYIKE-UHFFFAOYSA-N 0 0 362.436 4.146 10 0 FIAERN C[C@@H](NC(=O)NC1CCC2(CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000408416797 1092733832 /nfs/dbraw/zinc/73/38/32/1092733832.db2.gz WHZNVAOQCHLZNS-CYBMUJFWSA-N 0 0 352.425 4.064 10 0 FIAERN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408421638 1092767931 /nfs/dbraw/zinc/76/79/31/1092767931.db2.gz MDNYIMSRHHXMQO-QFYYESIMSA-N 0 0 361.244 4.291 10 0 FIAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000332843455 1092939082 /nfs/dbraw/zinc/93/90/82/1092939082.db2.gz PBUJVLLXQFMBPZ-GZBFAFLISA-N 0 0 358.408 4.015 10 0 FIAERN CC(C)c1nnc2ccc(NC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cn21 ZINC000332934341 1092966320 /nfs/dbraw/zinc/96/63/20/1092966320.db2.gz CLYPFOYHIZHFQI-RYUDHWBXSA-N 0 0 369.391 4.095 10 0 FIAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333042366 1093450453 /nfs/dbraw/zinc/45/04/53/1093450453.db2.gz AQSQMQPJSBFGIF-RQFHDDNTSA-N 0 0 358.530 4.085 10 0 FIAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248201072 1093575407 /nfs/dbraw/zinc/57/54/07/1093575407.db2.gz YSAWNPXNHFLXFW-MANSERQUSA-N 0 0 370.493 4.080 10 0 FIAERN CCO[C@@H]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)C[C@H]1C ZINC000333293591 1093868336 /nfs/dbraw/zinc/86/83/36/1093868336.db2.gz BEWMQURSZCCUSY-UKRRQHHQSA-N 0 0 351.516 4.470 10 0 FIAERN Cc1c(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cnn1-c1ccccc1F ZINC000333308458 1093892557 /nfs/dbraw/zinc/89/25/57/1093892557.db2.gz DIBXOPSYSQJNSQ-KQDGPHEJSA-N 0 0 368.456 4.220 10 0 FIAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000246556216 1094030379 /nfs/dbraw/zinc/03/03/79/1094030379.db2.gz BFFMEPUMEKDOAA-XUEUYAKLSA-N 0 0 352.478 4.237 10 0 FIAERN C[C@@]12CN(C(=O)Nc3ccc(-c4nncs4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333542868 1094372631 /nfs/dbraw/zinc/37/26/31/1094372631.db2.gz ARLRHTCICSCCPF-DZASIIFFSA-N 0 0 354.479 4.105 10 0 FIAERN C[C@@]12CN(C(=O)Nc3ccc(-c4nncs4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333542866 1094372809 /nfs/dbraw/zinc/37/28/09/1094372809.db2.gz ARLRHTCICSCCPF-DFHZNHDVSA-N 0 0 354.479 4.105 10 0 FIAERN Cc1csc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000329093534 1094736143 /nfs/dbraw/zinc/73/61/43/1094736143.db2.gz KFCBOYPFZRSRQO-QGZVFWFLSA-N 0 0 370.453 4.348 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)c1nnc(-c2cccs2)o1 ZINC000329134349 1094752275 /nfs/dbraw/zinc/75/22/75/1094752275.db2.gz BPCWKNUPZOUFKD-KGLIPLIRSA-N 0 0 357.483 4.047 10 0 FIAERN O=c1nc(Cc2noc(C3CCCCC3)n2)[nH]c2sc3c(c21)CCCC3 ZINC000329562114 1094975190 /nfs/dbraw/zinc/97/51/90/1094975190.db2.gz JKJPQRNGWVOURK-UHFFFAOYSA-N 0 0 370.478 4.297 10 0 FIAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2CCC(C(F)(F)F)CC2)no1 ZINC000329897570 1095307266 /nfs/dbraw/zinc/30/72/66/1095307266.db2.gz LLAZBEDYJXECBB-WXRRBKDZSA-N 0 0 359.392 4.225 10 0 FIAERN O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000330245263 1095433777 /nfs/dbraw/zinc/43/37/77/1095433777.db2.gz KPBBNUIJWHXDDC-ABAIWWIYSA-N 0 0 365.264 4.254 10 0 FIAERN O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246143366 1099027513 /nfs/dbraw/zinc/02/75/13/1099027513.db2.gz PSTAKAULBWVJLI-FVQBIDKESA-N 0 0 368.399 4.261 10 0 FIAERN CC(=O)N(C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000072588553 1099347486 /nfs/dbraw/zinc/34/74/86/1099347486.db2.gz SKADIIYZMUUQBG-UHFFFAOYSA-N 0 0 355.463 4.052 10 0 FIAERN C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)[C@@H](c2ccco2)C1 ZINC000075390394 1099367116 /nfs/dbraw/zinc/36/71/16/1099367116.db2.gz VKGDWMCCPXXYMX-QFBILLFUSA-N 0 0 366.461 4.015 10 0 FIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)c3ncc(C)s3)C2)cc1 ZINC000246554066 1099368730 /nfs/dbraw/zinc/36/87/30/1099368730.db2.gz GWUADRYSRVLUAK-XNRPHZJLSA-N 0 0 359.495 4.109 10 0 FIAERN C[C@H](C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1)c1cccnc1 ZINC000246668007 1099372246 /nfs/dbraw/zinc/37/22/46/1099372246.db2.gz LDKAPVLBGGCPDY-DZFGPLHGSA-N 0 0 352.478 4.080 10 0 FIAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247667211 1099392218 /nfs/dbraw/zinc/39/22/18/1099392218.db2.gz YDXKJVYDSBCKFS-JZXOWHBKSA-N 0 0 373.497 4.059 10 0 FIAERN Cc1ccc(C)c([C@H]2CN(Cc3nnc(C4CC4)n3C3CC3)[C@@H](C)CO2)c1 ZINC000248385787 1099399353 /nfs/dbraw/zinc/39/93/53/1099399353.db2.gz JYRYBNAXPLUGPO-OXJNMPFZSA-N 0 0 366.509 4.069 10 0 FIAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000249490037 1099417880 /nfs/dbraw/zinc/41/78/80/1099417880.db2.gz ZGMKRROFXQIAKC-VNQPRFMTSA-N 0 0 374.510 4.036 10 0 FIAERN Cc1ccc([C@H]2CN([C@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)CCO2)o1 ZINC000253555653 1099566511 /nfs/dbraw/zinc/56/65/11/1099566511.db2.gz ONPGZDGGHBZILM-IUODEOHRSA-N 0 0 373.478 4.050 10 0 FIAERN C[C@H](NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccncc1 ZINC000079855832 1099816417 /nfs/dbraw/zinc/81/64/17/1099816417.db2.gz FZYSOFGHWXXLIN-LBPRGKRZSA-N 0 0 354.841 4.045 10 0 FIAERN CC(C)n1ncc2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc21 ZINC000172216092 1101316117 /nfs/dbraw/zinc/31/61/17/1101316117.db2.gz OZXPYXXOSOSGEF-OAHLLOKOSA-N 0 0 369.494 4.485 10 0 FIAERN COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(OC)c1OC ZINC000172247426 1101317533 /nfs/dbraw/zinc/31/75/33/1101317533.db2.gz UXXPYOMMLDUHPB-UHFFFAOYSA-N 0 0 374.462 4.095 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CCO[C@H]1C[C@H](N(C)C(=O)c2cnc3onc(C(C)C)c3c2)C12CCCC2 ZINC000150800779 1111641772 /nfs/dbraw/zinc/64/17/72/1111641772.db2.gz OERMAAPNGWFFAK-IRXDYDNUSA-N 0 0 371.481 4.156 10 0 FIAERN CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccccc2n1 ZINC000151269461 1111946617 /nfs/dbraw/zinc/94/66/17/1111946617.db2.gz QBUFXVWQDDDOJF-KSFYIVLOSA-N 0 0 352.478 4.125 10 0 FIAERN Cc1noc2ncc(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc12 ZINC000151680499 1112208912 /nfs/dbraw/zinc/20/89/12/1112208912.db2.gz FIDRZOFSCUMSSZ-QGZVFWFLSA-N 0 0 363.417 4.098 10 0 FIAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 ZINC000152758043 1112965535 /nfs/dbraw/zinc/96/55/35/1112965535.db2.gz YPAFMBNKIMIMJI-IIYDPXPESA-N 0 0 364.852 4.029 10 0 FIAERN CC(C)c1nnc2n1CCN(C(=O)N[C@H](C)[C@H](C)C1CCCCC1)[C@@H]2C ZINC000251610419 1113348249 /nfs/dbraw/zinc/34/82/49/1113348249.db2.gz GDBJHMHFFUOJLA-ARFHVFGLSA-N 0 0 361.534 4.093 10 0 FIAERN Cc1c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cccc1C(F)(F)F ZINC000156741312 1113833781 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O=C(Nc1cccc(N2CCCCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000131201321 1119308178 /nfs/dbraw/zinc/30/81/78/1119308178.db2.gz VAHHABIREDKPFD-GCJKJVERSA-N 0 0 371.525 4.226 10 0 FIAERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1Cl ZINC000175383891 1119396289 /nfs/dbraw/zinc/39/62/89/1119396289.db2.gz MUXNEVFCPOKRKV-CQSZACIVSA-N 0 0 356.900 4.021 10 0 FIAERN COc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)ccc1O ZINC000031159148 209845568 /nfs/dbraw/zinc/84/55/68/209845568.db2.gz GWVGVAPNTKLROZ-KRWDZBQOSA-N 0 0 370.401 4.027 10 0 biogenic,in-vitro FIAERN O=C(NCc1ccc(Oc2cccc(F)c2)s1)c1ccc2nccn2c1 ZINC000116842389 209344577 /nfs/dbraw/zinc/34/45/77/209344577.db2.gz YXSPYOMBOZARMP-UHFFFAOYSA-N 0 0 367.405 4.257 10 0 FIAERN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3C)CC2=O)c(F)c1 ZINC000105967532 209270045 /nfs/dbraw/zinc/27/00/45/209270045.db2.gz VKBJRSWFMWSWFX-CYBMUJFWSA-N 0 0 360.816 4.088 10 0 FIAERN CN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000105649680 209266666 /nfs/dbraw/zinc/26/66/66/209266666.db2.gz GUSNUERQOSVEDA-LJQANCHMSA-N 0 0 350.462 4.431 10 0 FIAERN CCCCOc1c(Cl)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OCC ZINC000104674777 209261724 /nfs/dbraw/zinc/26/17/24/209261724.db2.gz PFMFPHBTPUODDW-ZIAGYGMSSA-N 0 0 369.889 4.167 10 0 FIAERN CN(Cc1cc(Br)cs1)c1ccc2scnc2c1N ZINC000042399175 209258727 /nfs/dbraw/zinc/25/87/27/209258727.db2.gz PXBUVJXZJYRLRW-UHFFFAOYSA-N 0 0 354.298 4.339 10 0 FIAERN CN(Cc1cc(Br)cs1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042398796 209258690 /nfs/dbraw/zinc/25/86/90/209258690.db2.gz GKXHSVUMYUPRAR-AWEZNQCLSA-N 0 0 359.720 4.296 10 0 FIAERN Cc1cc([C@H](C[NH3+])N(C)Cc2cc(Br)cs2)c(C)s1 ZINC000042398475 209258370 /nfs/dbraw/zinc/25/83/70/209258370.db2.gz YRCXEGICQSDFBQ-AWEZNQCLSA-N 0 0 359.358 4.321 10 0 FIAERN CN(Cc1csc(Br)c1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000042361604 209257188 /nfs/dbraw/zinc/25/71/88/209257188.db2.gz UNGNSKRHTSTNEW-ZDUSSCGKSA-N 0 0 359.720 4.296 10 0 FIAERN CCCNc1c2c([nH+]c3c(I)cccc13)CCC2 ZINC000103993698 209256837 /nfs/dbraw/zinc/25/68/37/209256837.db2.gz OSXPWVRAWZTXFZ-UHFFFAOYSA-N 0 0 352.219 4.150 10 0 FIAERN CN(Cc1csc(Br)c1)c1ccc2scnc2c1N ZINC000042362035 209256271 /nfs/dbraw/zinc/25/62/71/209256271.db2.gz NSVNAQWNNXMWAG-UHFFFAOYSA-N 0 0 354.298 4.339 10 0 FIAERN O=c1cc(CSc2cccc(F)c2F)[nH]c2nc(-c3ccccc3)nn21 ZINC000103224602 209250064 /nfs/dbraw/zinc/25/00/64/209250064.db2.gz AZASSWZLXLRRRN-UHFFFAOYSA-N 0 0 370.384 4.067 10 0 FIAERN O=C1NC(c2ccccc2Cl)=N/C1=C/c1cccc(Br)c1 ZINC000101460422 209226509 /nfs/dbraw/zinc/22/65/09/209226509.db2.gz GGLYXQZSLIGXII-NTEUORMPSA-N 0 0 361.626 4.020 10 0 FIAERN O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000100279954 209212490 /nfs/dbraw/zinc/21/24/90/209212490.db2.gz LLJFWCWWWULLFO-IYBDPMFKSA-N 0 0 355.869 4.453 10 0 FIAERN C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1Br ZINC000017964569 220219305 /nfs/dbraw/zinc/21/93/05/220219305.db2.gz DXMMUASPAVAYFA-QMMMGPOBSA-N 0 0 373.044 4.296 10 0 FIAERN CCCCn1nc2cc(C(=O)NCc3ccccc3)ccc2c1OCC ZINC000008694108 206802510 /nfs/dbraw/zinc/80/25/10/206802510.db2.gz QCSLUDWWRGJULW-UHFFFAOYSA-N 0 0 351.450 4.165 10 0 FIAERN O=C(CN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000033316075 206811846 /nfs/dbraw/zinc/81/18/46/206811846.db2.gz GZFDWBIJGHYTEJ-MHWRWJLKSA-N 0 0 357.818 4.259 10 0 FIAERN COC(=O)Cc1nc2sc(C)c(C)c2c(Nc2cc(C)cc(C)c2)n1 ZINC000000756892 206829779 /nfs/dbraw/zinc/82/97/79/206829779.db2.gz DAQWQXTWUIIKTQ-UHFFFAOYSA-N 0 0 355.463 4.384 10 0 FIAERN C[C@@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1ccccc1 ZINC000004992436 207069975 /nfs/dbraw/zinc/06/99/75/207069975.db2.gz RTHRHLHPXVMYQJ-MRXNPFEDSA-N 0 0 362.473 4.466 10 0 FIAERN Nc1ccc(Oc2cccc(N)c2Br)c(Br)c1 ZINC000005331274 207094757 /nfs/dbraw/zinc/09/47/57/207094757.db2.gz HSJZJNOJHWYLRK-UHFFFAOYSA-N 0 0 358.033 4.168 10 0 FIAERN CCCCCNC(=S)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000006042354 207126835 /nfs/dbraw/zinc/12/68/35/207126835.db2.gz SJYVZZQLEUDOHQ-UHFFFAOYSA-N 0 0 370.518 4.482 10 0 FIAERN CCc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000006421224 207139137 /nfs/dbraw/zinc/13/91/37/207139137.db2.gz CXAUCBSPNHKGJO-CQSZACIVSA-N 0 0 351.402 4.070 10 0 FIAERN COc1cccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)c1 ZINC000006451315 207140837 /nfs/dbraw/zinc/14/08/37/207140837.db2.gz GCIZKUFNFJDSLK-UHFFFAOYSA-N 0 0 370.430 4.088 10 0 FIAERN CSc1cccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)c1 ZINC000006725311 207156630 /nfs/dbraw/zinc/15/66/30/207156630.db2.gz AMEWIYIIIUJGKT-JMLCCBQJSA-N 0 0 362.539 4.314 10 0 FIAERN CCN(Cc1nccn1Cc1cccc(Cl)c1)C(=O)c1cccc(F)c1 ZINC000006723346 207157635 /nfs/dbraw/zinc/15/76/35/207157635.db2.gz YCUKAOHDOPTTEX-UHFFFAOYSA-N 0 0 371.843 4.386 10 0 FIAERN CCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006735893 207158595 /nfs/dbraw/zinc/15/85/95/207158595.db2.gz IMHMUUDGBLHSNC-FQEVSTJZSA-N 0 0 354.475 4.431 10 0 FIAERN CCc1nn(Cc2cccc(Cl)c2)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803429 207167626 /nfs/dbraw/zinc/16/76/26/207167626.db2.gz FGPYSESCRRDKNL-UHFFFAOYSA-N 0 0 351.837 4.222 10 0 FIAERN CN(C(=O)Cn1c(Cc2cccs2)nc2ccccc21)c1ccccc1 ZINC000008787010 207249549 /nfs/dbraw/zinc/24/95/49/207249549.db2.gz UKZCWMYEIPLGQM-UHFFFAOYSA-N 0 0 361.470 4.352 10 0 FIAERN Cc1cc(Cl)cc2sc(NC(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009521704 207275275 /nfs/dbraw/zinc/27/52/75/207275275.db2.gz JNQCVBIWIKCANS-UHFFFAOYSA-N 0 0 360.822 4.168 10 0 FIAERN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCC)c2)cc1 ZINC000009697133 207282526 /nfs/dbraw/zinc/28/25/26/207282526.db2.gz WLFVCGQIQXMTTF-UHFFFAOYSA-N 0 0 358.463 4.001 10 0 FIAERN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(OCC)c2)c1 ZINC000009697151 207282888 /nfs/dbraw/zinc/28/28/88/207282888.db2.gz WLZHEZAGNNJIHU-UHFFFAOYSA-N 0 0 372.490 4.391 10 0 FIAERN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(OCC)c2)cc1 ZINC000009697131 207283119 /nfs/dbraw/zinc/28/31/19/207283119.db2.gz GJEJPQJIDJTDEM-UHFFFAOYSA-N 0 0 372.490 4.391 10 0 FIAERN CCOCCOc1ccc(NC(=O)c2ccc(OCC)cc2OCC)cc1 ZINC000009879043 207287500 /nfs/dbraw/zinc/28/75/00/207287500.db2.gz HXCOPJNEIDDBBQ-UHFFFAOYSA-N 0 0 373.449 4.152 10 0 FIAERN CCOc1cccc(NC(=S)NC(=O)CCc2ccccc2Cl)c1 ZINC000010012827 207292125 /nfs/dbraw/zinc/29/21/25/207292125.db2.gz CTOBGTSCAXCWQD-UHFFFAOYSA-N 0 0 362.882 4.185 10 0 FIAERN CCc1c(C)sc(NC(=O)c2ccc(OCCC(C)C)cc2)c1C(N)=O ZINC000010149399 207295941 /nfs/dbraw/zinc/29/59/41/207295941.db2.gz BZGDWWYSXSASQA-UHFFFAOYSA-N 0 0 374.506 4.395 10 0 FIAERN CCC(=O)Oc1c(C)s/c(=N\c2ccccc2Cl)n1C(=O)CC ZINC000011638123 207316463 /nfs/dbraw/zinc/31/64/63/207316463.db2.gz FQVMMVZPHWNIEA-VLGSPTGOSA-N 0 0 352.843 4.109 10 0 FIAERN CCCS(=O)(=O)c1ccc(NCc2ccc(Br)s2)cc1 ZINC000038018851 207811927 /nfs/dbraw/zinc/81/19/27/207811927.db2.gz GHTKBVZHZSIDRP-UHFFFAOYSA-N 0 0 374.325 4.306 10 0 FIAERN Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2nc(-c3ccccc3)cn12 ZINC000031865711 208021022 /nfs/dbraw/zinc/02/10/22/208021022.db2.gz DIJQDXVUCRMRCA-ZIAGYGMSSA-N 0 0 353.491 4.489 10 0 FIAERN CCn1cc(C(=O)Nc2ccccc2C(C)=O)c(=O)c2cc(Cl)ccc21 ZINC000032607757 208033160 /nfs/dbraw/zinc/03/31/60/208033160.db2.gz NHOZWCXRXVWMHA-UHFFFAOYSA-N 0 0 368.820 4.130 10 0 FIAERN Cc1cc(=O)c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)ccc2[nH]1 ZINC000032605903 208033578 /nfs/dbraw/zinc/03/35/78/208033578.db2.gz ZFPAKJDGOOPHTA-UHFFFAOYSA-N 0 0 369.833 4.352 10 0 FIAERN CC(=O)Nc1ccc(-c2cc(C(=O)NC(C)C)c3cc(C)ccc3n2)cc1 ZINC000033106351 208073615 /nfs/dbraw/zinc/07/36/15/208073615.db2.gz LEMKSJFSGSISOD-UHFFFAOYSA-N 0 0 361.445 4.307 10 0 FIAERN CCc1nc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)c(C)s2)no1 ZINC000035426074 208124940 /nfs/dbraw/zinc/12/49/40/208124940.db2.gz JIQRXJPRYKVXAA-UHFFFAOYSA-N 0 0 366.446 4.331 10 0 FIAERN OCc1c(Cl)cccc1Oc1ccccc1I ZINC000035454672 208126996 /nfs/dbraw/zinc/12/69/96/208126996.db2.gz INVAUVSGLLMLBZ-UHFFFAOYSA-N 0 0 360.578 4.229 10 0 FIAERN CC(=O)Nc1nc(C)c(Cc2ccc(Br)c(Cl)c2)s1 ZINC000036639165 208169637 /nfs/dbraw/zinc/16/96/37/208169637.db2.gz ADKKNVDNWOPRKP-UHFFFAOYSA-N 0 0 359.676 4.417 10 0 FIAERN 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CCOc1ccc(N2C(=O)S/C(=C\c3cccc(OC)c3)C2=O)cc1 ZINC000039859836 208214411 /nfs/dbraw/zinc/21/44/11/208214411.db2.gz HWNUSVYGORWTJQ-ATVHPVEESA-N 0 0 355.415 4.335 10 0 FIAERN CCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040274452 208245068 /nfs/dbraw/zinc/24/50/68/208245068.db2.gz UVQSVJZEBCAXDH-UHFFFAOYSA-N 0 0 365.477 4.265 10 0 FIAERN CC(C)c1ccccc1NC(=S)NC(=O)CCCOc1ccccc1 ZINC000040899978 208273726 /nfs/dbraw/zinc/27/37/26/208273726.db2.gz UVVRYVJQDOZVLM-UHFFFAOYSA-N 0 0 356.491 4.482 10 0 FIAERN Cc1ccccc1NC(=S)NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000040899180 208274290 /nfs/dbraw/zinc/27/42/90/208274290.db2.gz FMSRUNNPHUDLRN-UHFFFAOYSA-N 0 0 356.491 4.319 10 0 FIAERN Cc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1 ZINC000040901310 208274853 /nfs/dbraw/zinc/27/48/53/208274853.db2.gz JEBJANIAJQUZAT-UHFFFAOYSA-N 0 0 362.882 4.321 10 0 FIAERN CC(C)=CC(=O)N(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000040967036 208276184 /nfs/dbraw/zinc/27/61/84/208276184.db2.gz AZZKKNADLXXHRN-UHFFFAOYSA-N 0 0 357.475 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O=C(c1cnc(-c2ccccc2F)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000171640582 1108846664 /nfs/dbraw/zinc/84/66/64/1108846664.db2.gz OSVFQHXFLSCVNB-GFCCVEGCSA-N 0 0 373.478 4.426 10 0 FIAERN CC(C)OCc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114812282 1109374824 /nfs/dbraw/zinc/37/48/24/1109374824.db2.gz MHCPQJXKMHRWAC-MRXNPFEDSA-N 0 0 359.495 4.480 10 0 FIAERN Cc1ccc2cccc(NC(=O)N3CCC[C@H](c4nccs4)C3)c2n1 ZINC000114815041 1109377690 /nfs/dbraw/zinc/37/76/90/1109377690.db2.gz VJMRVNDHHAOILH-HNNXBMFYSA-N 0 0 352.463 4.411 10 0 FIAERN O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CC=C(c2cccs2)CC1 ZINC000117857282 1109937082 /nfs/dbraw/zinc/93/70/82/1109937082.db2.gz FENUEDYGYRJGAZ-UHFFFAOYSA-N 0 0 359.451 4.356 10 0 FIAERN O=C(Nc1ccc(N2CCOC2=O)cc1)N1CC=C(c2cccs2)CC1 ZINC000118014856 1109953370 /nfs/dbraw/zinc/95/33/70/1109953370.db2.gz MKROPQUAUMVGJA-UHFFFAOYSA-N 0 0 369.446 4.026 10 0 FIAERN COc1ccc(NC(C)=O)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118009726 1109953396 /nfs/dbraw/zinc/95/33/96/1109953396.db2.gz UMTIPNVCYNWHDL-UHFFFAOYSA-N 0 0 371.462 4.036 10 0 FIAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CC(C)(C)C1 ZINC000248610024 1110188532 /nfs/dbraw/zinc/18/85/32/1110188532.db2.gz VZAIUDYYWPRKRV-IKGGRYGDSA-N 0 0 358.530 4.130 10 0 FIAERN Cc1cccc([C@@H]2CCCN2C(=O)c2nn(CC(C)C)cc2C(F)F)n1 ZINC000120276910 1110218151 /nfs/dbraw/zinc/21/81/51/1110218151.db2.gz OGZBLAKAUMOXBX-INIZCTEOSA-N 0 0 362.424 4.157 10 0 FIAERN O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151215122 1111936922 /nfs/dbraw/zinc/93/69/22/1111936922.db2.gz JVSAFWDFSUYWHT-JLTOFOAXSA-N 0 0 359.853 4.367 10 0 FIAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCCOc2c(F)cccc21 ZINC000245515476 1111976415 /nfs/dbraw/zinc/97/64/15/1111976415.db2.gz DPLOWIWQEXNJTF-LALPHHSUSA-N 0 0 374.378 4.460 10 0 FIAERN Cc1c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cccc1C(F)(F)F ZINC000156740892 1113833840 /nfs/dbraw/zinc/83/38/40/1113833840.db2.gz LTCKDDXGIPDKNM-CXAGYDPISA-N 0 0 356.388 4.173 10 0 FIAERN CC1(C)C[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2O1 ZINC000157027048 1114213246 /nfs/dbraw/zinc/21/32/46/1114213246.db2.gz LHGPPKNOCPXFJA-BBRMVZONSA-N 0 0 358.463 4.027 10 0 FIAERN CC1(C)C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2O1 ZINC000157027196 1114213439 /nfs/dbraw/zinc/21/34/39/1114213439.db2.gz LHGPPKNOCPXFJA-CJNGLKHVSA-N 0 0 358.463 4.027 10 0 FIAERN CN(CCC1CCOCC1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157862562 1114949402 /nfs/dbraw/zinc/94/94/02/1114949402.db2.gz RYHPOTBUEMSFRO-IBGZPJMESA-N 0 0 372.509 4.281 10 0 FIAERN Cc1nc(-c2cccc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)c2)cs1 ZINC000173445511 1116125243 /nfs/dbraw/zinc/12/52/43/1116125243.db2.gz YEDUVJMTNLIPOE-SFHVURJKSA-N 0 0 352.463 4.209 10 0 FIAERN CC(C)(C)c1nc2cc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc2o1 ZINC000126164471 1116366946 /nfs/dbraw/zinc/36/69/46/1116366946.db2.gz HJUSDDPNSBCMTH-SPLOXXLWSA-N 0 0 371.481 4.284 10 0 FIAERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000126722335 1121583524 /nfs/dbraw/zinc/58/35/24/1121583524.db2.gz PDAKQPCNOZIGIB-POAQFYNOSA-N 0 0 370.493 4.080 10 0 FIAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@H](C)C[C@@H](C)C3)n2)n1 ZINC000163006778 1122518297 /nfs/dbraw/zinc/51/82/97/1122518297.db2.gz GCXOBEJZZLQUOE-QWHCGFSZSA-N 0 0 360.889 4.046 10 0 FIAERN Oc1ccc2c(c1)n(-c1cc(F)ccc1F)nc2-c1ccc(O)cc1O ZINC000013586331 210233049 /nfs/dbraw/zinc/23/30/49/210233049.db2.gz IRDQVQSLLZJRMS-UHFFFAOYSA-N 0 0 354.312 4.088 10 0 FIAERN Cn1c(Br)c(Br)c2cc(Br)ccc21 ZINC000001579390 210226499 /nfs/dbraw/zinc/22/64/99/210226499.db2.gz MPKDIFDUZUAGQV-UHFFFAOYSA-N 0 0 367.866 4.466 10 0 FIAERN COc1cc2occ(-c3ccc(O)cc3O)c(O)c-2c(=O)c1CC=C(C)C ZINC000000896816 210225338 /nfs/dbraw/zinc/22/53/38/210225338.db2.gz AZPLXDBZIQMMMT-UHFFFAOYSA-N 0 0 368.385 4.094 10 0 biogenic,in-vitro FIAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Br)cc3F)n2)c1 ZINC000057341473 210208985 /nfs/dbraw/zinc/20/89/85/210208985.db2.gz PNNZDHPINDVPSB-UHFFFAOYSA-N 0 0 374.213 4.391 10 0 FIAERN Cc1ccc(-c2cc(=O)[nH]c(NCc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000057342144 210208635 /nfs/dbraw/zinc/20/86/35/210208635.db2.gz XPMQAQHKYPVBJN-UHFFFAOYSA-N 0 0 359.351 4.376 10 0 FIAERN CCOc1cc2[nH+]ccc(Nc3ccc(C(=O)[O-])cc3)c2cc1OCC ZINC000053994685 210206021 /nfs/dbraw/zinc/20/60/21/210206021.db2.gz VJHDLMIZVARQLI-UHFFFAOYSA-N 0 0 352.390 4.474 10 0 FIAERN C[C@H](Nc1nc(-c2cccnc2)nc2sc3c(c21)CCC3)[C@H]1CCCO1 ZINC000031527104 210168786 /nfs/dbraw/zinc/16/87/86/210168786.db2.gz ANHLDGFFGALZSB-SWLSCSKDSA-N 0 0 366.490 4.221 10 0 FIAERN Fc1cc(Br)ccc1-c1nc2cc(Br)cnc2[nH]1 ZINC000048580535 211877123 /nfs/dbraw/zinc/87/71/23/211877123.db2.gz JKBNUJACPRRSRH-UHFFFAOYSA-N 0 0 371.007 4.289 10 0 FIAERN Cn1c2ccccc2c(Br)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000041611967 211772539 /nfs/dbraw/zinc/77/25/39/211772539.db2.gz HTXLWLNUELLQMT-UHFFFAOYSA-N 0 0 365.177 4.471 10 0 FIAERN Cc1cc(Br)cc(C)c1OCC(=O)NC1CCCCCC1 ZINC000040865956 211763138 /nfs/dbraw/zinc/76/31/38/211763138.db2.gz RRJQVGHQABIWQD-UHFFFAOYSA-N 0 0 354.288 4.284 10 0 FIAERN COc1ccc(/C=C/C(=O)Nc2ccnc3c(F)cc(F)cc23)cc1OC ZINC000041058164 211767095 /nfs/dbraw/zinc/76/70/95/211767095.db2.gz VKWVEAVTCNIHCM-GQCTYLIASA-N 0 0 370.355 4.182 10 0 FIAERN CCOc1cccc2sc(NCC(=O)c3ccccc3OCC)nc21 ZINC000040980047 211766321 /nfs/dbraw/zinc/76/63/21/211766321.db2.gz MIRPOPPTCXRTAP-UHFFFAOYSA-N 0 0 356.447 4.389 10 0 FIAERN Cc1ccc(S(=O)(=O)N(C(=O)C(C)(C)C)c2cccc(C)c2C)cc1 ZINC000040966483 211766105 /nfs/dbraw/zinc/76/61/05/211766105.db2.gz HHLGFSNCESTARW-UHFFFAOYSA-N 0 0 359.491 4.380 10 0 FIAERN Cc1nnc(Cc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cc2)o1 ZINC000040324055 211740822 /nfs/dbraw/zinc/74/08/22/211740822.db2.gz HORDLDUTPCJODT-UHFFFAOYSA-N 0 0 374.400 4.185 10 0 FIAERN CCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000073654687 211689246 /nfs/dbraw/zinc/68/92/46/211689246.db2.gz DCSZWOYLIIJOAX-HUUCEWRRSA-N 0 0 356.507 4.279 10 0 FIAERN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000071860452 211685846 /nfs/dbraw/zinc/68/58/46/211685846.db2.gz NZOHIQILADNFBJ-GFCCVEGCSA-N 0 0 357.251 4.350 10 0 FIAERN Cc1cccc2c(C(=O)N3Cc4ccccc4C3)cc(-c3cn[nH]c3)nc12 ZINC000023399814 211387042 /nfs/dbraw/zinc/38/70/42/211387042.db2.gz QUSDIWPCQTZWFG-UHFFFAOYSA-N 0 0 354.413 4.089 10 0 FIAERN Brc1ccc(-c2c[nH]c([C@H]3CNc4ccccc4O3)n2)s1 ZINC000038002395 211344653 /nfs/dbraw/zinc/34/46/53/211344653.db2.gz PWOYUHDNMBPHLB-GFCCVEGCSA-N 0 0 362.252 4.446 10 0 FIAERN CNC(=O)Nc1ccc(N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038003178 211341653 /nfs/dbraw/zinc/34/16/53/211341653.db2.gz STAIDWQGWGHNFW-SECBINFHSA-N 0 0 354.273 4.435 10 0 FIAERN O=C(c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1)N1CCCC1 ZINC000021923167 211330542 /nfs/dbraw/zinc/33/05/42/211330542.db2.gz OYNVBEGLBAWCJR-UHFFFAOYSA-N 0 0 368.440 4.299 10 0 FIAERN COc1cc(Nc2cc(C(=O)Nc3ccc(C)cc3)ccn2)cc(OC)c1 ZINC000021881889 211328252 /nfs/dbraw/zinc/32/82/52/211328252.db2.gz OOEIPUZLRZULMI-UHFFFAOYSA-N 0 0 363.417 4.403 10 0 FIAERN Cc1ccc2n1CCN(C(=O)c1cc(Br)ccc1Cl)[C@@H]2C ZINC000037974593 211326338 /nfs/dbraw/zinc/32/63/38/211326338.db2.gz JMCFMAAAPIKJPA-LLVKDONJSA-N 0 0 367.674 4.429 10 0 FIAERN COc1cccc([C@@H](C)Nc2ccc(I)cc2)c1 ZINC000020477649 211282202 /nfs/dbraw/zinc/28/22/02/211282202.db2.gz NGELLAQFNYRYJX-LLVKDONJSA-N 0 0 353.203 4.473 10 0 FIAERN COc1cccc([C@H](C)Nc2ccc(I)cc2)c1 ZINC000020477653 211281517 /nfs/dbraw/zinc/28/15/17/211281517.db2.gz NGELLAQFNYRYJX-NSHDSACASA-N 0 0 353.203 4.473 10 0 FIAERN CCOc1cc(C(=O)Nc2ccc(C)c(N)c2)cc(OCC)c1OCC ZINC000020344658 211277360 /nfs/dbraw/zinc/27/73/60/211277360.db2.gz JVKXTBALUSIUEC-UHFFFAOYSA-N 0 0 358.438 4.026 10 0 FIAERN C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000017959873 211188947 /nfs/dbraw/zinc/18/89/47/211188947.db2.gz BZZYRTJNJAQUKU-OAHLLOKOSA-N 0 0 369.424 4.081 10 0 FIAERN CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000015019155 211115560 /nfs/dbraw/zinc/11/55/60/211115560.db2.gz ZBFPKZKBVUGKFX-LICLKQGHSA-N 0 0 370.405 4.021 10 0 FIAERN Oc1cccc2c(NCc3ccc(I)o3)cccc12 ZINC000037316945 211123720 /nfs/dbraw/zinc/12/37/20/211123720.db2.gz HHTZEFGPKDCTHL-UHFFFAOYSA-N 0 0 365.170 4.355 10 0 FIAERN COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2Br)c1 ZINC000015083138 211122045 /nfs/dbraw/zinc/12/20/45/211122045.db2.gz QMJNUGOSUOXIMT-JXMROGBWSA-N 0 0 362.223 4.118 10 0 FIAERN COc1ccc(/C=C2\SC(=N)N(c3ccccc3C)C2=O)cc1OC ZINC000015053195 211114632 /nfs/dbraw/zinc/11/46/32/211114632.db2.gz SDXNKXYKQZZJGW-JWZKOSBISA-N 0 0 354.431 4.068 10 0 FIAERN C[C@@H](Nc1ccc2c(c1)CCO2)c1ccc(I)cc1 ZINC000037313398 211110293 /nfs/dbraw/zinc/11/02/93/211110293.db2.gz OKVQCMSNMZAGPI-LLVKDONJSA-N 0 0 365.214 4.399 10 0 FIAERN C[C@@H](Nc1cccc(I)c1)c1ccc2c(c1)CCO2 ZINC000037248059 211075195 /nfs/dbraw/zinc/07/51/95/211075195.db2.gz KYDOWILLZWHAOZ-LLVKDONJSA-N 0 0 365.214 4.399 10 0 FIAERN O=C(c1ccc(F)c(Br)c1)N1CCCC(c2ccccc2)=N1 ZINC000013744720 211055182 /nfs/dbraw/zinc/05/51/82/211055182.db2.gz NFXGORVTGOUZTR-UHFFFAOYSA-N 0 0 361.214 4.229 10 0 FIAERN COC(=O)c1sc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1C ZINC000012126573 210918420 /nfs/dbraw/zinc/91/84/20/210918420.db2.gz YQBLYHUVJNEUNT-UHFFFAOYSA-N 0 0 351.790 4.322 10 0 FIAERN COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000011762239 210893534 /nfs/dbraw/zinc/89/35/34/210893534.db2.gz COAWXGINSXXUNG-ZDUSSCGKSA-N 0 0 374.387 4.100 10 0 FIAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000009870057 210854484 /nfs/dbraw/zinc/85/44/84/210854484.db2.gz OXXXNUVJPAFLBV-JKSUJKDBSA-N 0 0 368.477 4.308 10 0 FIAERN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccccc1 ZINC000009787468 210853506 /nfs/dbraw/zinc/85/35/06/210853506.db2.gz AMBSOVTZRRBNBL-UHFFFAOYSA-N 0 0 371.849 4.230 10 0 FIAERN COc1ccc(C(=O)NC(=S)Nc2cccc(OCCC(C)C)c2)cc1 ZINC000009696771 210847993 /nfs/dbraw/zinc/84/79/93/210847993.db2.gz BMNNIWNBJGWKRR-UHFFFAOYSA-N 0 0 372.490 4.247 10 0 FIAERN CCCCNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000002937967 210438166 /nfs/dbraw/zinc/43/81/66/210438166.db2.gz IHPXBVLHYAKHBH-UHFFFAOYSA-N 0 0 354.837 4.174 10 0 FIAERN O=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)cnc1Cl ZINC000002564913 210407090 /nfs/dbraw/zinc/40/70/90/210407090.db2.gz UBRFOGZBVJWUPQ-UHFFFAOYSA-N 0 0 360.653 4.169 10 0 FIAERN CC(C)(C)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001509615 210358214 /nfs/dbraw/zinc/35/82/14/210358214.db2.gz IGLDRHJCNINRMT-SFHVURJKSA-N 0 0 356.853 4.256 10 0 FIAERN CCc1ccc(NC(=O)COc2cccc(OC)c2)c(Br)c1 ZINC000065000832 221163309 /nfs/dbraw/zinc/16/33/09/221163309.db2.gz GKSNAVHIWVAPMS-UHFFFAOYSA-N 0 0 364.239 4.038 10 0 FIAERN Cc1ccccc1Cn1nnc2cc(C(=O)N(C)Cc3ccccc3)ccc21 ZINC000065030242 221164962 /nfs/dbraw/zinc/16/49/62/221164962.db2.gz ASWLYJRIDIXBEO-UHFFFAOYSA-N 0 0 370.456 4.060 10 0 FIAERN Cc1cc(-c2c(-c3ccccc3)ncn2CCO)c(C)n1Cc1cccnc1 ZINC000065373091 221205091 /nfs/dbraw/zinc/20/50/91/221205091.db2.gz XJRHXFOWPGFTIY-UHFFFAOYSA-N 0 0 372.472 4.071 10 0 FIAERN CCOc1ccc(-c2nnc3n2N[C@H](/C=C/c2ccccc2)S3)cc1 ZINC000068572114 221316257 /nfs/dbraw/zinc/31/62/57/221316257.db2.gz NVPBDTXWXKSCKX-YJJOXIQCSA-N 0 0 350.447 4.033 10 0 FIAERN OCc1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1 ZINC000070457282 221332363 /nfs/dbraw/zinc/33/23/63/221332363.db2.gz QVPDBIAVTZHUFV-UHFFFAOYSA-N 0 0 353.731 4.099 10 0 FIAERN Cc1ccccc1CC[C@H]1CCCN(C(=O)Cc2cnc3ccccn23)C1 ZINC000071661771 221354393 /nfs/dbraw/zinc/35/43/93/221354393.db2.gz BFZUARQDLHNCON-LJQANCHMSA-N 0 0 361.489 4.057 10 0 FIAERN CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCC(=O)CC2)c1C ZINC000073679062 132376715 /nfs/dbraw/zinc/37/67/15/132376715.db2.gz ZYZFCSWGWLDCTO-UHFFFAOYSA-N 0 0 363.383 4.203 10 0 FIAERN CCCc1cc(N2CCC(=O)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073679050 132376781 /nfs/dbraw/zinc/37/67/81/132376781.db2.gz BLECUHWACDYBLS-UHFFFAOYSA-N 0 0 363.383 4.284 10 0 FIAERN Cc1cc(Cl)ccc1Nc1ncnc(N2CCc3ccccc3C2)c1N ZINC000040703278 136119865 /nfs/dbraw/zinc/11/98/65/136119865.db2.gz JWRIHUFKGDHDSP-UHFFFAOYSA-N 0 0 365.868 4.327 10 0 FIAERN CC1CCN(c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2N)CC1 ZINC000040700909 136119890 /nfs/dbraw/zinc/11/98/90/136119890.db2.gz ABMNCWNHOAUYJL-UHFFFAOYSA-N 0 0 352.269 4.346 10 0 FIAERN CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000056736020 136127848 /nfs/dbraw/zinc/12/78/48/136127848.db2.gz VHYJHNKYBUDFNN-HNNXBMFYSA-N 0 0 373.497 4.112 10 0 FIAERN CN1c2cc(Cl)ccc2OC[C@H]1CC(=O)NC1CCCCCCC1 ZINC000064663656 136133553 /nfs/dbraw/zinc/13/35/53/136133553.db2.gz PYKNVPSUPSWGSK-MRXNPFEDSA-N 0 0 350.890 4.156 10 0 FIAERN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)c(Cl)c1 ZINC000072026296 136141687 /nfs/dbraw/zinc/14/16/87/136141687.db2.gz YBRLCYZWDFHSAJ-AWEZNQCLSA-N 0 0 361.848 4.072 10 0 FIAERN Cc1nn(-c2ccc(F)cc2)cc1-c1ccnc(N2CCC(C)CC2)n1 ZINC000072462041 136148596 /nfs/dbraw/zinc/14/85/96/136148596.db2.gz HQTHUXPKKSERDE-UHFFFAOYSA-N 0 0 351.429 4.013 10 0 FIAERN Cc1nn(-c2cccc(F)c2)cc1-c1ccnc(N2CCC(C)CC2)n1 ZINC000072462097 136148639 /nfs/dbraw/zinc/14/86/39/136148639.db2.gz KIGDIEPDVKTTPH-UHFFFAOYSA-N 0 0 351.429 4.013 10 0 FIAERN Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCCCC2)n1 ZINC000072461984 136148745 /nfs/dbraw/zinc/14/87/45/136148745.db2.gz VDLJXEWIDHGXHL-UHFFFAOYSA-N 0 0 353.857 4.281 10 0 FIAERN CC(C)(C)OC(=O)N1CCC([C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000095929869 221972392 /nfs/dbraw/zinc/97/23/92/221972392.db2.gz XWCQLHPHWADJAQ-HNNXBMFYSA-N 0 0 359.388 4.386 10 0 FIAERN Cc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000096296202 222112574 /nfs/dbraw/zinc/11/25/74/222112574.db2.gz OLFVJQFAWDVSCR-FQEVSTJZSA-N 0 0 351.425 4.098 10 0 biogenic FIAERN CN(C)C(=O)c1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000096972861 222146126 /nfs/dbraw/zinc/14/61/26/222146126.db2.gz ZVKJZOLQVDXICQ-UHFFFAOYSA-N 0 0 359.425 4.198 10 0 FIAERN COc1ccc(CC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000098180682 222230294 /nfs/dbraw/zinc/23/02/94/222230294.db2.gz OOUDJGWDRVLVSA-UHFFFAOYSA-N 0 0 355.434 4.145 10 0 FIAERN COc1ccc(C[C@@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC ZINC000102189853 222290417 /nfs/dbraw/zinc/29/04/17/222290417.db2.gz ITXTZJSELNILSN-HUUCEWRRSA-N 0 0 374.477 4.484 10 0 biogenic FIAERN COc1ccc(NC(=S)N(Cc2ccc(C)o2)Cc2cccnc2)cc1 ZINC000020407457 524664781 /nfs/dbraw/zinc/66/47/81/524664781.db2.gz MBGKTURNHUQGAT-UHFFFAOYSA-N 0 0 367.474 4.391 10 0 FIAERN C[C@@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657157 525243880 /nfs/dbraw/zinc/24/38/80/525243880.db2.gz MFHFEXAZQDNMKA-WBVHZDCISA-N 0 0 362.470 4.043 10 0 FIAERN Cc1cnc(SCC2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl ZINC000085333205 526098972 /nfs/dbraw/zinc/09/89/72/526098972.db2.gz CTXPYBFNBPKNAH-UHFFFAOYSA-N 0 0 357.907 4.178 10 0 FIAERN c1ccc2c(c1)OCCC[C@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188592581 567975427 /nfs/dbraw/zinc/97/54/27/567975427.db2.gz QUMOSTDHNPMMJC-LJQANCHMSA-N 0 0 360.461 4.141 10 0 FIAERN Cc1nnc([C@H](N[C@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000162463679 568023547 /nfs/dbraw/zinc/02/35/47/568023547.db2.gz KQZBRYXTPCBZRA-FUHWJXTLSA-N 0 0 354.454 4.168 10 0 FIAERN COCc1cccc(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000188649418 568045211 /nfs/dbraw/zinc/04/52/11/568045211.db2.gz PUQNVCUZFWCTMW-HXUWFJFHSA-N 0 0 365.473 4.328 10 0 FIAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)n1 ZINC000408232506 568104862 /nfs/dbraw/zinc/10/48/62/568104862.db2.gz UGTNSGSPJCMBPT-CYBMUJFWSA-N 0 0 359.495 4.153 10 0 FIAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C[C@H](C)O1 ZINC000408255962 568206259 /nfs/dbraw/zinc/20/62/59/568206259.db2.gz JXTPNOPKMZGGII-JYYAWHABSA-N 0 0 373.522 4.346 10 0 FIAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000128731287 568222061 /nfs/dbraw/zinc/22/20/61/568222061.db2.gz FGWULMIEOWIVKS-SJORKVTESA-N 0 0 356.853 4.305 10 0 FIAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000128731678 568222149 /nfs/dbraw/zinc/22/21/49/568222149.db2.gz FGWULMIEOWIVKS-IAGOWNOFSA-N 0 0 356.853 4.305 10 0 FIAERN Cc1c(Br)cccc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000390802320 568248095 /nfs/dbraw/zinc/24/80/95/568248095.db2.gz QUIKLCATQKGMEZ-CYBMUJFWSA-N 0 0 362.267 4.093 10 0 FIAERN O=C(c1ccc(Br)cc1)N1CCCC[C@H]1c1nccs1 ZINC000303294890 568265090 /nfs/dbraw/zinc/26/50/90/568265090.db2.gz XRQXZZAECQUNAI-ZDUSSCGKSA-N 0 0 351.269 4.273 10 0 FIAERN Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)on1 ZINC000408292660 568345538 /nfs/dbraw/zinc/34/55/38/568345538.db2.gz UMMLHHIMENQAEG-CVEARBPZSA-N 0 0 355.438 4.132 10 0 FIAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000408302074 568383619 /nfs/dbraw/zinc/38/36/19/568383619.db2.gz XFFVFYTVQAQRHR-UHFFFAOYSA-N 0 0 351.878 4.086 10 0 FIAERN CCn1c(C)cc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)c1C ZINC000032350232 568391309 /nfs/dbraw/zinc/39/13/09/568391309.db2.gz KHBBIIOKTJCWSK-GOSISDBHSA-N 0 0 370.522 4.225 10 0 FIAERN CCc1ocnc1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095507655 570464919 /nfs/dbraw/zinc/46/49/19/570464919.db2.gz YJRJRROODAFBPF-UHFFFAOYSA-N 0 0 360.457 4.459 10 0 FIAERN O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000008380362 571042868 /nfs/dbraw/zinc/04/28/68/571042868.db2.gz UYBKSMSJRCQNSY-IBGZPJMESA-N 0 0 353.372 4.403 10 0 FIAERN COc1ccc(OC)c(-c2cc(CN(C(=O)C3CCCC3)C3CC3)no2)c1 ZINC000036011895 571141858 /nfs/dbraw/zinc/14/18/58/571141858.db2.gz ULSVWKISQLFREG-UHFFFAOYSA-N 0 0 370.449 4.040 10 0 FIAERN OCc1cnc(SCc2cccc(F)c2F)n1CCc1ccccc1 ZINC000004719586 571168221 /nfs/dbraw/zinc/16/82/21/571168221.db2.gz ZXENJFRQCZONDH-UHFFFAOYSA-N 0 0 360.429 4.189 10 0 FIAERN O=C(c1ccccc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399501 571168418 /nfs/dbraw/zinc/16/84/18/571168418.db2.gz VSIBAXFVDNVJIC-UHFFFAOYSA-N 0 0 361.420 4.173 10 0 FIAERN O=S(=O)(c1ccccc1)n1ccc2c1cc(Cl)cc2Br ZINC000575447671 571174586 /nfs/dbraw/zinc/17/45/86/571174586.db2.gz RFFZUKDMIAHNER-UHFFFAOYSA-N 0 0 370.655 4.294 10 0 FIAERN CC(=O)C(=Cn1c2ccc(C)cc2[nH]c1=S)C(=O)Nc1ccccc1C ZINC000048548179 571308908 /nfs/dbraw/zinc/30/89/08/571308908.db2.gz ZCDHZUIBANZIHW-RVDMUPIBSA-N 0 0 365.458 4.384 10 0 FIAERN Cc1cc2c(ncnc2N[C@H](c2nc(C(C)C)no2)C2CCOCC2)s1 ZINC000328612726 571324228 /nfs/dbraw/zinc/32/42/28/571324228.db2.gz PNBIBXKRLKBDQP-AWEZNQCLSA-N 0 0 373.482 4.086 10 0 FIAERN Cc1cc2c(ncnc2N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)s1 ZINC000328612727 571324232 /nfs/dbraw/zinc/32/42/32/571324232.db2.gz PNBIBXKRLKBDQP-CQSZACIVSA-N 0 0 373.482 4.086 10 0 FIAERN Cc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1-c1ccccc1 ZINC000003357085 571348259 /nfs/dbraw/zinc/34/82/59/571348259.db2.gz FHUNRZOIQPVKQN-UHFFFAOYSA-N 0 0 363.442 4.135 10 0 FIAERN CC[C@@](C)(Nc1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C ZINC000004149518 571356115 /nfs/dbraw/zinc/35/61/15/571356115.db2.gz DKZJRSBVQOMPRC-OAQYLSRUSA-N 0 0 364.497 4.082 10 0 FIAERN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186892463 1079758000 /nfs/dbraw/zinc/75/80/00/1079758000.db2.gz FXSHFEWCIMYHFX-NHYWBVRUSA-N 0 0 363.458 4.207 10 0 FIAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3nccs3)C2)CCO1 ZINC000245953318 1080234283 /nfs/dbraw/zinc/23/42/83/1080234283.db2.gz LMDZJDOVAOTMTO-ZACQAIPSSA-N 0 0 365.543 4.016 10 0 FIAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)c2ccccc2O1 ZINC000188205149 1080315793 /nfs/dbraw/zinc/31/57/93/1080315793.db2.gz ANCUUKIIARNPJE-IRXDYDNUSA-N 0 0 370.424 4.251 10 0 FIAERN CSc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Cl ZINC000152056516 1080408534 /nfs/dbraw/zinc/40/85/34/1080408534.db2.gz BESMIQHDLUJVRI-SJKOYZFVSA-N 0 0 354.903 4.221 10 0 FIAERN C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[C@H]1COc2ccccc21 ZINC000246242122 1080475320 /nfs/dbraw/zinc/47/53/20/1080475320.db2.gz GHOAJGAEBRSXPZ-QGTPRVQTSA-N 0 0 366.461 4.153 10 0 FIAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000083576713 1081540949 /nfs/dbraw/zinc/54/09/49/1081540949.db2.gz NGLNVDIBLRSEEN-OAHLLOKOSA-N 0 0 363.461 4.078 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cc(F)ccc32)no1 ZINC000119252150 1082110976 /nfs/dbraw/zinc/11/09/76/1082110976.db2.gz KWUCZDOEHMSEDQ-SJORKVTESA-N 0 0 372.444 4.256 10 0 FIAERN Clc1cc(-c2cccc(I)c2)nc(C2CC2)n1 ZINC000409428686 1082353566 /nfs/dbraw/zinc/35/35/66/1082353566.db2.gz HHDFYGSMEFGDEN-UHFFFAOYSA-N 0 0 356.594 4.279 10 0 FIAERN CCc1nnc(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)s1 ZINC000152423238 1082783419 /nfs/dbraw/zinc/78/34/19/1082783419.db2.gz CUAVAZINAOZFAL-CYBMUJFWSA-N 0 0 358.467 4.059 10 0 FIAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000328814121 1082867319 /nfs/dbraw/zinc/86/73/19/1082867319.db2.gz NIILGRASNKSBIT-MRXNPFEDSA-N 0 0 357.841 4.496 10 0 FIAERN O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000151371107 1083974762 /nfs/dbraw/zinc/97/47/62/1083974762.db2.gz MAEUVEMTVGKCLQ-SNVBAGLBSA-N 0 0 358.360 4.321 10 0 FIAERN CC(C)c1nnc(/C=C/C(=O)NC(c2cccs2)c2cccs2)o1 ZINC000151911911 1084405805 /nfs/dbraw/zinc/40/58/05/1084405805.db2.gz NDUTVIAKZSHFLU-BQYQJAHWSA-N 0 0 359.476 4.235 10 0 FIAERN O=C(Nc1ccccc1OCC1CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000152586145 1085064145 /nfs/dbraw/zinc/06/41/45/1085064145.db2.gz XPGHFZZTIFOHDR-OAHLLOKOSA-N 0 0 357.479 4.343 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1oc2ccc(F)cc2c1C ZINC000408119744 1085168444 /nfs/dbraw/zinc/16/84/44/1085168444.db2.gz OBXUUJWTGNSWQX-INIZCTEOSA-N 0 0 355.413 4.208 10 0 FIAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC=C(c2cccs2)CC1 ZINC000152943685 1085333468 /nfs/dbraw/zinc/33/34/68/1085333468.db2.gz DDEWKTFYDMEWMW-UHFFFAOYSA-N 0 0 351.431 4.036 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3N3CCCCC3)CCO2)o1 ZINC000152984427 1085355556 /nfs/dbraw/zinc/35/55/56/1085355556.db2.gz LLLWEBOEMHAQEN-FQEVSTJZSA-N 0 0 369.465 4.184 10 0 FIAERN Cc1nc([C@@H]2CCCN2c2nc(-c3ccccn3)nc3c2CCC3)cs1 ZINC000302428685 1085392930 /nfs/dbraw/zinc/39/29/30/1085392930.db2.gz OFXFTDVISAVGIW-SFHVURJKSA-N 0 0 363.490 4.134 10 0 FIAERN CCc1csc([C@H]2CCCN(c3ncnc4cc(F)c(OC)cc43)C2)n1 ZINC000302561995 1085406274 /nfs/dbraw/zinc/40/62/74/1085406274.db2.gz LXDYYJMSKBPKRQ-LBPRGKRZSA-N 0 0 372.469 4.180 10 0 FIAERN C[C@@H]1SCCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H]1C ZINC000184372514 1086079666 /nfs/dbraw/zinc/07/96/66/1086079666.db2.gz 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ZINC000156072648 1086629864 /nfs/dbraw/zinc/62/98/64/1086629864.db2.gz SNJWLGYDCNGFDH-ICSRJNTNSA-N 0 0 370.518 4.001 10 0 FIAERN Cc1csc(C2CCN(Cc3nccn3Cc3ccccc3)CC2)n1 ZINC000156665293 1086736651 /nfs/dbraw/zinc/73/66/51/1086736651.db2.gz RXDMWCQNQZYQIH-UHFFFAOYSA-N 0 0 352.507 4.076 10 0 FIAERN Cc1c(NC(=O)N2CCC[C@H](c3nccs3)C2)cnn1-c1ccccc1 ZINC000156862339 1086783346 /nfs/dbraw/zinc/78/33/46/1086783346.db2.gz SKHZEJRZEWCRAF-HNNXBMFYSA-N 0 0 367.478 4.049 10 0 FIAERN Cn1nccc1C1CCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000156997470 1086814536 /nfs/dbraw/zinc/81/45/36/1086814536.db2.gz CYMWPWVSNUYBIB-KRWDZBQOSA-N 0 0 360.527 4.158 10 0 FIAERN CN(C(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCCc2c1cnn2C ZINC000157851323 1086986948 /nfs/dbraw/zinc/98/69/48/1086986948.db2.gz OSEVNXTWWSHSGX-YOEHRIQHSA-N 0 0 360.527 4.288 10 0 FIAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCc2sccc2C1 ZINC000140980370 1087475454 /nfs/dbraw/zinc/47/54/54/1087475454.db2.gz HSNMBRJSRUYNPC-UHFFFAOYSA-N 0 0 356.422 4.060 10 0 FIAERN 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C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000117589343 1109913519 /nfs/dbraw/zinc/91/35/19/1109913519.db2.gz YUAOEUHGFFROHG-ORAYPTAESA-N 0 0 362.385 4.035 10 0 FIAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117631568 1109917458 /nfs/dbraw/zinc/91/74/58/1109917458.db2.gz HRMVWXROOIHQRK-IFXJQAMLSA-N 0 0 361.401 4.081 10 0 FIAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000117719201 1109925807 /nfs/dbraw/zinc/92/58/07/1109925807.db2.gz WTXUVCIWWZTZBX-UHFFFAOYSA-N 0 0 354.431 4.163 10 0 FIAERN O=C(Nc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1)C1CC1 ZINC000117721001 1109926305 /nfs/dbraw/zinc/92/63/05/1109926305.db2.gz XKFDYWIMBSNNNN-UHFFFAOYSA-N 0 0 352.459 4.026 10 0 FIAERN COc1cc(F)c(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1OC ZINC000120776936 1110281198 /nfs/dbraw/zinc/28/11/98/1110281198.db2.gz CYHANPFKAFFVNP-UHFFFAOYSA-N 0 0 370.380 4.367 10 0 FIAERN CC(=O)Nc1ccc(C)c(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000121264719 1110321956 /nfs/dbraw/zinc/32/19/56/1110321956.db2.gz BHOVSZFJQJTLQL-UHFFFAOYSA-N 0 0 367.424 4.414 10 0 FIAERN COCc1csc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000151165225 1111907719 /nfs/dbraw/zinc/90/77/19/1111907719.db2.gz JBRINOJBWNPCLZ-HNNXBMFYSA-N 0 0 373.478 4.248 10 0 FIAERN O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151385936 1111975991 /nfs/dbraw/zinc/97/59/91/1111975991.db2.gz INCYRGLIQBCWQA-GHTZIAJQSA-N 0 0 370.880 4.169 10 0 FIAERN Cc1noc2ncc(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)cc12 ZINC000151680570 1112208919 /nfs/dbraw/zinc/20/89/19/1112208919.db2.gz FIDRZOFSCUMSSZ-KRWDZBQOSA-N 0 0 363.417 4.098 10 0 FIAERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000245904454 1112338214 /nfs/dbraw/zinc/33/82/14/1112338214.db2.gz FEDJUNMDHFOJPX-WDSOQIARSA-N 0 0 372.509 4.016 10 0 FIAERN C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccc(F)c(Cl)c1 ZINC000152758135 1112972629 /nfs/dbraw/zinc/97/26/29/1112972629.db2.gz YPAFMBNKIMIMJI-GDZNZVCISA-N 0 0 364.852 4.029 10 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/nfs/dbraw/zinc/35/06/08/1116350608.db2.gz VGUUSKKYPTVBQP-QKLQHJQFSA-N 0 0 352.482 4.177 10 0 FIAERN CC(C)c1csc([C@H]2CCCN(C(=O)Cc3[nH]nc4ccccc43)C2)n1 ZINC000173967280 1117739132 /nfs/dbraw/zinc/73/91/32/1117739132.db2.gz RXPBPFLIYRLAMW-AWEZNQCLSA-N 0 0 368.506 4.092 10 0 FIAERN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000129738861 1119205154 /nfs/dbraw/zinc/20/51/54/1119205154.db2.gz QJOWQOVMDINOPP-IIBYNOLFSA-N 0 0 367.449 4.033 10 0 FIAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2ccccc2c1 ZINC000155268867 1121251099 /nfs/dbraw/zinc/25/10/99/1121251099.db2.gz YYCJOJZVFHPZFK-MRXNPFEDSA-N 0 0 362.477 4.224 10 0 FIAERN COc1ccc(CC(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 ZINC000000629969 210253362 /nfs/dbraw/zinc/25/33/62/210253362.db2.gz WIAZLNJMKPQAEB-UHFFFAOYSA-N 0 0 357.413 4.191 10 0 FIAERN NC(=O)c1cccc(-c2cncc(Nc3cccc(Br)c3)c2)c1 ZINC000035996480 210244694 /nfs/dbraw/zinc/24/46/94/210244694.db2.gz OTBKMPNEGDWBTQ-UHFFFAOYSA-N 0 0 368.234 4.354 10 0 FIAERN COc1cccc(-c2cc(=O)[nH]c(Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000057341621 210208915 /nfs/dbraw/zinc/20/89/15/210208915.db2.gz FEWXTYFOTWHZHW-UHFFFAOYSA-N 0 0 361.323 4.208 10 0 FIAERN CCCc1cc(=O)oc2c1c1c(c3c2[C@H](O)[C@H](C)[C@@H](C)O3)C=CC(C)(C)O1 ZINC000000600322 210178585 /nfs/dbraw/zinc/17/85/85/210178585.db2.gz NIDRYBLTWYFCFV-SEDUGSJDSA-N 0 0 370.445 4.380 10 0 FIAERN COc1ccccc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000007318891 210093543 /nfs/dbraw/zinc/09/35/43/210093543.db2.gz BIQXZNIWOJPDRY-UHFFFAOYSA-N 0 0 369.490 4.267 10 0 FIAERN O=C(NCCCCn1ccnc1)c1cc2ccccc2n1Cc1ccccc1 ZINC000059443530 212017030 /nfs/dbraw/zinc/01/70/30/212017030.db2.gz FVPHIKIKZKJKNV-UHFFFAOYSA-N 0 0 372.472 4.096 10 0 FIAERN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000058446128 212010553 /nfs/dbraw/zinc/01/05/53/212010553.db2.gz DQIKJMRVTNBBSA-HOTGVXAUSA-N 0 0 362.882 4.247 10 0 FIAERN COc1ccc(NC2=C(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000013671641 220082401 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ZINC000040781397 211759700 /nfs/dbraw/zinc/75/97/00/211759700.db2.gz DUNVETCIRRFZCY-UHFFFAOYSA-N 0 0 374.217 4.448 10 0 FIAERN Cc1ccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2N)cc1Cl ZINC000040684609 211753329 /nfs/dbraw/zinc/75/33/29/211753329.db2.gz FJPUUODWYAKOBY-UHFFFAOYSA-N 0 0 369.812 4.237 10 0 FIAERN Cc1ccnc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)c1 ZINC000040701462 211752667 /nfs/dbraw/zinc/75/26/67/211752667.db2.gz PJBOHYBREIFHLL-UHFFFAOYSA-N 0 0 372.226 4.061 10 0 FIAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073654683 211688777 /nfs/dbraw/zinc/68/87/77/211688777.db2.gz DCSZWOYLIIJOAX-GJZGRUSLSA-N 0 0 356.507 4.279 10 0 FIAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1cc(Cl)ccc1C ZINC000036639112 211672433 /nfs/dbraw/zinc/67/24/33/211672433.db2.gz JIZRTNHOGSFAOZ-UHFFFAOYSA-N 0 0 362.216 4.410 10 0 FIAERN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2F)cc1 ZINC000036247438 211658606 /nfs/dbraw/zinc/65/86/06/211658606.db2.gz MHSGBXLJRCBCGW-UHFFFAOYSA-N 0 0 371.433 4.230 10 0 FIAERN CCOP(=O)(OCC)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000035654120 211644102 /nfs/dbraw/zinc/64/41/02/211644102.db2.gz MDIMWBGOUZAXEP-UHFFFAOYSA-N 0 0 369.361 4.097 10 0 FIAERN N=C(NC(=O)c1cc(Cl)cnc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000033381066 211603721 /nfs/dbraw/zinc/60/37/21/211603721.db2.gz ZCMHVSWFXPWMDJ-UHFFFAOYSA-N 0 0 363.031 4.451 10 0 FIAERN COc1cccc2c(C)cc(=O)n(CCC(=O)Nc3cccc(Cl)c3)c12 ZINC000032527749 211550118 /nfs/dbraw/zinc/55/01/18/211550118.db2.gz DVHSMNWLBWOHAZ-UHFFFAOYSA-N 0 0 370.836 4.001 10 0 FIAERN Cn1ccnc1[C@H](NCc1ccc(Br)s1)c1cccs1 ZINC000038018335 211355107 /nfs/dbraw/zinc/35/51/07/211355107.db2.gz REPDBFYGJRKCGH-CYBMUJFWSA-N 0 0 368.325 4.185 10 0 FIAERN CCOc1ccc(NC(=O)OC(C)(C)C)c(I)c1 ZINC000021987588 211331909 /nfs/dbraw/zinc/33/19/09/211331909.db2.gz NQHWQUCAWTWKAX-UHFFFAOYSA-N 0 0 363.195 4.037 10 0 FIAERN COc1ccc(NC(=O)c2ccnc(Nc3ccc(F)c(F)c3)c2)cc1 ZINC000021881879 211328760 /nfs/dbraw/zinc/32/87/60/211328760.db2.gz AMKLRDNCPICUKV-UHFFFAOYSA-N 0 0 355.344 4.364 10 0 FIAERN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)NC[C@@H](C)S2 ZINC000020762301 211295613 /nfs/dbraw/zinc/29/56/13/211295613.db2.gz DRKMFBZHAQBUIU-LLVKDONJSA-N 0 0 368.911 4.355 10 0 FIAERN CCCNC(=S)N(Cc1cccnc1)Cc1c(F)cccc1Cl ZINC000020595258 211288957 /nfs/dbraw/zinc/28/89/57/211288957.db2.gz IVAYTXCODFFMGE-UHFFFAOYSA-N 0 0 351.878 4.161 10 0 FIAERN Ic1ccccc1N[C@H]1CCOc2ccccc21 ZINC000020479822 211281577 /nfs/dbraw/zinc/28/15/77/211281577.db2.gz ODFKNFMFWKJPJS-ZDUSSCGKSA-N 0 0 351.187 4.227 10 0 FIAERN O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 ZINC000020369405 211276564 /nfs/dbraw/zinc/27/65/64/211276564.db2.gz AODWHRKOCAAQNI-UHFFFAOYSA-N 0 0 370.452 4.066 10 0 FIAERN C[C@@H](Nc1cccc2n[nH]cc21)c1ccc(I)cc1 ZINC000037783943 211272404 /nfs/dbraw/zinc/27/24/04/211272404.db2.gz PHHIAZRGFCSPNH-SNVBAGLBSA-N 0 0 363.202 4.341 10 0 FIAERN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000017962629 211188656 /nfs/dbraw/zinc/18/86/56/211188656.db2.gz NLGABTMJAUSWTQ-OAHLLOKOSA-N 0 0 367.470 4.043 10 0 FIAERN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000018109198 211192450 /nfs/dbraw/zinc/19/24/50/211192450.db2.gz YHKUHARBFCQANB-JTQLQIEISA-N 0 0 352.217 4.256 10 0 FIAERN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000017013161 211176119 /nfs/dbraw/zinc/17/61/19/211176119.db2.gz PNOKFRCVUHGEFF-UHFFFAOYSA-N 0 0 362.437 4.239 10 0 FIAERN CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000017055204 211175623 /nfs/dbraw/zinc/17/56/23/211175623.db2.gz ASYVCMVVFFBCRQ-NSHDSACASA-N 0 0 350.871 4.428 10 0 FIAERN Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1cc3ccccc3[nH]1)C2 ZINC000014994333 211113308 /nfs/dbraw/zinc/11/33/08/211113308.db2.gz KNUWMTBYLFQMMP-UHFFFAOYSA-N 0 0 371.440 4.330 10 0 FIAERN Oc1ccc(Cl)cc1Nc1nc2ccccc2c(NC[C@H]2CCCO2)n1 ZINC000013829548 211061903 /nfs/dbraw/zinc/06/19/03/211061903.db2.gz AJOLDLJFDRWYOI-CYBMUJFWSA-N 0 0 370.840 4.323 10 0 FIAERN CCc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 ZINC000013132180 211024747 /nfs/dbraw/zinc/02/47/47/211024747.db2.gz RFJZIXGPVVUVCV-SJORKVTESA-N 0 0 353.857 4.222 10 0 FIAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccc(CC)cc2)n1C(=O)CC ZINC000011638137 210887395 /nfs/dbraw/zinc/88/73/95/210887395.db2.gz BEHZSFXCLPQERX-VXPUYCOJSA-N 0 0 360.479 4.272 10 0 FIAERN Cc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(C)c1 ZINC000010121698 210864292 /nfs/dbraw/zinc/86/42/92/210864292.db2.gz YWERDXAGUHVDPR-UHFFFAOYSA-N 0 0 356.491 4.465 10 0 FIAERN CC(C)C[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)NCc1ccccc1 ZINC000009195385 210819338 /nfs/dbraw/zinc/81/93/38/210819338.db2.gz OPMDJMJNIINOLU-XVAXZDLZSA-N 0 0 372.553 4.296 10 0 FIAERN COc1ccc(-c2cc3ccccn3c2C(=O)c2cccnc2)c(OC)c1 ZINC000003204549 210454013 /nfs/dbraw/zinc/45/40/13/210454013.db2.gz BKQAVWMYGLTNNH-UHFFFAOYSA-N 0 0 358.397 4.250 10 0 FIAERN O=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)nc(Cl)c1 ZINC000002383364 210394263 /nfs/dbraw/zinc/39/42/63/210394263.db2.gz JHZYJBLIQKIJPQ-UHFFFAOYSA-N 0 0 360.653 4.169 10 0 FIAERN C[C@@H](Nc1ccccc1I)c1ccc2c(c1)OCO2 ZINC000020480040 220327470 /nfs/dbraw/zinc/32/74/70/220327470.db2.gz UHOSUXUXQWJFEI-SNVBAGLBSA-N 0 0 367.186 4.193 10 0 FIAERN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccccc2C)cc1 ZINC000001225497 210337237 /nfs/dbraw/zinc/33/72/37/210337237.db2.gz IWNXHAHEPWXVGO-XSFVSMFZSA-N 0 0 360.413 4.306 10 0 FIAERN CCOC(=O)c1sc2nc(-c3cccc(Br)c3)cn2c1C ZINC000040437593 220907465 /nfs/dbraw/zinc/90/74/65/220907465.db2.gz MEZANYIHFAEYCV-UHFFFAOYSA-N 0 0 365.252 4.310 10 0 FIAERN O=C(Nc1ccc2c(c1)ncnc2N1CCCC1)c1c(F)cccc1Cl ZINC000065134908 221171075 /nfs/dbraw/zinc/17/10/75/221171075.db2.gz MMIKBGFUYFIERZ-UHFFFAOYSA-N 0 0 370.815 4.275 10 0 FIAERN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccco4)C3)n2)c1 ZINC000065148037 221171913 /nfs/dbraw/zinc/17/19/13/221171913.db2.gz CAGZEJGMWLXMDK-INIZCTEOSA-N 0 0 362.433 4.141 10 0 FIAERN Cc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCc1ncnn1C ZINC000065536337 221232889 /nfs/dbraw/zinc/23/28/89/221232889.db2.gz WBLHJQCXNFRQLS-UHFFFAOYSA-N 0 0 361.424 4.036 10 0 FIAERN C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000071861964 221383555 /nfs/dbraw/zinc/38/35/55/221383555.db2.gz MWPIGUOCVLKZMF-OAHLLOKOSA-N 0 0 373.518 4.020 10 0 FIAERN Cc1ccccc1-c1ncc(CN2CC[C@]3(CCCO3)CCC2=O)s1 ZINC000072148108 221426348 /nfs/dbraw/zinc/42/63/48/221426348.db2.gz CAEVJSVLSHLTBS-FQEVSTJZSA-N 0 0 356.491 4.180 10 0 FIAERN COc1ccc(-c2cc(=O)[nH]c(N3c4ccc(F)cc4CC[C@@H]3C)n2)cc1 ZINC000057341800 132376427 /nfs/dbraw/zinc/37/64/27/132376427.db2.gz QDXNTXASOTXPDW-ZDUSSCGKSA-N 0 0 365.408 4.057 10 0 FIAERN O=C1CCN(c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073679069 132376755 /nfs/dbraw/zinc/37/67/55/132376755.db2.gz AYKNLHSLOFOZAA-UHFFFAOYSA-N 0 0 364.836 4.028 10 0 FIAERN CC[C@@H](Sc1nc2ncccc2o1)C(=O)N1CCCc2ccccc21 ZINC000021920044 132903376 /nfs/dbraw/zinc/90/33/76/132903376.db2.gz SKBQNFZNVUPGOE-MRXNPFEDSA-N 0 0 353.447 4.073 10 0 FIAERN O=C(Nc1ccccc1F)[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000033174165 132931065 /nfs/dbraw/zinc/93/10/65/132931065.db2.gz 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/nfs/dbraw/zinc/65/89/80/221658980.db2.gz XCJBZXPVCAYPKC-UHFFFAOYSA-N 0 0 367.044 4.337 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2ccccc2nc1Cl ZINC000095085881 221846570 /nfs/dbraw/zinc/84/65/70/221846570.db2.gz ZTXYWOZYSRURQP-GFCCVEGCSA-N 0 0 363.845 4.062 10 0 FIAERN Cc1cc(OCCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 ZINC000095089970 221848593 /nfs/dbraw/zinc/84/85/93/221848593.db2.gz PLICWNDVEDSYSV-AWEZNQCLSA-N 0 0 369.893 4.245 10 0 FIAERN CCOC(=O)c1sc(Br)nc1Cc1ccccc1OCC ZINC000098177740 222230234 /nfs/dbraw/zinc/23/02/34/222230234.db2.gz WGFLWDWCPHXSOY-UHFFFAOYSA-N 0 0 370.268 4.072 10 0 FIAERN Cc1ccccc1[C@@H]1CC(c2ccc(Br)s2)=Nc2ncnn21 ZINC000101089844 222262116 /nfs/dbraw/zinc/26/21/16/222262116.db2.gz BQRJMVPYZMAKHH-ZDUSSCGKSA-N 0 0 373.279 4.467 10 0 FIAERN CO[C@@](C)(CNC(=O)/C=C\c1ccc(SC)cc1)c1ccccc1F ZINC000101322388 222269803 /nfs/dbraw/zinc/26/98/03/222269803.db2.gz GZJVWAGIALRBMB-IMTHGLKYSA-N 0 0 359.466 4.239 10 0 FIAERN O=C(Nc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105849258 222377939 /nfs/dbraw/zinc/37/79/39/222377939.db2.gz AATAHGPZTHLWIZ-SNVBAGLBSA-N 0 0 367.207 4.124 10 0 FIAERN Cc1c(C(=O)N[C@@H](C)c2cccc3ccccc32)nnn1-c1ccc(F)cc1 ZINC000105938333 222379122 /nfs/dbraw/zinc/37/91/22/222379122.db2.gz QJAYNDCJIRFFPP-AWEZNQCLSA-N 0 0 374.419 4.359 10 0 FIAERN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652642 520006905 /nfs/dbraw/zinc/00/69/05/520006905.db2.gz HRHMSDDFRMSSCB-QGZVFWFLSA-N 0 0 362.470 4.045 10 0 FIAERN CCOC(=O)c1cc2c(cnn2-c2ccccc2)c(NCc2ccccc2)n1 ZINC000089220222 521450393 /nfs/dbraw/zinc/45/03/93/521450393.db2.gz LMRADDVCEWTENW-UHFFFAOYSA-N 0 0 372.428 4.209 10 0 FIAERN O[C@](/C=C\c1ccc(Cl)cc1Cl)(Cn1ccnc1)c1cccnc1 ZINC000091365815 526319027 /nfs/dbraw/zinc/31/90/27/526319027.db2.gz YHAHQXULDGXJHH-OOFWQKGWSA-N 0 0 360.244 4.186 10 0 FIAERN NC(=S)Nc1nc(-c2csc3ccccc32)cc(C(F)(F)F)n1 ZINC000390823419 527111039 /nfs/dbraw/zinc/11/10/39/527111039.db2.gz AUJGUHPCOIEJTE-UHFFFAOYSA-N 0 0 354.382 4.033 10 0 FIAERN CCc1ccc(N2CN(CCC(C)C)Cn3c(=O)c(CC)c(C)nc32)cc1 ZINC000072442010 536185255 /nfs/dbraw/zinc/18/52/55/536185255.db2.gz CZZPQVGCQAVHRG-UHFFFAOYSA-N 0 0 368.525 4.091 10 0 FIAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330259203 567907553 /nfs/dbraw/zinc/90/75/53/567907553.db2.gz RWARTQPBPYMTTD-UZLBHIALSA-N 0 0 360.461 4.133 10 0 FIAERN c1ccc2c(c1)OCCC[C@@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188592601 567975442 /nfs/dbraw/zinc/97/54/42/567975442.db2.gz QUMOSTDHNPMMJC-IBGZPJMESA-N 0 0 360.461 4.141 10 0 FIAERN CCOc1ccc([C@H](NC(=O)[C@H]2CCCO[C@@H]2C)c2ccccc2)cc1 ZINC000188616291 567995069 /nfs/dbraw/zinc/99/50/69/567995069.db2.gz ILFQFEHPFNUCPE-TYCQWZJGSA-N 0 0 353.462 4.106 10 0 FIAERN Cc1nnc([C@@H](N[C@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000162463827 568023499 /nfs/dbraw/zinc/02/34/99/568023499.db2.gz KQZBRYXTPCBZRA-WMZOPIPTSA-N 0 0 354.454 4.168 10 0 FIAERN CSCC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nc2ccccc2[nH]1 ZINC000159341127 568159858 /nfs/dbraw/zinc/15/98/58/568159858.db2.gz NTYUTRKSBRSKCM-SWLSCSKDSA-N 0 0 359.520 4.339 10 0 FIAERN C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c2ccccc21 ZINC000153162092 568162649 /nfs/dbraw/zinc/16/26/49/568162649.db2.gz XQUWQOPSYPDFEP-GIYDNNGJSA-N 0 0 352.482 4.114 10 0 FIAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C[C@H](C)O1 ZINC000408255960 568206299 /nfs/dbraw/zinc/20/62/99/568206299.db2.gz JXTPNOPKMZGGII-IVSAIRAKSA-N 0 0 373.522 4.346 10 0 FIAERN CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC[C@H]4CCC[C@@H]43)cc2)no1 ZINC000330306775 568218336 /nfs/dbraw/zinc/21/83/36/568218336.db2.gz LLSMSGYJEUEOQV-PBHICJAKSA-N 0 0 353.466 4.340 10 0 FIAERN O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@@H]2CCC[C@H]21 ZINC000330330767 568245685 /nfs/dbraw/zinc/24/56/85/568245685.db2.gz XDZOBBMAMIRCDZ-KBXCAEBGSA-N 0 0 364.474 4.010 10 0 FIAERN CCn1cc(Br)cc1C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037844415 568724310 /nfs/dbraw/zinc/72/43/10/568724310.db2.gz SHCAORLCMUUUSF-VIFPVBQESA-N 0 0 357.198 4.040 10 0 FIAERN O=C(CC[C@H]1CCCN(C(=O)C2=CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000011814778 570595622 /nfs/dbraw/zinc/59/56/22/570595622.db2.gz UWAIDJIWIUKVAK-OAHLLOKOSA-N 0 0 360.885 4.408 10 0 FIAERN CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1Cl ZINC000010475460 570701307 /nfs/dbraw/zinc/70/13/07/570701307.db2.gz IJYCEJJKZGXXCT-GOSISDBHSA-N 0 0 372.852 4.006 10 0 FIAERN O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1cccc(F)c1 ZINC000008380364 571042711 /nfs/dbraw/zinc/04/27/11/571042711.db2.gz UYBKSMSJRCQNSY-LJQANCHMSA-N 0 0 353.372 4.403 10 0 FIAERN CCOc1ccc(C(=O)N(C[C@@H]2COc3ccccc3C2)C(C)C)cc1 ZINC000032985080 571082903 /nfs/dbraw/zinc/08/29/03/571082903.db2.gz AITKOGZWDYJCQN-QGZVFWFLSA-N 0 0 353.462 4.187 10 0 FIAERN Cc1ccc2c(c1)CN(CC(=O)NC1CCCC1)C[C@H](c1ccsc1)O2 ZINC000039358287 571142263 /nfs/dbraw/zinc/14/22/63/571142263.db2.gz QIWXZMUBERIKGA-HXUWFJFHSA-N 0 0 370.518 4.051 10 0 FIAERN CCn1c([C@@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)nc2cccnc21 ZINC000097139255 571205085 /nfs/dbraw/zinc/20/50/85/571205085.db2.gz PYMNAPDCCKOQHZ-MRXNPFEDSA-N 0 0 363.465 4.089 10 0 FIAERN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(OC)c(F)c1)CC2 ZINC000065148824 571255015 /nfs/dbraw/zinc/25/50/15/571255015.db2.gz UDFWAEYZRZTYEX-UHFFFAOYSA-N 0 0 367.424 4.399 10 0 FIAERN CC(C)Cc1nnc(NCc2sc(N(C)C)nc2-c2ccccc2)o1 ZINC000170592348 571266309 /nfs/dbraw/zinc/26/63/09/571266309.db2.gz NEHWZLMRKYVSQF-UHFFFAOYSA-N 0 0 357.483 4.070 10 0 FIAERN O=C1C2=NN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2CN1C1CCCCC1 ZINC000048522788 571308693 /nfs/dbraw/zinc/30/86/93/571308693.db2.gz ISGMNIMPQHJGON-GGAORHGYSA-N 0 0 373.500 4.391 10 0 FIAERN Cc1ccc(NC(=O)/C=C/c2c3c(ccc2Br)OCO3)cc1 ZINC000048545684 571308913 /nfs/dbraw/zinc/30/89/13/571308913.db2.gz LHEMVCXAWVNYDL-RMKNXTFCSA-N 0 0 360.207 4.138 10 0 FIAERN COc1ccc(Br)cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116490518 1079525331 /nfs/dbraw/zinc/52/53/31/1079525331.db2.gz OIUBSDOBQXDJKH-ZDUSSCGKSA-N 0 0 365.227 4.420 10 0 FIAERN CC(C)c1nc2ccc(NC(=O)N3CC[C@@H](c4cnn(C)c4)C3)cc2s1 ZINC000116493411 1079526458 /nfs/dbraw/zinc/52/64/58/1079526458.db2.gz ILAOSLPEYBHVOZ-CYBMUJFWSA-N 0 0 369.494 4.175 10 0 FIAERN CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116781977 1079579628 /nfs/dbraw/zinc/57/96/28/1079579628.db2.gz QLMALPZAZATQMP-WOJBJXKFSA-N 0 0 360.546 4.130 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)C2)c1 ZINC000111856006 1079902327 /nfs/dbraw/zinc/90/23/27/1079902327.db2.gz QEGLUVOVAUGWEQ-WOJBJXKFSA-N 0 0 352.482 4.079 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000151922371 1080383422 /nfs/dbraw/zinc/38/34/22/1080383422.db2.gz FCDKDKRFIGRYMD-WMLDXEAASA-N 0 0 360.889 4.207 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000246557691 1082799301 /nfs/dbraw/zinc/79/93/01/1082799301.db2.gz HBFJGYKLLANIPR-UPJWGTAASA-N 0 0 374.407 4.161 10 0 FIAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000328832814 1082959554 /nfs/dbraw/zinc/95/95/54/1082959554.db2.gz KWJAWOJRBSUQNC-GOSISDBHSA-N 0 0 366.490 4.313 10 0 FIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000151652857 1084077659 /nfs/dbraw/zinc/07/76/59/1084077659.db2.gz UIBHSUIUQQLJSE-WMLDXEAASA-N 0 0 367.449 4.064 10 0 FIAERN Cc1cnn(CC2CCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CC2)c1 ZINC000332711306 1084789249 /nfs/dbraw/zinc/78/92/49/1084789249.db2.gz MEECUJZZOAIMAP-UTKZUKDTSA-N 0 0 366.509 4.252 10 0 FIAERN O=C(Nc1cccc(-c2ncco2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000152380500 1084853515 /nfs/dbraw/zinc/85/35/15/1084853515.db2.gz HRJGCGGFWJHVJK-CQSZACIVSA-N 0 0 354.435 4.210 10 0 FIAERN O=C(Nc1ccccc1OCC1CC1)N1CCC[C@H](c2nccs2)C1 ZINC000152586050 1085064392 /nfs/dbraw/zinc/06/43/92/1085064392.db2.gz XPGHFZZTIFOHDR-HNNXBMFYSA-N 0 0 357.479 4.343 10 0 FIAERN O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408120348 1085170205 /nfs/dbraw/zinc/17/02/05/1085170205.db2.gz FYRBSBNYXCNDCJ-OIISXLGYSA-N 0 0 371.308 4.219 10 0 FIAERN CC1(C)C[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c2ccc(F)cc2O1 ZINC000408148799 1085253400 /nfs/dbraw/zinc/25/34/00/1085253400.db2.gz IGWMOWNWKRKDLT-DLBZAZTESA-N 0 0 372.444 4.088 10 0 FIAERN Cc1csc([C@@H]2CCCN(c3cc(-c4nc(C(C)C)no4)ccn3)C2)n1 ZINC000301408193 1085263738 /nfs/dbraw/zinc/26/37/38/1085263738.db2.gz NFSVHQGMQZOLMF-OAHLLOKOSA-N 0 0 369.494 4.404 10 0 FIAERN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120990971 1085908405 /nfs/dbraw/zinc/90/84/05/1085908405.db2.gz PFPYEBXDWUZWRT-LMNJBCLMSA-N 0 0 360.473 4.004 10 0 FIAERN Cc1c(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)[nH]c2c1C(=O)CCC2 ZINC000408261266 1086097475 /nfs/dbraw/zinc/09/74/75/1086097475.db2.gz NATWVXDECZIIEB-WMLDXEAASA-N 0 0 350.462 4.250 10 0 FIAERN CSCCc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000153905991 1086244359 /nfs/dbraw/zinc/24/43/59/1086244359.db2.gz QOZQTHHFGLUAGY-GOSISDBHSA-N 0 0 360.479 4.099 10 0 FIAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330254547 1086287233 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C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000246855689 1087418893 /nfs/dbraw/zinc/41/88/93/1087418893.db2.gz BQUKOMADERZCCR-XAYKYTGQSA-N 0 0 371.308 4.391 10 0 FIAERN Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccc(C)o1)CCC2 ZINC000407964817 1088483236 /nfs/dbraw/zinc/48/32/36/1088483236.db2.gz JKLQXHGPLUCLET-FHLIZLRMSA-N 0 0 370.497 4.153 10 0 FIAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000408005617 1088743797 /nfs/dbraw/zinc/74/37/97/1088743797.db2.gz UHYGQTFCUYADBM-CMKODMSKSA-N 0 0 369.509 4.112 10 0 FIAERN Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1F ZINC000408020395 1088832338 /nfs/dbraw/zinc/83/23/38/1088832338.db2.gz HOIQMPMTWABRJL-APPDUMDISA-N 0 0 358.816 4.086 10 0 FIAERN Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000408056228 1089905957 /nfs/dbraw/zinc/90/59/57/1089905957.db2.gz FBZIZRDXBSIELU-SXGZJXTBSA-N 0 0 364.555 4.295 10 0 FIAERN Cc1c(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)cnc2ccccc12 ZINC000408060008 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CCCCOc1cccc(NC(=S)NC(=O)c2ccc(OC)cc2)c1 ZINC000009696549 210848911 /nfs/dbraw/zinc/84/89/11/210848911.db2.gz QYIJYJVFOQYRGH-UHFFFAOYSA-N 0 0 358.463 4.001 10 0 FIAERN Cc1ccc(CSc2nc3c(cnn3-c3ccccc3C)c(=O)[nH]2)cc1 ZINC000009522255 210839789 /nfs/dbraw/zinc/83/97/89/210839789.db2.gz HHXRSFGZVLRDQI-UHFFFAOYSA-N 0 0 362.458 4.430 10 0 FIAERN O=C(Nc1ccccc1)Nc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000003114951 210450269 /nfs/dbraw/zinc/45/02/69/210450269.db2.gz RMMMRIXGEFHKMK-UHFFFAOYSA-N 0 0 357.369 4.131 10 0 FIAERN COc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1Br ZINC000002761765 210420062 /nfs/dbraw/zinc/42/00/62/210420062.db2.gz KPVJEKVVAKJQAP-PKNBQFBNSA-N 0 0 352.272 4.310 10 0 FIAERN CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 ZINC000002460026 210399393 /nfs/dbraw/zinc/39/93/93/210399393.db2.gz RNLCLAOFGCZEEI-MOPGFXCFSA-N 0 0 368.502 4.108 10 0 FIAERN CCOC(=O)C(C=Nc1cccc(Cl)c1SC(C)C)C(=O)OCC ZINC000002381194 210395047 /nfs/dbraw/zinc/39/50/47/210395047.db2.gz ASPPCCGMIFBYMT-UHFFFAOYSA-N 0 0 371.886 4.263 10 0 FIAERN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000001961988 210377305 /nfs/dbraw/zinc/37/73/05/210377305.db2.gz VSHPQZMKBSXZQK-LXSSAFMLSA-N 0 0 374.893 4.277 10 0 FIAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 ZINC000001937114 210375177 /nfs/dbraw/zinc/37/51/77/210375177.db2.gz RRHGEFFSIIDVTK-QHHAFSJGSA-N 0 0 350.201 4.417 10 0 FIAERN Cc1cc(S(=O)(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(C)cc1Cl ZINC000001042167 210305724 /nfs/dbraw/zinc/30/57/24/210305724.db2.gz PNHUNOCWMVLGEX-QANKJYHBSA-N 0 0 355.931 4.450 10 0 FIAERN C[C@@H](NC(=O)c1ccc(Br)o1)c1cccc(Br)c1 ZINC000042238907 220936041 /nfs/dbraw/zinc/93/60/41/220936041.db2.gz RWKJSLCDSXXEAB-MRVPVSSYSA-N 0 0 373.044 4.296 10 0 FIAERN NC(=S)c1ccc(NCc2ccc(Br)cc2)cc1Cl ZINC000061849118 221135820 /nfs/dbraw/zinc/13/58/20/221135820.db2.gz VCFWBLXEERGACR-UHFFFAOYSA-N 0 0 355.688 4.349 10 0 FIAERN CCc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(Br)c1 ZINC000065000296 221163254 /nfs/dbraw/zinc/16/32/54/221163254.db2.gz MDJRFWDGZBPQOC-UHFFFAOYSA-N 0 0 364.239 4.281 10 0 FIAERN COc1c(C)cnc(Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)c1C ZINC000067741761 221279357 /nfs/dbraw/zinc/27/93/57/221279357.db2.gz POKQWLPNLUQPKV-UHFFFAOYSA-N 0 0 359.433 4.009 10 0 FIAERN Nc1c(Oc2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1 ZINC000040729446 136120299 /nfs/dbraw/zinc/12/02/99/136120299.db2.gz MLJKCDJSHQPVTN-UHFFFAOYSA-N 0 0 360.461 4.310 10 0 FIAERN CCCCCN1CN(c2ccc(C)c(C)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000072442874 136147850 /nfs/dbraw/zinc/14/78/50/136147850.db2.gz KYZZCJBSPNZCOC-UHFFFAOYSA-N 0 0 354.498 4.036 10 0 FIAERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1nsc2ccccc21 ZINC000095075569 221844618 /nfs/dbraw/zinc/84/46/18/221844618.db2.gz FKHQRQYSPAWQBX-UHFFFAOYSA-N 0 0 361.511 4.380 10 0 FIAERN CCOC(=O)c1ccccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000095929927 221971846 /nfs/dbraw/zinc/97/18/46/221971846.db2.gz STTKFIIEOSDVBQ-CVEARBPZSA-N 0 0 357.450 4.419 10 0 FIAERN CC(C)(C)OC(=O)N1CCC2(CC1)CCNc1cc(Cl)ccc1O2 ZINC000096028988 221993350 /nfs/dbraw/zinc/99/33/50/221993350.db2.gz URVNNBRSXDECDA-UHFFFAOYSA-N 0 0 352.862 4.304 10 0 FIAERN O=C(N[C@H](COC(F)(F)F)Cc1ccccc1)OCc1ccccc1 ZINC000096308350 222113284 /nfs/dbraw/zinc/11/32/84/222113284.db2.gz DPQWTPUMPHSIHQ-INIZCTEOSA-N 0 0 353.340 4.061 10 0 FIAERN Cc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2cc(F)ccc12 ZINC000098180626 222229889 /nfs/dbraw/zinc/22/98/89/222229889.db2.gz KRSIZYNVNAFGCF-UHFFFAOYSA-N 0 0 374.419 4.367 10 0 FIAERN CC[C@H](C)Nc1c(Br)cc(Br)cc1C(=O)OC ZINC000103990491 222348788 /nfs/dbraw/zinc/34/87/88/222348788.db2.gz IZQBUXDTOGOMBP-ZETCQYMHSA-N 0 0 365.065 4.209 10 0 FIAERN Cc1ccc(C[C@@H](O)c2cccc(I)c2)cc1C ZINC000104184944 222352391 /nfs/dbraw/zinc/35/23/91/222352391.db2.gz DBUKHKHYEDOMSE-MRXNPFEDSA-N 0 0 352.215 4.184 10 0 FIAERN CN(C(=O)c1cccc(NC(=O)C(C)(C)C)c1)[C@H]1CCc2ccccc21 ZINC000105649683 222371882 /nfs/dbraw/zinc/37/18/82/222371882.db2.gz GUSNUERQOSVEDA-IBGZPJMESA-N 0 0 350.462 4.431 10 0 FIAERN CCC(=O)Nc1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 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211954610 /nfs/dbraw/zinc/95/46/10/211954610.db2.gz CIBZFYIXKHCDJI-NSHDSACASA-N 0 0 360.816 4.319 10 0 FIAERN Nc1cccc2c1CN(c1ccc(Br)cc1Br)C2 ZINC000049185831 211885884 /nfs/dbraw/zinc/88/58/84/211885884.db2.gz LAOAEPDPNKKFRA-UHFFFAOYSA-N 0 0 368.072 4.314 10 0 FIAERN C/C=C/c1ccc(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000014762025 220132900 /nfs/dbraw/zinc/13/29/00/220132900.db2.gz NUDWCJJMQATDKB-WUFITARHSA-N 0 0 358.434 4.246 10 0 biogenic,in-vitro FIAERN CC(=O)c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 ZINC000044603293 211799105 /nfs/dbraw/zinc/79/91/05/211799105.db2.gz UDFGUGZHBVIIPB-UHFFFAOYSA-N 0 0 360.365 4.328 10 0 FIAERN O=C(Nc1ccnc2c(F)cc(F)cc12)c1ccc(Br)o1 ZINC000041058162 211767758 /nfs/dbraw/zinc/76/77/58/211767758.db2.gz UBOHOANDYPPZFP-UHFFFAOYSA-N 0 0 353.122 4.121 10 0 FIAERN CCOC(=O)c1cc(Cl)c(NC(=O)CCc2ccccc2)cc1OC ZINC000041011429 211767609 /nfs/dbraw/zinc/76/76/09/211767609.db2.gz LSVMTHNOLHJEBY-UHFFFAOYSA-N 0 0 361.825 4.097 10 0 FIAERN CCc1cc(Br)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000040942961 211764080 /nfs/dbraw/zinc/76/40/80/211764080.db2.gz KCMGATLQMHDYNS-UHFFFAOYSA-N 0 0 352.203 4.168 10 0 FIAERN Nc1c(Nc2cccc(Br)c2)ncnc1Oc1ccccc1 ZINC000040796040 211759497 /nfs/dbraw/zinc/75/94/97/211759497.db2.gz USNQBOBATRNWOS-UHFFFAOYSA-N 0 0 357.211 4.357 10 0 FIAERN Nc1c(Nc2cccc(Br)c2)ncnc1OC1CCCCC1 ZINC000040797399 211758686 /nfs/dbraw/zinc/75/86/86/211758686.db2.gz QKVYMKGBBRDZFE-UHFFFAOYSA-N 0 0 363.259 4.276 10 0 FIAERN COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC ZINC000040863074 211760877 /nfs/dbraw/zinc/76/08/77/211760877.db2.gz WZEMDWPKLKAUOH-UHFFFAOYSA-N 0 0 355.415 4.067 10 0 FIAERN Nc1c(NCc2ccco2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040761251 211759776 /nfs/dbraw/zinc/75/97/76/211759776.db2.gz UBTLSLBKFFNNIF-UHFFFAOYSA-N 0 0 350.209 4.314 10 0 FIAERN Cc1ccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)nc1 ZINC000040701859 211752505 /nfs/dbraw/zinc/75/25/05/211752505.db2.gz PGFGVZVECCGJMN-UHFFFAOYSA-N 0 0 360.343 4.268 10 0 FIAERN CCOc1ccc(/C=C2\N=C(c3ccccc3C)N(C)C2=O)cc1OCC ZINC000039132413 211705970 /nfs/dbraw/zinc/70/59/70/211705970.db2.gz CFJXYCATTSIBMU-AQTBWJFISA-N 0 0 364.445 4.052 10 0 FIAERN O=C(c1cnn(-c2cccc(Cl)c2)c1-c1ccccc1)N1CCCC1 ZINC000036016206 211648094 /nfs/dbraw/zinc/64/80/94/211648094.db2.gz YTJMBKZCHZLQHS-UHFFFAOYSA-N 0 0 351.837 4.429 10 0 FIAERN CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)NC(=O)C(C)(C)NC=O ZINC000035086280 211629471 /nfs/dbraw/zinc/62/94/71/211629471.db2.gz REFAXTQPTQFEPN-SOIVGHGOSA-N 0 0 371.308 4.062 10 0 FIAERN O=C(Cc1ccccc1F)N1CCC(CCOc2ccccc2F)CC1 ZINC000033311823 211599054 /nfs/dbraw/zinc/59/90/54/211599054.db2.gz KIBYNJSWMIVVOF-UHFFFAOYSA-N 0 0 359.416 4.215 10 0 FIAERN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NC(C)C)c3)n2)c1 ZINC000033130550 211589853 /nfs/dbraw/zinc/58/98/53/211589853.db2.gz PVXDJUVUJNYWPZ-UHFFFAOYSA-N 0 0 363.417 4.083 10 0 FIAERN O=C(NCCc1ccccc1)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033254372 211592661 /nfs/dbraw/zinc/59/26/61/211592661.db2.gz VEIMSGKKQDGJAZ-UHFFFAOYSA-N 0 0 361.445 4.367 10 0 FIAERN C/C=C/[C@H]1[C@@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C ZINC000030690591 211523855 /nfs/dbraw/zinc/52/38/55/211523855.db2.gz KVIZNNVXXNFLMU-WTIVYXKASA-N 0 0 360.347 4.281 10 0 in-man FIAERN C[C@@H]1CN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000029505107 211513229 /nfs/dbraw/zinc/51/32/29/211513229.db2.gz LPLWEERRKGWLCP-ZIAGYGMSSA-N 0 0 368.458 4.320 10 0 FIAERN CCOc1c(OCC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O ZINC000029313561 211510005 /nfs/dbraw/zinc/51/00/05/211510005.db2.gz XLOMNYLYNKKZAT-UHFFFAOYSA-N 0 0 366.797 4.141 10 0 FIAERN CC(C)CN(CC(C)C)C(=O)c1nn(-c2ccc(F)cc2)c2ncccc12 ZINC000023307730 211381874 /nfs/dbraw/zinc/38/18/74/211381874.db2.gz JYJPWWZWILNFKT-UHFFFAOYSA-N 0 0 368.456 4.314 10 0 FIAERN Cc1ccc(Cl)c(NS(=O)(=O)c2ccnc(Cl)c2)c1Cl ZINC000038008490 211344506 /nfs/dbraw/zinc/34/45/06/211344506.db2.gz IOMKGZZJWJZGJO-UHFFFAOYSA-N 0 0 351.642 4.151 10 0 FIAERN C[C@@H](Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Br)s1 ZINC000038002548 211344183 /nfs/dbraw/zinc/34/41/83/211344183.db2.gz JZTUSSQSMLVRSQ-SNVBAGLBSA-N 0 0 353.285 4.386 10 0 FIAERN C[C@H](Nc1ccccc1C(=O)N(C)C)c1ccc(Br)s1 ZINC000038003117 211342871 /nfs/dbraw/zinc/34/28/71/211342871.db2.gz ZELNRCGCHJCKDZ-JTQLQIEISA-N 0 0 353.285 4.386 10 0 FIAERN C[C@H](Nc1ccccc1SCC(N)=O)c1ccc(Br)s1 ZINC000038002895 211342997 /nfs/dbraw/zinc/34/29/97/211342997.db2.gz BZWNKSIFXBVSAW-VIFPVBQESA-N 0 0 371.325 4.261 10 0 FIAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038002968 211342398 /nfs/dbraw/zinc/34/23/98/211342398.db2.gz NKYQQQCTTQQNRJ-SNVBAGLBSA-N 0 0 353.285 4.352 10 0 FIAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(Br)s2)c1C ZINC000038003069 211341850 /nfs/dbraw/zinc/34/18/50/211341850.db2.gz BMUGJEHEBMXHQH-JTQLQIEISA-N 0 0 353.285 4.352 10 0 FIAERN COc1cc2c(cc1OC)[C@@H](C(C)C)N(C(=O)c1ccccc1C)CC2 ZINC000022624496 211358207 /nfs/dbraw/zinc/35/82/07/211358207.db2.gz QEDBFBCIBQYKNG-OAQYLSRUSA-N 0 0 353.462 4.408 10 0 FIAERN CCOC(=O)[C@H](NC1CCCCC1)c1cc(Br)ccc1F ZINC000037972193 211327188 /nfs/dbraw/zinc/32/71/88/211327188.db2.gz KNDGLKVPKVVWDX-OAHLLOKOSA-N 0 0 358.251 4.115 10 0 FIAERN O=C(Nc1ccccc1C(=O)Nc1nccs1)c1cc2ccccc2o1 ZINC000021142512 211309210 /nfs/dbraw/zinc/30/92/10/211309210.db2.gz AOSHRPUPQPIKQZ-UHFFFAOYSA-N 0 0 363.398 4.394 10 0 FIAERN O=C(Nc1cc(NC(=O)C2CC2)cc(-c2nc3ccccc3o2)c1)C1CC1 ZINC000021027413 211302463 /nfs/dbraw/zinc/30/24/63/211302463.db2.gz DFDICWFJWMYQNR-UHFFFAOYSA-N 0 0 361.401 4.192 10 0 FIAERN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)n1 ZINC000020775333 211295901 /nfs/dbraw/zinc/29/59/01/211295901.db2.gz DSWRHAYYSWTBIN-NRFANRHFSA-N 0 0 360.486 4.476 10 0 FIAERN CCC(CC)C(=O)NC12CC3CC(C1)CC(NC(=O)C(CC)CC)(C3)C2 ZINC000021126420 211308080 /nfs/dbraw/zinc/30/80/80/211308080.db2.gz AZWRQCZYRVJGIT-UHFFFAOYSA-N 0 0 362.558 4.183 10 0 FIAERN COc1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000015053317 211115391 /nfs/dbraw/zinc/11/53/91/211115391.db2.gz BCNAGHAIRUFAMR-UDIJICLVSA-N 0 0 374.849 4.413 10 0 FIAERN COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000015331764 211127900 /nfs/dbraw/zinc/12/79/00/211127900.db2.gz QXALAGQPLWRVLE-LLVKDONJSA-N 0 0 374.289 4.350 10 0 FIAERN CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000015053674 211117189 /nfs/dbraw/zinc/11/71/89/211117189.db2.gz DCAXUOTWDBVZRV-VTPWGRHDSA-N 0 0 366.442 4.227 10 0 FIAERN NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1 ZINC000013755789 211057817 /nfs/dbraw/zinc/05/78/17/211057817.db2.gz HMKMEDJAHJBTLO-UHFFFAOYSA-N 0 0 363.360 4.085 10 0 FIAERN NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCC3)C2)cc1 ZINC000013816917 211062058 /nfs/dbraw/zinc/06/20/58/211062058.db2.gz DFJVUELGIACRGE-UHFFFAOYSA-N 0 0 357.450 4.348 10 0 FIAERN Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(OCCO)c3)cc2c(=O)[nH]1 ZINC000013679450 211048628 /nfs/dbraw/zinc/04/86/28/211048628.db2.gz SFLUCHRLEIGXBQ-UHFFFAOYSA-N 0 0 372.852 4.046 10 0 FIAERN CS(=O)(=O)c1ccc(-c2ccccc2C(=O)c2cccc(F)c2)cc1 ZINC000013530507 211036959 /nfs/dbraw/zinc/03/69/59/211036959.db2.gz QPBNAIKJFZPTJE-UHFFFAOYSA-N 0 0 354.402 4.127 10 0 FIAERN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000012373069 210947296 /nfs/dbraw/zinc/94/72/96/210947296.db2.gz MLYFECLJKVZVNS-LJQANCHMSA-N 0 0 370.452 4.069 10 0 FIAERN Cc1ccsc1C(=O)N(Cc1ccc(OCC2(C)COC2)cc1)C1CC1 ZINC000012281234 210935455 /nfs/dbraw/zinc/93/54/55/210935455.db2.gz GVEQNRMIMLKJLQ-UHFFFAOYSA-N 0 0 371.502 4.277 10 0 FIAERN CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1C(N)=O ZINC000010149433 210865742 /nfs/dbraw/zinc/86/57/42/210865742.db2.gz JCQQBGVBWICSAE-LBPRGKRZSA-N 0 0 374.506 4.247 10 0 FIAERN Cc1cc2sc(N(Cc3ccccn3)C(=O)c3ccno3)nc2c(C)c1 ZINC000009704426 210848929 /nfs/dbraw/zinc/84/89/29/210848929.db2.gz TWXIJAIPNWLAML-UHFFFAOYSA-N 0 0 364.430 4.143 10 0 FIAERN Cc1ccccc1CSc1nc2c(cnn2-c2ccccc2C)c(=O)[nH]1 ZINC000009522250 210839498 /nfs/dbraw/zinc/83/94/98/210839498.db2.gz IUNYYQVTHCPEGS-UHFFFAOYSA-N 0 0 362.458 4.430 10 0 FIAERN COc1ccc(C[C@@H](C)Nc2ccccc2I)cc1 ZINC000035648264 210799898 /nfs/dbraw/zinc/79/98/98/210799898.db2.gz BDIOFQAWIGLDTK-GFCCVEGCSA-N 0 0 367.230 4.343 10 0 FIAERN CCOCc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC ZINC000008921264 210809731 /nfs/dbraw/zinc/80/97/31/210809731.db2.gz MBKBEEDHSPENKU-UHFFFAOYSA-N 0 0 369.446 4.003 10 0 FIAERN CCCSc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000008792850 210805431 /nfs/dbraw/zinc/80/54/31/210805431.db2.gz UBQYMQCEGFJURW-UHFFFAOYSA-N 0 0 358.286 4.055 10 0 FIAERN COc1cc(NC(=O)c2ccccc2C)c(OC)cc1Br ZINC000006218021 210663344 /nfs/dbraw/zinc/66/33/44/210663344.db2.gz JVXKIZIYVJCEKC-UHFFFAOYSA-N 0 0 350.212 4.027 10 0 FIAERN COc1cc(/C=C/C(=O)N2CCCCC2)ccc1OCc1ccccc1 ZINC000005743991 210637805 /nfs/dbraw/zinc/63/78/05/210637805.db2.gz RAYMDQBAADDMJR-ACCUITESSA-N 0 0 351.446 4.300 10 0 FIAERN Cn1c(SCc2ccccc2)nnc1-c1cc(Cl)nc(Cl)c1 ZINC000002570648 210406010 /nfs/dbraw/zinc/40/60/10/210406010.db2.gz ZUGIFMVOHDXHTG-UHFFFAOYSA-N 0 0 351.262 4.476 10 0 FIAERN COc1ccc(/C=C/C(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000001974080 210377327 /nfs/dbraw/zinc/37/73/27/210377327.db2.gz DHYHSCXQCUTKRS-DHZHZOJOSA-N 0 0 366.442 4.479 10 0 FIAERN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(C(F)(F)F)nn12 ZINC000001032034 210303772 /nfs/dbraw/zinc/30/37/72/210303772.db2.gz HAILZPWHSGQJIY-UHFFFAOYSA-N 0 0 360.748 4.024 10 0 FIAERN Cc1nc2c(s1)c(C)nn(-c1cc(C(F)(F)F)ccc1Cl)c2=O ZINC000001031483 210302769 /nfs/dbraw/zinc/30/27/69/210302769.db2.gz VUQMFALETSHWOJ-UHFFFAOYSA-N 0 0 359.760 4.131 10 0 FIAERN CC[C@@](C)(C(=O)Nc1c(C)cccc1C)N(C)C(=O)c1ccc(OC)cc1 ZINC000000792660 210271285 /nfs/dbraw/zinc/27/12/85/210271285.db2.gz CFZSYIGHTAXKNZ-QFIPXVFZSA-N 0 0 368.477 4.191 10 0 FIAERN Cc1sc2nc(CN3CCOCC3)nc(Oc3cccc(F)c3)c2c1C ZINC000038556858 220854759 /nfs/dbraw/zinc/85/47/59/220854759.db2.gz CIDGLDBHNMXIEN-UHFFFAOYSA-N 0 0 373.453 4.072 10 0 FIAERN NC(=S)c1ccc(NCc2cccc(Br)c2)c(Cl)c1 ZINC000062795387 221140672 /nfs/dbraw/zinc/14/06/72/221140672.db2.gz IVJMRKPYEPVCDR-UHFFFAOYSA-N 0 0 355.688 4.349 10 0 FIAERN CCN(CCNC(=O)c1cc2c(s1)CN(C(C)C)C2)c1cccc(C)c1 ZINC000065238784 221184648 /nfs/dbraw/zinc/18/46/48/221184648.db2.gz ZKJUTIRCODLZQK-UHFFFAOYSA-N 0 0 371.550 4.037 10 0 FIAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(-c2ccccc2)no1 ZINC000066512270 221244939 /nfs/dbraw/zinc/24/49/39/221244939.db2.gz FGYYQTWXWROYJX-HXUWFJFHSA-N 0 0 362.429 4.334 10 0 FIAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(C(F)(F)F)c2)C(=O)C1 ZINC000071790618 221375862 /nfs/dbraw/zinc/37/58/62/221375862.db2.gz SOQXTMKKRMCXBN-NSHDSACASA-N 0 0 361.335 4.138 10 0 FIAERN Fc1ccc2c(C3=CCN(Cc4cnn(-c5ccccc5)n4)CC3)c[nH]c2c1 ZINC000071812643 221378805 /nfs/dbraw/zinc/37/88/05/221378805.db2.gz SUSFEWYIWZQKRA-UHFFFAOYSA-N 0 0 373.435 4.177 10 0 FIAERN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCCc4ccccc43)c12 ZINC000105568350 132239176 /nfs/dbraw/zinc/23/91/76/132239176.db2.gz AYRXSXSHOWHLAA-UHFFFAOYSA-N 0 0 372.428 4.130 10 0 FIAERN O=C1CCN(c2cc(-c3ccccn3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073679077 132376733 /nfs/dbraw/zinc/37/67/33/132376733.db2.gz OFAADPCNGSZZDV-UHFFFAOYSA-N 0 0 364.836 4.028 10 0 FIAERN O=C(Cn1c2ccccc2nc1-c1ccco1)N1CCCc2ccccc21 ZINC000000933403 132379204 /nfs/dbraw/zinc/37/92/04/132379204.db2.gz PNFJOJDGKPLOSH-UHFFFAOYSA-N 0 0 357.413 4.276 10 0 FIAERN CC(C)C(=O)Nc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000037544536 136118418 /nfs/dbraw/zinc/11/84/18/136118418.db2.gz AEIDJPNVCBNZDW-UHFFFAOYSA-N 0 0 369.440 4.253 10 0 FIAERN Nc1ccc2c(c1)N(Cc1cc(Br)ccc1F)CCS2 ZINC000038051430 136118547 /nfs/dbraw/zinc/11/85/47/136118547.db2.gz YESDKJXGIJABNS-UHFFFAOYSA-N 0 0 353.260 4.283 10 0 FIAERN CC1CCN(c2ncnc(N(Cc3ccccc3)c3ccccn3)c2N)CC1 ZINC000040733086 136120448 /nfs/dbraw/zinc/12/04/48/136120448.db2.gz CZWFSPCINLGNBK-UHFFFAOYSA-N 0 0 374.492 4.028 10 0 FIAERN CC1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1 ZINC000040732843 136120450 /nfs/dbraw/zinc/12/04/50/136120450.db2.gz VEJYWPVCYJKLNU-UHFFFAOYSA-N 0 0 352.269 4.346 10 0 FIAERN C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)c(Cl)c1 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Cc1c(C(=O)N[C@H](C)c2cccc3ccccc32)nnn1-c1ccc(F)cc1 ZINC000105938336 222379861 /nfs/dbraw/zinc/37/98/61/222379861.db2.gz QJAYNDCJIRFFPP-CQSZACIVSA-N 0 0 374.419 4.359 10 0 FIAERN Cc1cnc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000085333217 526100751 /nfs/dbraw/zinc/10/07/51/526100751.db2.gz HPKNPEYLDSRGAT-GFCCVEGCSA-N 0 0 357.907 4.320 10 0 FIAERN N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2Cl)o1 ZINC000040173817 527338200 /nfs/dbraw/zinc/33/82/00/527338200.db2.gz KSKBIPNJGBLCBZ-HNNXBMFYSA-N 0 0 363.845 4.397 10 0 FIAERN CCc1c(C)nc2n(c1=O)CN(C1CCCCCC1)CN2c1ccccc1 ZINC000072441733 536071417 /nfs/dbraw/zinc/07/14/17/536071417.db2.gz SNRVPPRAWQRKKR-UHFFFAOYSA-N 0 0 366.509 4.206 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H]2C(=O)Nc3ccccc32)o1 ZINC000128547002 567948529 /nfs/dbraw/zinc/94/85/29/567948529.db2.gz LRBJUEBPJKBERX-SJLPKXTDSA-N 0 0 352.434 4.022 10 0 FIAERN Cc1ccc(NC(=O)N2CC[C@H](OCCC(C)C)C2)cc1-c1ncco1 ZINC000161740061 567963484 /nfs/dbraw/zinc/96/34/84/567963484.db2.gz 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Cc1ccc(-c2noc(CCC(=O)Nc3cnc4ccccc4c3)n2)cc1 ZINC000006785890 571246373 /nfs/dbraw/zinc/24/63/73/571246373.db2.gz NOAPASBYNDFGHB-UHFFFAOYSA-N 0 0 358.401 4.165 10 0 FIAERN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000008596707 571255505 /nfs/dbraw/zinc/25/55/05/571255505.db2.gz AXHKMFSJZJVSIV-UHFFFAOYSA-N 0 0 364.449 4.309 10 0 FIAERN CC(C)c1nc2ccc(NC(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2s1 ZINC000116493408 1079526440 /nfs/dbraw/zinc/52/64/40/1079526440.db2.gz ILAOSLPEYBHVOZ-ZDUSSCGKSA-N 0 0 369.494 4.175 10 0 FIAERN CC[C@]1(CO)CCCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000187610567 1080144086 /nfs/dbraw/zinc/14/40/86/1080144086.db2.gz BLURYBXEMUPULT-NQIIRXRSSA-N 0 0 372.509 4.017 10 0 FIAERN CC1(C)C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)c2ccccc2O1 ZINC000188205175 1080315860 /nfs/dbraw/zinc/31/58/60/1080315860.db2.gz ANCUUKIIARNPJE-DLBZAZTESA-N 0 0 370.424 4.251 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000151922524 1080383261 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FIAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000332789435 1084859771 /nfs/dbraw/zinc/85/97/71/1084859771.db2.gz SRUIPMDFYFGKNG-XMTFNYHQSA-N 0 0 361.530 4.092 10 0 FIAERN O=C(NC[C@H]1CCCSC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332845590 1084917246 /nfs/dbraw/zinc/91/72/46/1084917246.db2.gz QYDMUBVEXKSLDD-WBVHZDCISA-N 0 0 360.523 4.265 10 0 FIAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000332907925 1084988326 /nfs/dbraw/zinc/98/83/26/1084988326.db2.gz WTXNCBGRYZSKAM-GRARQNNCSA-N 0 0 356.510 4.350 10 0 FIAERN NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332925423 1085014774 /nfs/dbraw/zinc/01/47/74/1085014774.db2.gz ZNDBQMXFXBHDOD-INMHGKMJSA-N 0 0 356.466 4.281 10 0 FIAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3csc([C@@H]4CCCO4)n3)C2)cc1 ZINC000152676122 1085101342 /nfs/dbraw/zinc/10/13/42/1085101342.db2.gz JFYWGOYOMLLZRR-JOQOYGCGSA-N 0 0 372.490 4.021 10 0 FIAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3csc([C@@H]4CCCO4)n3)C2)cc1 ZINC000152675985 1085101401 /nfs/dbraw/zinc/10/14/01/1085101401.db2.gz JFYWGOYOMLLZRR-SIIHOXLZSA-N 0 0 372.490 4.021 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccc(F)c(Cl)c1 ZINC000408128339 1085207078 /nfs/dbraw/zinc/20/70/78/1085207078.db2.gz IVXQOCWCSYSPDZ-WPPQDWHVSA-N 0 0 368.880 4.265 10 0 FIAERN C[C@@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@H]2CCCC[C@H]12 ZINC000408176499 1085587055 /nfs/dbraw/zinc/58/70/55/1085587055.db2.gz GLIFFKVOBAUYEU-MRRJBJDNSA-N 0 0 363.889 4.084 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(COC(C)C)cc3)CCO2)o1 ZINC000153710944 1086072811 /nfs/dbraw/zinc/07/28/11/1086072811.db2.gz LTKXULKLYOCUQY-LJQANCHMSA-N 0 0 358.438 4.118 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CCO2)o1 ZINC000154395198 1086364001 /nfs/dbraw/zinc/36/40/01/1086364001.db2.gz SQELDSNYGGLSKR-GOSISDBHSA-N 0 0 367.405 4.212 10 0 FIAERN C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)c1ccc2c(c1)OCCCO2 ZINC000157027123 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/nfs/dbraw/zinc/27/78/45/211277845.db2.gz CFIODESEQJZKCP-OAHLLOKOSA-N 0 0 372.490 4.316 10 0 FIAERN CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO ZINC000015261775 211125464 /nfs/dbraw/zinc/12/54/64/211125464.db2.gz GGJRAQULURVTAJ-ZPCTVNKMSA-N 0 0 352.515 4.472 10 0 FIAERN CC(C)Oc1ccc(CCNc2nncc(-c3ccc(F)cc3)n2)cc1 ZINC000015073095 211120421 /nfs/dbraw/zinc/12/04/21/211120421.db2.gz SKIRJXIESHENEV-UHFFFAOYSA-N 0 0 352.413 4.120 10 0 FIAERN COc1cc(/C=C2\SC(=N)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000015053314 211114743 /nfs/dbraw/zinc/11/47/43/211114743.db2.gz JINLNTDTPXCQQZ-ZMMCEODWSA-N 0 0 360.822 4.110 10 0 FIAERN O=C(c1cc(Cc2ccccc2)no1)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000015001013 211113987 /nfs/dbraw/zinc/11/39/87/211113987.db2.gz LAPGPRLDAGIFMS-LJQANCHMSA-N 0 0 374.440 4.001 10 0 FIAERN NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CC3(CC3)C2)cc1 ZINC000013745528 211056889 /nfs/dbraw/zinc/05/68/89/211056889.db2.gz MNGXGRGZKCYDFM-UHFFFAOYSA-N 0 0 359.878 4.472 10 0 FIAERN CCC(=O)Oc1c(C)s/c(=N\c2cccc(Cl)c2)n1C(=O)CC ZINC000011638125 210888763 /nfs/dbraw/zinc/88/87/63/210888763.db2.gz RKJLQOKLQBKRDS-VLGSPTGOSA-N 0 0 352.843 4.109 10 0 FIAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2Cl)n1C(=O)CC ZINC000011638152 210888803 /nfs/dbraw/zinc/88/88/03/210888803.db2.gz UCXVEXIORCHCAR-ZPHPHTNESA-N 0 0 366.870 4.363 10 0 FIAERN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)N(CC)c2ccccc2)c1 ZINC000010122768 210863694 /nfs/dbraw/zinc/86/36/94/210863694.db2.gz ZBHURIXNIKVWSL-OAHLLOKOSA-N 0 0 356.491 4.405 10 0 FIAERN COc1ccc(-c2noc(N(C)c3ccc(Br)cc3)n2)cc1 ZINC000006803220 210704142 /nfs/dbraw/zinc/70/41/42/210704142.db2.gz GYHQMSOFOXNGMJ-UHFFFAOYSA-N 0 0 360.211 4.276 10 0 FIAERN Cc1cccc2c(C)cc(SCCN3C(=O)c4ccccc4C3=O)nc12 ZINC000004801513 210565306 /nfs/dbraw/zinc/56/53/06/210565306.db2.gz MBATYOPGSUMBAA-UHFFFAOYSA-N 0 0 362.454 4.240 10 0 FIAERN COC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccccc1 ZINC000001979041 210377361 /nfs/dbraw/zinc/37/73/61/210377361.db2.gz BEIGYKFRGRIWKA-UHFFFAOYSA-N 0 0 352.415 4.157 10 0 FIAERN CCOc1ccc(-c2c(C)sc(NC(=O)C3CC3)c2C(=O)OC)cc1 ZINC000001907893 210375210 /nfs/dbraw/zinc/37/52/10/210375210.db2.gz AVZMXZDGQPVHQF-UHFFFAOYSA-N 0 0 359.447 4.257 10 0 FIAERN CCCOc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001927386 210374543 /nfs/dbraw/zinc/37/45/43/210374543.db2.gz IYXQUHOOWGQYRP-SDNWHVSQSA-N 0 0 353.418 4.304 10 0 FIAERN CCOC(=O)N1N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000001647591 210363531 /nfs/dbraw/zinc/36/35/31/210363531.db2.gz YNPFVKILUXYFTF-UHFFFAOYSA-N 0 0 372.424 4.351 10 0 FIAERN Brc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 ZINC000001598448 210362567 /nfs/dbraw/zinc/36/25/67/210362567.db2.gz JVMANPYCAJCWPR-UHFFFAOYSA-N 0 0 371.234 4.397 10 0 FIAERN Ic1ccccc1NCc1cccc2cnccc21 ZINC000061125067 221133503 /nfs/dbraw/zinc/13/35/03/221133503.db2.gz NCHZRQRQEIUAFF-UHFFFAOYSA-N 0 0 360.198 4.452 10 0 FIAERN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)OCc3ccco3)cc12 ZINC000064666330 221150450 /nfs/dbraw/zinc/15/04/50/221150450.db2.gz SNUHRSUFIARWSI-UHFFFAOYSA-N 0 0 356.378 4.485 10 0 FIAERN CC(C)Oc1ccc(CNC(=O)c2cc3c(s2)CN(C(C)C)C3)cc1 ZINC000065238776 221184623 /nfs/dbraw/zinc/18/46/23/221184623.db2.gz XRSWZAGQGHYCNO-UHFFFAOYSA-N 0 0 358.507 4.189 10 0 FIAERN COc1ccc2cc(NC(=O)c3ccccc3Br)cnc2c1 ZINC000065008843 221163751 /nfs/dbraw/zinc/16/37/51/221163751.db2.gz LARWMVMGYAEOGN-UHFFFAOYSA-N 0 0 357.207 4.258 10 0 FIAERN C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C[C@H](C)O1 ZINC000068175957 221314723 /nfs/dbraw/zinc/31/47/23/221314723.db2.gz XVHGAMPUZLYBIO-UWVGGRQHSA-N 0 0 371.289 4.366 10 0 FIAERN CCn1ncc(CN(C)Cc2nc(-c3cccc(F)c3F)oc2C)c1C ZINC000071745418 221358048 /nfs/dbraw/zinc/35/80/48/221358048.db2.gz QPNHYMVEHAQCQS-UHFFFAOYSA-N 0 0 360.408 4.085 10 0 FIAERN C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000071861963 221383814 /nfs/dbraw/zinc/38/38/14/221383814.db2.gz MWPIGUOCVLKZMF-HNNXBMFYSA-N 0 0 373.518 4.020 10 0 FIAERN COc1cccc(-c2nccn2[C@@H](c2cccnc2)C(F)(F)F)c1OC ZINC000071764590 221371729 /nfs/dbraw/zinc/37/17/29/221371729.db2.gz FCEWAQDFZYOCIM-INIZCTEOSA-N 0 0 363.339 4.114 10 0 FIAERN C[C@@H](c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CC3)cc2)C1=O ZINC000034734095 132934630 /nfs/dbraw/zinc/93/46/30/132934630.db2.gz GLKQPZAJIZLWQJ-INIZCTEOSA-N 0 0 363.461 4.428 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOCc2ccnc(Cl)n2)C1 ZINC000095085104 221846095 /nfs/dbraw/zinc/84/60/95/221846095.db2.gz KQONZCAEIPMGHP-CQSZACIVSA-N 0 0 369.893 4.074 10 0 FIAERN O=C(CCc1ccc(OC(F)F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000097130866 222163030 /nfs/dbraw/zinc/16/30/30/222163030.db2.gz NUOAYOPLIGYXKR-CHWSQXEVSA-N 0 0 365.342 4.458 10 0 FIAERN C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NC[C@H]1CCCO1 ZINC000103573512 222339852 /nfs/dbraw/zinc/33/98/52/222339852.db2.gz VKNUTBPNHZDURB-CFRMROPGSA-N 0 0 350.875 4.065 10 0 FIAERN CO[C@](C)(CNC(=O)/C=C\c1ccc(SC)cc1)c1ccccc1F ZINC000101322386 222270088 /nfs/dbraw/zinc/27/00/88/222270088.db2.gz GZJVWAGIALRBMB-KTZABMDBSA-N 0 0 359.466 4.239 10 0 FIAERN COc1ccc(C[C@@H](C)[C@@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC ZINC000102189844 222291491 /nfs/dbraw/zinc/29/14/91/222291491.db2.gz ITXTZJSELNILSN-CABCVRRESA-N 0 0 374.477 4.484 10 0 biogenic FIAERN CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@H]1OC(=O)[C@@H]1CC ZINC000104892861 222362484 /nfs/dbraw/zinc/36/24/84/222362484.db2.gz UNBMQQNYLCPCHS-IFVNFLLDSA-N 0 0 352.515 4.159 10 0 FIAERN Cc1ccc2oc(-c3cccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)c3)nc2c1 ZINC000105398709 222368243 /nfs/dbraw/zinc/36/82/43/222368243.db2.gz IYXBDYVKPMYCHH-CALCHBBNSA-N 0 0 360.413 4.483 10 0 FIAERN O=C(Nc1ccc(F)cc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000105849262 222378545 /nfs/dbraw/zinc/37/85/45/222378545.db2.gz AATAHGPZTHLWIZ-JTQLQIEISA-N 0 0 367.207 4.124 10 0 FIAERN COc1cc(C)c(NC(=O)c2c(C)oc(C)c2Br)cc1OC ZINC000105970739 222379044 /nfs/dbraw/zinc/37/90/44/222379044.db2.gz AHAUDPHIZUFYHY-UHFFFAOYSA-N 0 0 368.227 4.237 10 0 FIAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000106060214 222381898 /nfs/dbraw/zinc/38/18/98/222381898.db2.gz YBRQDISZKCEUNS-GXTWGEPZSA-N 0 0 371.308 4.006 10 0 FIAERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H]1CCC(C)(C)c2ccccc21)C(C)C ZINC000109397949 222459071 /nfs/dbraw/zinc/45/90/71/222459071.db2.gz MQEMLUHJDLVCJQ-AZUAARDMSA-N 0 0 358.526 4.102 10 0 FIAERN COc1cc(F)c(C(=O)Nc2ccccc2OCc2ccco2)c(F)c1 ZINC000019838752 522564399 /nfs/dbraw/zinc/56/43/99/522564399.db2.gz AAVDKEZMOIMDCJ-UHFFFAOYSA-N 0 0 359.328 4.398 10 0 FIAERN CC(=O)c1cccc(Nc2ncnc(N3CCCc4ccccc43)c2N)c1 ZINC000040705320 534892648 /nfs/dbraw/zinc/89/26/48/534892648.db2.gz VZSBNOINMHQCTI-UHFFFAOYSA-N 0 0 359.433 4.089 10 0 FIAERN Cc1ccc([C@H]2N(c3ccc(Br)cc3)C(=O)C2(F)F)cc1 ZINC000040539805 526043158 /nfs/dbraw/zinc/04/31/58/526043158.db2.gz DVRGFFYDNFPMGH-CQSZACIVSA-N 0 0 352.178 4.481 10 0 FIAERN Cc1cnc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1Cl ZINC000085333214 526101925 /nfs/dbraw/zinc/10/19/25/526101925.db2.gz HPKNPEYLDSRGAT-LBPRGKRZSA-N 0 0 357.907 4.320 10 0 FIAERN CCc1c(C)nc2n(c1=O)CN(C1CCCC1)CN2c1ccc(C)cc1C ZINC000072443105 536071351 /nfs/dbraw/zinc/07/13/51/536071351.db2.gz ZCYBEXFVESQRFE-UHFFFAOYSA-N 0 0 366.509 4.042 10 0 FIAERN COc1ccc(C(C)(C)CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000186640219 567964186 /nfs/dbraw/zinc/96/41/86/567964186.db2.gz NGGBTPJUNUOVIR-SFHVURJKSA-N 0 0 373.522 4.284 10 0 FIAERN Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188605913 567986794 /nfs/dbraw/zinc/98/67/94/567986794.db2.gz WTHUOAKGRLHIDI-HXUWFJFHSA-N 0 0 362.452 4.444 10 0 FIAERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1Br ZINC000021008639 568070613 /nfs/dbraw/zinc/07/06/13/568070613.db2.gz KCMMPCIPCFADTH-NSHDSACASA-N 0 0 354.269 4.026 10 0 FIAERN CC(=O)Oc1ccc2c(c1)CC[C@H]1C2=CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 ZINC000215690959 568084049 /nfs/dbraw/zinc/08/40/49/568084049.db2.gz UESVTJRTUBOKMJ-CMOCDZPBSA-N 0 0 354.446 4.309 10 0 FIAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330294897 568140104 /nfs/dbraw/zinc/14/01/04/568140104.db2.gz FJYKBQNJNHJFFI-HOCLYGCPSA-N 0 0 364.474 4.010 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2OC(C)C)C1 ZINC000150836583 568205661 /nfs/dbraw/zinc/20/56/61/568205661.db2.gz RSKFJDWNIRSAIT-MRXNPFEDSA-N 0 0 374.460 4.241 10 0 FIAERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000390776136 568213509 /nfs/dbraw/zinc/21/35/09/568213509.db2.gz OPNNGNWCUKCDGD-LBPRGKRZSA-N 0 0 355.331 4.180 10 0 FIAERN O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@H]2CCC[C@@H]21 ZINC000330330768 568245783 /nfs/dbraw/zinc/24/57/83/568245783.db2.gz XDZOBBMAMIRCDZ-KDOFPFPSSA-N 0 0 364.474 4.010 10 0 FIAERN Cc1cccc(C)c1Oc1ncccc1CNC(=O)CCc1ccccn1 ZINC000011668125 570521583 /nfs/dbraw/zinc/52/15/83/570521583.db2.gz QPFURUCVPXWWGE-UHFFFAOYSA-N 0 0 361.445 4.135 10 0 FIAERN Cc1ccccc1CN(C)CC(=O)N1CCS[C@H]1c1ccccc1Cl ZINC000004880408 570553805 /nfs/dbraw/zinc/55/38/05/570553805.db2.gz NHUWPBHODGWISU-FQEVSTJZSA-N 0 0 374.937 4.354 10 0 FIAERN CCCN(CCC)C(=O)c1cn2c(n1)CC[C@@H](c1cc(F)ccc1OC)C2 ZINC000034899042 570562054 /nfs/dbraw/zinc/56/20/54/570562054.db2.gz DTNGZIVUFJEZRV-OAHLLOKOSA-N 0 0 373.472 4.023 10 0 FIAERN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000005080310 570629424 /nfs/dbraw/zinc/62/94/24/570629424.db2.gz AIBWHDYZKNWYQQ-RSFSFSNISA-N 0 0 354.490 4.453 10 0 FIAERN COc1ccccc1NC(=S)N(Cc1ccco1)Cc1ccncc1 ZINC000006298608 570644919 /nfs/dbraw/zinc/64/49/19/570644919.db2.gz ZLUBZWNGSRTTST-UHFFFAOYSA-N 0 0 353.447 4.082 10 0 FIAERN Cc1nc(C)c(CN[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc1C ZINC000012583523 570751905 /nfs/dbraw/zinc/75/19/05/570751905.db2.gz LNRSXUSGKZHTLG-KRWDZBQOSA-N 0 0 367.541 4.293 10 0 FIAERN C[Si](C)(c1ccc2c(ccn2Cc2ccccc2)c1)c1ccccc1CO ZINC000169975385 570802507 /nfs/dbraw/zinc/80/25/07/570802507.db2.gz FPLIKQNARGEPQE-UHFFFAOYSA-N 0 0 371.556 4.005 10 0 FIAERN CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000005726425 570935539 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571255574 /nfs/dbraw/zinc/25/55/74/571255574.db2.gz SCMYUOFBVRNPBA-UHFFFAOYSA-N 0 0 353.441 4.138 10 0 FIAERN O=C1NC(=O)[C@H](Cc2ccc(OCc3ccccc3)c3ccsc32)S1 ZINC000498049333 571272457 /nfs/dbraw/zinc/27/24/57/571272457.db2.gz NUZJKSMUMCMIJF-INIZCTEOSA-N 0 0 369.467 4.374 10 0 FIAERN COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(Cl)c1O ZINC000048534588 571308818 /nfs/dbraw/zinc/30/88/18/571308818.db2.gz YGZSHXZBNVDTDZ-MRXNPFEDSA-N 0 0 372.852 4.182 10 0 FIAERN COc1ccc(CN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)cn1 ZINC000328603347 571323794 /nfs/dbraw/zinc/32/37/94/571323794.db2.gz FTJOEIUGLZCTKM-QGZVFWFLSA-N 0 0 368.412 4.007 10 0 FIAERN CCc1ccc([C@H]2C[C@H](c3cccc(OC)c3OC)n3ncnc3N2)cc1 ZINC000002915901 571341654 /nfs/dbraw/zinc/34/16/54/571341654.db2.gz DNWCDVHQZYDPHU-QZTJIDSGSA-N 0 0 364.449 4.004 10 0 FIAERN CN(C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CCC(CO)CC1 ZINC000129867996 1125547030 /nfs/dbraw/zinc/54/70/30/1125547030.db2.gz TZGBMDANPGZUGT-TVPLGVNVSA-N 0 0 372.509 4.016 10 0 FIAERN 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CC(C)CNC(=O)C1(c2ccc(NC(=O)c3cccs3)cc2)CCC1 ZINC000013350859 211030621 /nfs/dbraw/zinc/03/06/21/211030621.db2.gz LXSLWZSEVINHSJ-UHFFFAOYSA-N 0 0 356.491 4.194 10 0 FIAERN O=C1c2ccccc2C(=O)N1CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000013467971 211033553 /nfs/dbraw/zinc/03/35/53/211033553.db2.gz XKXZDQMIAUIRNA-NFAYLAGKSA-N 0 0 374.278 4.017 10 0 FIAERN CCOc1cccc(NC(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000009817396 210853381 /nfs/dbraw/zinc/85/33/81/210853381.db2.gz MLQCPSPGYOGIEK-UHFFFAOYSA-N 0 0 364.239 4.499 10 0 FIAERN COc1cccc(-c2cc(-c3ccc(C)cc3)nc3ncnc(N)c32)c1OC ZINC000009694605 210847643 /nfs/dbraw/zinc/84/76/43/210847643.db2.gz YAFGLWRWXJOPAS-UHFFFAOYSA-N 0 0 372.428 4.267 10 0 FIAERN CC(C)n1c(=O)c2oc3ccccc3c2n(Cc2cccc(Cl)c2)c1=O ZINC000006858465 210709868 /nfs/dbraw/zinc/70/98/68/210709868.db2.gz VEZASCIEADRFAW-UHFFFAOYSA-N 0 0 368.820 4.192 10 0 FIAERN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NCc1ccco1 ZINC000004967235 210585467 /nfs/dbraw/zinc/58/54/67/210585467.db2.gz NHUYNDHYSYHWOO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/53/12/06/1084531206.db2.gz YVWJTMVFFIZGQF-MAUKXSAKSA-N 0 0 372.538 4.119 10 0 FIAERN Cc1cnn(CC2CCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CC2)c1 ZINC000332711307 1084789623 /nfs/dbraw/zinc/78/96/23/1084789623.db2.gz MEECUJZZOAIMAP-UWJYYQICSA-N 0 0 366.509 4.252 10 0 FIAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)C2 ZINC000332818116 1084892026 /nfs/dbraw/zinc/89/20/26/1084892026.db2.gz RLEFQGFZLBXCOG-MSOLQXFVSA-N 0 0 366.509 4.042 10 0 FIAERN Cc1csc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1 ZINC000329080303 1085157510 /nfs/dbraw/zinc/15/75/10/1085157510.db2.gz CMXDWCCQFLTMSQ-KRWDZBQOSA-N 0 0 352.463 4.209 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccc(F)c(Cl)c1 ZINC000408128337 1085207590 /nfs/dbraw/zinc/20/75/90/1085207590.db2.gz IVXQOCWCSYSPDZ-KYABYICQSA-N 0 0 368.880 4.265 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1c(F)cccc1Cl ZINC000408179302 1085607872 /nfs/dbraw/zinc/60/78/72/1085607872.db2.gz CQAKCBAXPNDXDZ-NSNWQYSKSA-N 0 0 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/nfs/dbraw/zinc/48/41/72/1086484172.db2.gz LDUDIVDTMFSEJN-UHFFFAOYSA-N 0 0 356.520 4.350 10 0 FIAERN C[C@@H](O)C[C@H](CNC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000155446292 1086519242 /nfs/dbraw/zinc/51/92/42/1086519242.db2.gz UZAZYRAQMUUZMN-VQIMIIECSA-N 0 0 370.518 4.102 10 0 FIAERN C[C@@H](c1ccco1)N(C(=O)NC1CCN(c2cccs2)CC1)C1CC1 ZINC000155563300 1086536299 /nfs/dbraw/zinc/53/62/99/1086536299.db2.gz FVDNCDWUOQSLSA-AWEZNQCLSA-N 0 0 359.495 4.245 10 0 FIAERN C[C@@H](C(=O)NC1CCN(c2cccs2)CC1)c1cc2ccccc2o1 ZINC000155944491 1086611246 /nfs/dbraw/zinc/61/12/46/1086611246.db2.gz JSWWKUHCWNENMQ-CQSZACIVSA-N 0 0 354.475 4.383 10 0 FIAERN C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156716251 1086750703 /nfs/dbraw/zinc/75/07/03/1086750703.db2.gz BSLDZUBFZICZHY-DZGCQCFKSA-N 0 0 369.502 4.013 10 0 FIAERN CC(=O)Nc1ccc([S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000157007962 1086822907 /nfs/dbraw/zinc/82/29/07/1086822907.db2.gz QZXUYEDFTRIZGN-CANCMXDXSA-N 0 0 354.431 4.169 10 0 FIAERN Cc1nc([C@H]2CCCN2C(=O)c2ccc(OC3CCCCC3)cc2)no1 ZINC000329381758 1086938716 /nfs/dbraw/zinc/93/87/16/1086938716.db2.gz NWKMHYKFWCURNE-GOSISDBHSA-N 0 0 355.438 4.067 10 0 FIAERN Cc1ccc([C@@H]2CN([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)CCO2)o1 ZINC000158721449 1087137074 /nfs/dbraw/zinc/13/70/74/1087137074.db2.gz JFVIGJDPQLDVRG-LPHOPBHVSA-N 0 0 367.449 4.389 10 0 FIAERN Cc1nc([C@@H]2CCCN(C(=O)c3ccc(-c4cnco4)cc3)C2)sc1C ZINC000329676455 1087174842 /nfs/dbraw/zinc/17/48/42/1087174842.db2.gz UVFSBVLVURSGIU-QGZVFWFLSA-N 0 0 367.474 4.435 10 0 FIAERN Cc1[nH]nc(C(C)C)c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000158919336 1087175140 /nfs/dbraw/zinc/17/51/40/1087175140.db2.gz LPKOUTJAXFXWRM-UHFFFAOYSA-N 0 0 352.438 4.003 10 0 FIAERN Clc1cccc(C2(c3nc([C@@H]4CN5CCC[C@@H]5CO4)no3)CCCC2)c1 ZINC000329703824 1087204621 /nfs/dbraw/zinc/20/46/21/1087204621.db2.gz IMGOWRGHNIQBDB-SJORKVTESA-N 0 0 373.884 4.119 10 0 FIAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000083554949 1087340223 /nfs/dbraw/zinc/34/02/23/1087340223.db2.gz GCGITCGZCRVTSY-GJYPPUQNSA-N 0 0 355.482 4.108 10 0 FIAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000246855705 1087418533 /nfs/dbraw/zinc/41/85/33/1087418533.db2.gz BQUKOMADERZCCR-YEWDVWPNSA-N 0 0 371.308 4.391 10 0 FIAERN O=C(c1cccc2nc(-c3cccs3)[nH]c21)N1CCO[C@H]2CCCC[C@H]21 ZINC000329830207 1087480673 /nfs/dbraw/zinc/48/06/73/1087480673.db2.gz JRFUZQZQVMZAGY-CVEARBPZSA-N 0 0 367.474 4.075 10 0 FIAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000407970986 1088553760 /nfs/dbraw/zinc/55/37/60/1088553760.db2.gz FJMQMBYFKBDOHQ-SJLPKXTDSA-N 0 0 352.482 4.012 10 0 FIAERN Cc1cc([C@@H]2CCCN(C(=O)c3ccsc3-n3c(C)ccc3C)C2)[nH]n1 ZINC000407979459 1088594350 /nfs/dbraw/zinc/59/43/50/1088594350.db2.gz ABRYQDWWRMJQPG-MRXNPFEDSA-N 0 0 368.506 4.207 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1oc2c(cccc2C)c1C ZINC000109672885 1088681125 /nfs/dbraw/zinc/68/11/25/1088681125.db2.gz PWHWYNIMOZYISC-KRWDZBQOSA-N 0 0 351.450 4.377 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ZINC000408066016 1090298570 /nfs/dbraw/zinc/29/85/70/1090298570.db2.gz SRZWHGDKYHBOOW-MDKPJZGXSA-N 0 0 372.896 4.434 10 0 FIAERN O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCC12CCC(CO)CC2 ZINC000378454758 1090371042 /nfs/dbraw/zinc/37/10/42/1090371042.db2.gz ZVFTWSVMTBQJKB-IIYOLHEUSA-N 0 0 368.304 4.251 10 0 FIAERN O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H]1c1nccs1 ZINC000364247959 1091053115 /nfs/dbraw/zinc/05/31/15/1091053115.db2.gz GSIRUWZBWPNCSW-GFCCVEGCSA-N 0 0 355.232 4.022 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000106209656 1091696106 /nfs/dbraw/zinc/69/61/06/1091696106.db2.gz BPCWKNUPZOUFKD-KBPBESRZSA-N 0 0 357.483 4.047 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000162731272 1091801944 /nfs/dbraw/zinc/80/19/44/1091801944.db2.gz GYCWSBMDWWOUCA-UHFFFAOYSA-N 0 0 367.280 4.214 10 0 FIAERN Cc1cccc2c(CCC(=O)N3CCC[C@@H](c4nccs4)C3)c[nH]c21 ZINC000163554847 1091878108 /nfs/dbraw/zinc/87/81/08/1091878108.db2.gz VWIOBAAUSYMJHO-MRXNPFEDSA-N 0 0 353.491 4.272 10 0 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1092921299 /nfs/dbraw/zinc/92/12/99/1092921299.db2.gz CJVDNZNSADHIGC-VQTJNVASSA-N 0 0 366.509 4.048 10 0 FIAERN O=C(NCCc1cccc2[nH]ccc21)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000332701017 1092921556 /nfs/dbraw/zinc/92/15/56/1092921556.db2.gz BWTUJCFPQXGPCS-KBPBESRZSA-N 0 0 353.388 4.131 10 0 FIAERN Cc1cnc([C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)o1 ZINC000332981710 1093227820 /nfs/dbraw/zinc/22/78/20/1093227820.db2.gz ONMISGIBMHJUTR-AITUJVMLSA-N 0 0 353.466 4.412 10 0 FIAERN CCc1cc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c2ccccc2n1 ZINC000333042124 1093449306 /nfs/dbraw/zinc/44/93/06/1093449306.db2.gz JRIHCSCBIYQYLG-IBGZPJMESA-N 0 0 366.490 4.353 10 0 FIAERN Cn1ccnc1[C@H]1N(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1(C)C ZINC000333061084 1093503966 /nfs/dbraw/zinc/50/39/66/1093503966.db2.gz DEYFDNOLXAZWJQ-CYBMUJFWSA-N 0 0 371.243 4.481 10 0 FIAERN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc3c(n2)CCCC3=O)C1 ZINC000333197177 1093718693 /nfs/dbraw/zinc/71/86/93/1093718693.db2.gz PWWXCBCCKHLMPY-SCLBCKFNSA-N 0 0 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Cc1cccnc1NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172133062 1101311906 /nfs/dbraw/zinc/31/19/06/1101311906.db2.gz VMQQEASRFGZARA-QGZVFWFLSA-N 0 0 361.449 4.192 10 0 FIAERN COC(=O)CCc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000172248146 1101317417 /nfs/dbraw/zinc/31/74/17/1101317417.db2.gz YIWORYLIQPNZNN-UHFFFAOYSA-N 0 0 370.474 4.175 10 0 FIAERN O=C(c1ccc2ncsc2c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174092241 1101382415 /nfs/dbraw/zinc/38/24/15/1101382415.db2.gz ZULYMXOZIGTXDJ-UHFFFAOYSA-N 0 0 355.438 4.152 10 0 FIAERN Cc1nnc(-c2cccc(NC(=O)/C=C/c3cccc4cccnc34)c2)o1 ZINC000174365411 1101390293 /nfs/dbraw/zinc/39/02/93/1101390293.db2.gz SNSFMGQGFVLTAB-ZHACJKMWSA-N 0 0 356.385 4.245 10 0 FIAERN CCC[C@H]1[C@H](C)CCCN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000081176350 1101414283 /nfs/dbraw/zinc/41/42/83/1101414283.db2.gz VJSJVSZKEVDBIP-WBVHZDCISA-N 0 0 362.539 4.028 10 0 FIAERN CCCCC[C@@H](C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)C(C)C ZINC000176253323 1101448879 /nfs/dbraw/zinc/44/88/79/1101448879.db2.gz 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/nfs/dbraw/zinc/77/74/75/1101777475.db2.gz TWBUADNXOQFRQL-GOSISDBHSA-N 0 0 366.465 4.149 10 0 FIAERN Cn1cc([C@@H]2CCCN2C(=O)NCC2(c3cccs3)CCCCC2)cn1 ZINC000154452234 1101779061 /nfs/dbraw/zinc/77/90/61/1101779061.db2.gz ISBAZTSTJGRIPM-KRWDZBQOSA-N 0 0 372.538 4.230 10 0 FIAERN Cc1cc(Cl)c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000154066357 1101782083 /nfs/dbraw/zinc/78/20/83/1101782083.db2.gz AVASCNPEZGKARZ-SJCJKPOMSA-N 0 0 357.281 4.461 10 0 FIAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000186820974 1101783177 /nfs/dbraw/zinc/78/31/77/1101783177.db2.gz ORGMDXRICXZXCF-OAHLLOKOSA-N 0 0 374.462 4.221 10 0 FIAERN O=C(Nc1cccc2ccccc21)N1CCC(Nc2nccs2)CC1 ZINC000186950444 1101786861 /nfs/dbraw/zinc/78/68/61/1101786861.db2.gz SSPJDVQZBORBOK-UHFFFAOYSA-N 0 0 352.463 4.405 10 0 FIAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000186852945 1101787718 /nfs/dbraw/zinc/78/77/18/1101787718.db2.gz CTMWPCBDCIVSBS-HNNXBMFYSA-N 0 0 374.462 4.221 10 0 FIAERN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186892495 1101788142 /nfs/dbraw/zinc/78/81/42/1101788142.db2.gz FXSHFEWCIMYHFX-ABAIWWIYSA-N 0 0 363.458 4.207 10 0 FIAERN COc1cnccc1[C@@H](C)N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000187015510 1101788754 /nfs/dbraw/zinc/78/87/54/1101788754.db2.gz JMLIWSZETKFAHZ-HUUCEWRRSA-N 0 0 352.438 4.169 10 0 FIAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2cccc(F)c2F)cs1 ZINC000187335727 1101802347 /nfs/dbraw/zinc/80/23/47/1101802347.db2.gz ONNJHDYBEKFNEJ-BMIGLBTASA-N 0 0 351.422 4.337 10 0 FIAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Nc2nccs2)CC1 ZINC000188315275 1101824575 /nfs/dbraw/zinc/82/45/75/1101824575.db2.gz LWHNMQDQCKFRLL-UHFFFAOYSA-N 0 0 370.400 4.270 10 0 FIAERN CC(C)(C)Oc1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188953215 1101852189 /nfs/dbraw/zinc/85/21/89/1101852189.db2.gz LPJCSDQCBXHKHZ-UHFFFAOYSA-N 0 0 374.510 4.429 10 0 FIAERN COCCc1ccccc1NC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000189597455 1101883023 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364.852 4.029 10 0 FIAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000157877012 1114959665 /nfs/dbraw/zinc/95/96/65/1114959665.db2.gz PTJYVMJDRJPTGZ-QGZVFWFLSA-N 0 0 368.525 4.066 10 0 FIAERN O=C(Nc1ccnc(Oc2ccccc2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000129739108 1119205171 /nfs/dbraw/zinc/20/51/71/1119205171.db2.gz QJOWQOVMDINOPP-IERDGZPVSA-N 0 0 367.449 4.033 10 0 FIAERN O=C(Nc1cccc(N2CCCCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000131201531 1119307803 /nfs/dbraw/zinc/30/78/03/1119307803.db2.gz VAHHABIREDKPFD-PGRDOPGGSA-N 0 0 371.525 4.226 10 0 FIAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2ccccc2c1 ZINC000155268756 1121250799 /nfs/dbraw/zinc/25/07/99/1121250799.db2.gz YYCJOJZVFHPZFK-INIZCTEOSA-N 0 0 362.477 4.224 10 0 FIAERN CCCCc1cc(NC(=O)c2ccccc2C(F)(F)F)n2nccc2n1 ZINC000001543601 210227621 /nfs/dbraw/zinc/22/76/21/210227621.db2.gz UIWRXWVBYPEKOZ-UHFFFAOYSA-N 0 0 362.355 4.343 10 0 FIAERN CCN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O ZINC000000598912 210224327 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CC(C)(C)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000008288961 210097048 /nfs/dbraw/zinc/09/70/48/210097048.db2.gz NESNWKMHVPMMKU-QGZVFWFLSA-N 0 0 354.475 4.426 10 0 FIAERN Cc1ccc(S(=O)(=O)N(C(=O)c2cccs2)c2ccccc2)cc1 ZINC000040966668 210043595 /nfs/dbraw/zinc/04/35/95/210043595.db2.gz JSXNNUOGBANNHT-UHFFFAOYSA-N 0 0 357.456 4.092 10 0 FIAERN CCn1ncc(CN(C)C(=O)c2cccc(-c3cccc(OC)c3)c2)c1C ZINC000299758630 210010762 /nfs/dbraw/zinc/01/07/62/210010762.db2.gz LKNPKSNAOVXJFU-UHFFFAOYSA-N 0 0 363.461 4.159 10 0 FIAERN CCc1cccc(C)c1NC(=O)CN1c2ccc(C)cc2C(C)(C)C1=O ZINC000064846254 212046666 /nfs/dbraw/zinc/04/66/66/212046666.db2.gz VAWQWWHSBKPBEY-UHFFFAOYSA-N 0 0 350.462 4.129 10 0 FIAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(OCC)cc1 ZINC000054618153 211930103 /nfs/dbraw/zinc/93/01/03/211930103.db2.gz QWWNRGGTKICTAN-UHFFFAOYSA-N 0 0 371.433 4.118 10 0 FIAERN O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1)c1cccs1 ZINC000046141245 211835424 /nfs/dbraw/zinc/83/54/24/211835424.db2.gz 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/nfs/dbraw/zinc/68/22/32/211682232.db2.gz XCZIVSQIQAWWLH-UHFFFAOYSA-N 0 0 357.045 4.373 10 0 FIAERN COc1ccc(I)cc1C(=O)c1cc(C)cc(C)c1 ZINC000036944526 211676064 /nfs/dbraw/zinc/67/60/64/211676064.db2.gz OYASCERNTHJNDQ-UHFFFAOYSA-N 0 0 366.198 4.148 10 0 FIAERN Cc1cc(NC(=O)c2ccccc2F)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000032606205 211553314 /nfs/dbraw/zinc/55/33/14/211553314.db2.gz NNPDCALXKNRHFQ-UHFFFAOYSA-N 0 0 366.392 4.500 10 0 FIAERN Cc1cc(NC(=O)/C=C/c2ccco2)c2cc(C(=O)OC(C)C)ccc2n1 ZINC000032606074 211550803 /nfs/dbraw/zinc/55/08/03/211550803.db2.gz HVLBCPLSKZJDSG-VQHVLOKHSA-N 0 0 364.401 4.353 10 0 FIAERN Cc1cc(=O)n(CCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000032526386 211549038 /nfs/dbraw/zinc/54/90/38/211549038.db2.gz MCXVVMWIOPSBPT-UHFFFAOYSA-N 0 0 374.362 4.358 10 0 FIAERN Cc1cccnc1NC(=O)c1cn(C(C)C)c2ccc(Cl)cc2c1=O ZINC000032607867 211553909 /nfs/dbraw/zinc/55/39/09/211553909.db2.gz QJVVLVZDIVBFJD-UHFFFAOYSA-N 0 0 355.825 4.192 10 0 FIAERN Cc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032450003 211547692 /nfs/dbraw/zinc/54/76/92/211547692.db2.gz KDAWAOBGVNEOOZ-LBPRGKRZSA-N 0 0 363.244 4.293 10 0 FIAERN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000023977156 211399439 /nfs/dbraw/zinc/39/94/39/211399439.db2.gz SXSAJMMVESBALY-UONOGXRCSA-N 0 0 362.267 4.402 10 0 FIAERN COc1cc([C@H](C)NCc2cc(F)ccc2Br)ccc1O ZINC000038038961 211364725 /nfs/dbraw/zinc/36/47/25/211364725.db2.gz ZMEDQNDYCDXFTK-JTQLQIEISA-N 0 0 354.219 4.153 10 0 FIAERN C[C@H](NS(=O)(=O)c1ccnc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000038008565 211343915 /nfs/dbraw/zinc/34/39/15/211343915.db2.gz JOKHXKSIFQXRBM-QMMMGPOBSA-N 0 0 365.669 4.081 10 0 FIAERN CCc1c(C)nc(-c2cc(Br)c(O)c(OC)c2)nc1Cl ZINC000038004055 211342894 /nfs/dbraw/zinc/34/28/94/211342894.db2.gz RSJIRUCXBXYRPX-UHFFFAOYSA-N 0 0 357.635 4.145 10 0 FIAERN CCNC(=O)c1ccc(N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038002994 211342573 /nfs/dbraw/zinc/34/25/73/211342573.db2.gz WIDOVJWMZXPRRR-SNVBAGLBSA-N 0 0 353.285 4.433 10 0 FIAERN CCOC(=O)[C@@H](NC1CCCCC1)c1cc(Br)ccc1F ZINC000037972194 211326628 /nfs/dbraw/zinc/32/66/28/211326628.db2.gz KNDGLKVPKVVWDX-HNNXBMFYSA-N 0 0 358.251 4.115 10 0 FIAERN CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1 ZINC000021142436 211308903 /nfs/dbraw/zinc/30/89/03/211308903.db2.gz OTIXHLXLZRFSRO-UHFFFAOYSA-N 0 0 367.430 4.046 10 0 FIAERN COc1ccccc1[C@H](C)Nc1ccc(I)cc1 ZINC000020477767 211282168 /nfs/dbraw/zinc/28/21/68/211282168.db2.gz SNBQSGVQLYDLII-NSHDSACASA-N 0 0 353.203 4.473 10 0 FIAERN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000017326717 211185323 /nfs/dbraw/zinc/18/53/23/211185323.db2.gz MNVYJMFXZIIUKK-GHMZBOCLSA-N 0 0 350.871 4.021 10 0 FIAERN COc1cc(/C=C/C(=O)Nc2ccc(SC)cc2)cc(OC)c1OC ZINC000016832585 211170492 /nfs/dbraw/zinc/17/04/92/211170492.db2.gz LFJPYEDXJKHOBF-BJMVGYQFSA-N 0 0 359.447 4.086 10 0 FIAERN CC(C)CCNC(=O)c1cc(Br)c(Br)s1 ZINC000015499556 211131627 /nfs/dbraw/zinc/13/16/27/211131627.db2.gz UAEVXHLVLGTTRE-UHFFFAOYSA-N 0 0 355.095 4.049 10 0 FIAERN COc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000014839346 211101637 /nfs/dbraw/zinc/10/16/37/211101637.db2.gz CHDMOOQMYJGJAX-OUKQBFOZSA-N 0 0 352.434 4.332 10 0 FIAERN C[C@H](Nc1ccccc1S(C)(=O)=O)c1sccc1Br ZINC000037304070 211096804 /nfs/dbraw/zinc/09/68/04/211096804.db2.gz HHRTZMGKEBVHTL-VIFPVBQESA-N 0 0 360.298 4.087 10 0 FIAERN COc1cc(OC)c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000014424744 211092312 /nfs/dbraw/zinc/09/23/12/211092312.db2.gz NVQJPKFTIPXPKE-AWEZNQCLSA-N 0 0 365.429 4.357 10 0 FIAERN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CCc2ccccc21 ZINC000014374414 211090896 /nfs/dbraw/zinc/09/08/96/211090896.db2.gz WFXMULCGISAQQV-HNNXBMFYSA-N 0 0 366.442 4.319 10 0 FIAERN C[C@H](Nc1cccc(I)c1)c1ccc2c(c1)CCO2 ZINC000037248057 211075058 /nfs/dbraw/zinc/07/50/58/211075058.db2.gz KYDOWILLZWHAOZ-NSHDSACASA-N 0 0 365.214 4.399 10 0 FIAERN CCOc1cc(-c2cc3c(cc2C(C)C)nc(C)[nH]c3=O)ccc1OC ZINC000013679452 211048121 /nfs/dbraw/zinc/04/81/21/211048121.db2.gz SMRGWACWHWFFKL-UHFFFAOYSA-N 0 0 352.434 4.429 10 0 FIAERN CCC(=O)Oc1c(CC)s/c(=N\c2ccc(C)c(C)c2)n1C(=O)CC ZINC000011638141 210887303 /nfs/dbraw/zinc/88/73/03/210887303.db2.gz FBFCCJMNLNTUTA-VXPUYCOJSA-N 0 0 360.479 4.327 10 0 FIAERN Cc1cccc(C)c1NC(=S)NC(=O)c1cccc(OCC(C)C)c1 ZINC000010121755 210862900 /nfs/dbraw/zinc/86/29/00/210862900.db2.gz CUYYXZJWFDNFGL-UHFFFAOYSA-N 0 0 356.491 4.465 10 0 FIAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010489656 210871581 /nfs/dbraw/zinc/87/15/81/210871581.db2.gz HLNUGQISJZQREB-YVEFUNNKSA-N 0 0 362.832 4.262 10 0 FIAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000009868927 210854418 /nfs/dbraw/zinc/85/44/18/210854418.db2.gz WRLLFDNCYBUYHW-LSDHHAIUSA-N 0 0 355.434 4.393 10 0 FIAERN COc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006776694 210699960 /nfs/dbraw/zinc/69/99/60/210699960.db2.gz WDVURMAKTCCMEI-UHFFFAOYSA-N 0 0 368.412 4.067 10 0 FIAERN CCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1 ZINC000006735891 210693355 /nfs/dbraw/zinc/69/33/55/210693355.db2.gz IMHMUUDGBLHSNC-HXUWFJFHSA-N 0 0 354.475 4.431 10 0 FIAERN Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(C(C)(C)C)c1 ZINC000005542166 210627343 /nfs/dbraw/zinc/62/73/43/210627343.db2.gz IPPHEASDIARCLM-UHFFFAOYSA-N 0 0 355.434 4.081 10 0 FIAERN CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000001930381 210375369 /nfs/dbraw/zinc/37/53/69/210375369.db2.gz FWUUPJYHBKSISL-SDNWHVSQSA-N 0 0 353.418 4.304 10 0 FIAERN O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1C[C@@H]1CCCO1 ZINC000001188783 210331244 /nfs/dbraw/zinc/33/12/44/210331244.db2.gz QOFGHDLHDUWSQO-PBJWJZLWSA-N 0 0 374.314 4.374 10 0 FIAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000050044745 221030714 /nfs/dbraw/zinc/03/07/14/221030714.db2.gz HXAKGNWREVIBKH-MFKMUULPSA-N 0 0 357.679 4.292 10 0 FIAERN Cn1cnc2ccc(-c3noc(-c4ccccc4Br)n3)cc21 ZINC000065240571 221184349 /nfs/dbraw/zinc/18/43/49/221184349.db2.gz PJMSXIINOIWXLZ-UHFFFAOYSA-N 0 0 355.195 4.053 10 0 FIAERN O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)NC1CCCCC1 ZINC000065029726 221164901 /nfs/dbraw/zinc/16/49/01/221164901.db2.gz CAIAKPWBFDBYDN-UHFFFAOYSA-N 0 0 356.445 4.428 10 0 FIAERN CC(C)CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)CO2 ZINC000065082261 221167456 /nfs/dbraw/zinc/16/74/56/221167456.db2.gz PYYFMTREROXCKS-KRWDZBQOSA-N 0 0 372.509 4.061 10 0 FIAERN Cc1cc(C)c(NC(=O)c2cc3c(ccn(CC(C)C)c3=O)n2C)c(C)c1 ZINC000065118938 221169965 /nfs/dbraw/zinc/16/99/65/221169965.db2.gz KXYTXNMVURFEKI-UHFFFAOYSA-N 0 0 365.477 4.174 10 0 FIAERN OCc1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 ZINC000070457284 221332537 /nfs/dbraw/zinc/33/25/37/221332537.db2.gz JKQFJGVOKKPOOJ-UHFFFAOYSA-N 0 0 353.731 4.099 10 0 FIAERN CCOC(=O)c1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000070691952 221333678 /nfs/dbraw/zinc/33/36/78/221333678.db2.gz LJJNABXFFPOBCA-UHFFFAOYSA-N 0 0 364.854 4.034 10 0 FIAERN CCc1ccc(C(=O)COc2ccc(I)cc2)cc1 ZINC000070133352 221331420 /nfs/dbraw/zinc/33/14/20/221331420.db2.gz LZXSKFXVXDRTCX-UHFFFAOYSA-N 0 0 366.198 4.115 10 0 FIAERN C[C@@H](NC(=O)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000071869592 221385189 /nfs/dbraw/zinc/38/51/89/221385189.db2.gz RVQTZXSVXYBFSL-CYBMUJFWSA-N 0 0 359.267 4.278 10 0 FIAERN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000072011719 221396280 /nfs/dbraw/zinc/39/62/80/221396280.db2.gz DQIKJMRVTNBBSA-JKSUJKDBSA-N 0 0 362.882 4.247 10 0 FIAERN O=C1CCN(c2cc(-c3ccccn3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073679024 132376794 /nfs/dbraw/zinc/37/67/94/132376794.db2.gz ASKKECIDCIRWKB-UHFFFAOYSA-N 0 0 364.836 4.028 10 0 FIAERN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 ZINC000022481273 132905145 /nfs/dbraw/zinc/90/51/45/132905145.db2.gz LUQBKQRAAZDQIU-LJQANCHMSA-N 0 0 372.472 4.307 10 0 FIAERN CC1CCN(c2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)CC1 ZINC000040732888 136120271 /nfs/dbraw/zinc/12/02/71/136120271.db2.gz BSRUBZSTGRKLOB-UHFFFAOYSA-N 0 0 351.376 4.058 10 0 FIAERN Cc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3ccccc32)cc1 ZINC000072260683 136144014 /nfs/dbraw/zinc/14/40/14/136144014.db2.gz KPOPKAVVSAMNFG-IAGOWNOFSA-N 0 0 362.477 4.164 10 0 FIAERN Cc1ccc2nc(C)c(C)c(C(=O)N(C)Cc3cnc4ccccn34)c2c1 ZINC000095506980 221933396 /nfs/dbraw/zinc/93/33/96/221933396.db2.gz TXLVQFXLPUNHFP-UHFFFAOYSA-N 0 0 358.445 4.080 10 0 FIAERN CCOC(=O)c1sc(Br)nc1Cc1ccc(OCC)cc1 ZINC000098177739 222230888 /nfs/dbraw/zinc/23/08/88/222230888.db2.gz LYTSDZPMSJSYKE-UHFFFAOYSA-N 0 0 370.268 4.072 10 0 FIAERN I/C=C1/CCCC/C1=C/I ZINC000100042343 222233256 /nfs/dbraw/zinc/23/32/56/222233256.db2.gz DCXREUODXGHLKK-SFECMWDFSA-N 0 0 359.976 4.198 10 0 FIAERN CCN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S ZINC000103728268 222343022 /nfs/dbraw/zinc/34/30/22/222343022.db2.gz ZIYHBHMQNYZWOG-RVDMUPIBSA-N 0 0 360.523 4.065 10 0 FIAERN CC(C)[C@H](C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl ZINC000104000507 222348881 /nfs/dbraw/zinc/34/88/81/222348881.db2.gz FGTWFXVJZGJGPI-QMMMGPOBSA-N 0 0 368.102 4.329 10 0 FIAERN Cc1cc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)ccc1N(C)C ZINC000106029707 222381009 /nfs/dbraw/zinc/38/10/09/222381009.db2.gz FYPIRZXFKBFDLS-UHFFFAOYSA-N 0 0 353.466 4.298 10 0 FIAERN CCCCc1ccc(CC(=O)Nc2ccc(OC)c(OCCOC)c2)cc1 ZINC000106036654 222381640 /nfs/dbraw/zinc/38/16/40/222381640.db2.gz BEJMQJADEZYKHT-UHFFFAOYSA-N 0 0 371.477 4.244 10 0 FIAERN Cc1[nH]nc(-c2ccc(Br)cc2)c1NC(=O)c1ccccc1 ZINC000137933607 222545170 /nfs/dbraw/zinc/54/51/70/222545170.db2.gz CNDHUDLEXBGFSN-UHFFFAOYSA-N 0 0 356.223 4.400 10 0 FIAERN COc1ccc(-c2nc(CN3CCn4cccc4[C@H]3C)c(C)o2)c(OC)c1 ZINC000020996040 523209537 /nfs/dbraw/zinc/20/95/37/523209537.db2.gz YYDKEZIERRFWBG-CQSZACIVSA-N 0 0 367.449 4.046 10 0 FIAERN Cc1c([C@H](C)NC(=O)CSc2ccccc2)cnn1-c1ccccc1 ZINC000091650180 525909469 /nfs/dbraw/zinc/90/94/69/525909469.db2.gz ATMXURAFCWGIMO-HNNXBMFYSA-N 0 0 351.475 4.150 10 0 FIAERN CC(C)CN(CC(C)C)c1ncnc(N2CCCc3ccccc32)c1N ZINC000040735636 535038451 /nfs/dbraw/zinc/03/84/51/535038451.db2.gz GTJSXVLAHYDRNU-UHFFFAOYSA-N 0 0 353.514 4.262 10 0 FIAERN COc1ccc(CC(=O)N2c3ccccc3S(=O)c3ccccc32)cc1 ZINC000072470927 536825234 /nfs/dbraw/zinc/82/52/34/536825234.db2.gz JBGDNTHMPGXMLV-UHFFFAOYSA-N 0 0 363.438 4.083 10 0 FIAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)cs1 ZINC000195008576 567825729 /nfs/dbraw/zinc/82/57/29/567825729.db2.gz XYRIFEAWUAQCFP-APPZFPTMSA-N 0 0 356.207 4.362 10 0 FIAERN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330263294 567965606 /nfs/dbraw/zinc/96/56/06/567965606.db2.gz WIMBAOBYQXJJIV-SWLSCSKDSA-N 0 0 364.371 4.297 10 0 FIAERN CCC1(CC)CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000188610530 567988455 /nfs/dbraw/zinc/98/84/55/567988455.db2.gz YCNRVUFGDMEJBE-UYAOXDASSA-N 0 0 356.510 4.025 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000162655513 568001796 /nfs/dbraw/zinc/00/17/96/568001796.db2.gz XPKONQKSEZBLPL-FCHUYYIVSA-N 0 0 373.500 4.158 10 0 FIAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H](C)NC(=O)C2CCCCC2)o1 ZINC000128582728 568045412 /nfs/dbraw/zinc/04/54/12/568045412.db2.gz FKWGQCBFTZGTHF-APWZRJJASA-N 0 0 374.525 4.371 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@@H](C)NC(=O)C2CCCCC2)o1 ZINC000128582941 568061107 /nfs/dbraw/zinc/06/11/07/568061107.db2.gz FKWGQCBFTZGTHF-VQIMIIECSA-N 0 0 374.525 4.371 10 0 FIAERN Cc1cccc2c(CCNC(=O)[C@@H]3C[C@@H]3c3ccc(F)c(F)c3)c[nH]c21 ZINC000128662528 568127112 /nfs/dbraw/zinc/12/71/12/568127112.db2.gz CRAJDVKGRHPEBI-IAGOWNOFSA-N 0 0 354.400 4.217 10 0 FIAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CC[C@H]2CCC[C@@H]21 ZINC000330294898 568140239 /nfs/dbraw/zinc/14/02/39/568140239.db2.gz FJYKBQNJNHJFFI-ZBFHGGJFSA-N 0 0 364.474 4.010 10 0 FIAERN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC[C@H]4CCC[C@@H]43)c12 ZINC000330306987 568216956 /nfs/dbraw/zinc/21/69/56/568216956.db2.gz LPQCSEOONMFDCA-QAPCUYQASA-N 0 0 366.509 4.387 10 0 FIAERN CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc2)no1 ZINC000330306777 568218392 /nfs/dbraw/zinc/21/83/92/568218392.db2.gz LLSMSGYJEUEOQV-WMLDXEAASA-N 0 0 353.466 4.340 10 0 FIAERN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC[C@H]4CCC[C@H]43)c12 ZINC000330306985 568218682 /nfs/dbraw/zinc/21/86/82/568218682.db2.gz LPQCSEOONMFDCA-CRAIPNDOSA-N 0 0 366.509 4.387 10 0 FIAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)o1 ZINC000408332008 568709142 /nfs/dbraw/zinc/70/91/42/568709142.db2.gz UEOMXLGZRWJVMS-QZTJIDSGSA-N 0 0 370.497 4.160 10 0 FIAERN CCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccc(F)cc1 ZINC000034796600 570559134 /nfs/dbraw/zinc/55/91/34/570559134.db2.gz MFLSIDWXXHXOTK-UHFFFAOYSA-N 0 0 368.368 4.151 10 0 FIAERN Cc1cc(C)c(-c2cc(C(=O)NCc3ccc(F)cc3)nn2C)c(C)c1 ZINC000034901537 570562525 /nfs/dbraw/zinc/56/25/25/570562525.db2.gz VIMMVEJZOZEHEK-UHFFFAOYSA-N 0 0 351.425 4.081 10 0 FIAERN Cc1ccc2ncn(C3CCN(C(=O)/C=C/c4ccc(F)cc4)CC3)c2c1 ZINC000034915300 570562992 /nfs/dbraw/zinc/56/29/92/570562992.db2.gz PTTGDNFXRGTZHD-WEVVVXLNSA-N 0 0 363.436 4.361 10 0 FIAERN Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCc5ccccc54)sc3c2c1 ZINC000004954139 570614903 /nfs/dbraw/zinc/61/49/03/570614903.db2.gz GSYQFHANISVBJH-UHFFFAOYSA-N 0 0 360.438 4.254 10 0 FIAERN OCCNc1nc(Oc2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000024747346 570981012 /nfs/dbraw/zinc/98/10/12/570981012.db2.gz YRTAJMCJSCVFNL-UHFFFAOYSA-N 0 0 357.413 4.493 10 0 FIAERN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(Cc2ccccc2)C1 ZINC000584880202 570987911 /nfs/dbraw/zinc/98/79/11/570987911.db2.gz JMCYGGKINFUVMD-GOSISDBHSA-N 0 0 352.478 4.390 10 0 FIAERN CC[C@@H](C(=O)OCCN1CCO[C@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000038609782 571085335 /nfs/dbraw/zinc/08/53/35/571085335.db2.gz BAQKJENAVQLANS-BWAGFHJFSA-N 0 0 367.489 4.185 10 0 in-man FIAERN COc1ccccc1CN(Cc1cccnc1)Cc1ccnc(C(C)C)n1 ZINC000055119541 571116583 /nfs/dbraw/zinc/11/65/83/571116583.db2.gz GKRGUXDOZBEFCH-UHFFFAOYSA-N 0 0 362.477 4.206 10 0 FIAERN Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000006808129 571182437 /nfs/dbraw/zinc/18/24/37/571182437.db2.gz QQMLSMZYURPYPU-FGZHOGPDSA-N 0 0 370.452 4.190 10 0 FIAERN CN(Cc1csc(-c2cccs2)n1)C(=O)c1noc2c1CCCC2 ZINC000072453624 571197390 /nfs/dbraw/zinc/19/73/90/571197390.db2.gz 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ZINC000151811977 1080224943 /nfs/dbraw/zinc/22/49/43/1080224943.db2.gz DOGIAGFWEVIXAI-YOEHRIQHSA-N 0 0 356.388 4.173 10 0 FIAERN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000245951795 1080234632 /nfs/dbraw/zinc/23/46/32/1080234632.db2.gz LFHJDFCQRNGHFL-ZACQAIPSSA-N 0 0 373.545 4.066 10 0 FIAERN CSc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000152056658 1080408782 /nfs/dbraw/zinc/40/87/82/1080408782.db2.gz BESMIQHDLUJVRI-YVEFUNNKSA-N 0 0 354.903 4.221 10 0 FIAERN O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000286434003 1080425502 /nfs/dbraw/zinc/42/55/02/1080425502.db2.gz PRSXNYWZSRZNQA-NIKGAXFTSA-N 0 0 358.869 4.044 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)C2 ZINC000112743294 1080550909 /nfs/dbraw/zinc/55/09/09/1080550909.db2.gz PECFSCZIUWYKMS-NSHDSACASA-N 0 0 366.918 4.087 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H](c1ccccc1)C1CCC1)C2 ZINC000112748926 1080551515 /nfs/dbraw/zinc/55/15/15/1080551515.db2.gz VZXFCOVHBFASTJ-HXUWFJFHSA-N 0 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1084153573 /nfs/dbraw/zinc/15/35/73/1084153573.db2.gz XHLYJEZEPAAGAI-KRWDZBQOSA-N 0 0 372.421 4.064 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CCO2)o1 ZINC000151808585 1084297190 /nfs/dbraw/zinc/29/71/90/1084297190.db2.gz JTYKNLOTCXFUIA-NVXWUHKLSA-N 0 0 367.367 4.224 10 0 FIAERN CC[C@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCCO1 ZINC000332874728 1084942005 /nfs/dbraw/zinc/94/20/05/1084942005.db2.gz CTWXFHBNBNJDKC-FUHWJXTLSA-N 0 0 358.482 4.034 10 0 FIAERN C[C@H]1C[C@H](C(=O)NCCc2nc(-c3ccncc3)cs2)CC(C)(C)C1 ZINC000332911485 1084992408 /nfs/dbraw/zinc/99/24/08/1084992408.db2.gz RKALMJUXDSOQAK-HOCLYGCPSA-N 0 0 357.523 4.326 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(F)cc3C(F)(F)F)CCO2)o1 ZINC000153924315 1086255791 /nfs/dbraw/zinc/25/57/91/1086255791.db2.gz GZWPLLFUKZCXKU-HNNXBMFYSA-N 0 0 372.318 4.351 10 0 FIAERN COc1cccc2cc([C@@H](C)N[C@@H](c3nnc(C)[nH]3)c3ccccc3)oc21 ZINC000154161875 1086310184 /nfs/dbraw/zinc/31/01/84/1086310184.db2.gz GHOVHVSJUYJOPE-BFUOFWGJSA-N 0 0 362.433 4.308 10 0 FIAERN Cc1noc(C2CC2)c1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000155052883 1086472193 /nfs/dbraw/zinc/47/21/93/1086472193.db2.gz QGPMBQDVPCGAFX-HNNXBMFYSA-N 0 0 361.829 4.199 10 0 FIAERN Cc1csc(C2CCN(C(=O)c3cnn(CC(C)C)c3C3CC3)CC2)n1 ZINC000155519917 1086532057 /nfs/dbraw/zinc/53/20/57/1086532057.db2.gz ZTSLQHGJAGCRDE-UHFFFAOYSA-N 0 0 372.538 4.201 10 0 FIAERN CC(C)[C@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(F)cc1F ZINC000155513085 1086532121 /nfs/dbraw/zinc/53/21/21/1086532121.db2.gz ZKKROMCZZDAWFI-ROUUACIJSA-N 0 0 364.392 4.038 10 0 FIAERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000156137652 1086638947 /nfs/dbraw/zinc/63/89/47/1086638947.db2.gz RLJQCYKDCSCJMH-AWEZNQCLSA-N 0 0 371.460 4.102 10 0 FIAERN C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156720192 1086750922 /nfs/dbraw/zinc/75/09/22/1086750922.db2.gz IKOZSBLBYIPZDJ-ZDUSSCGKSA-N 0 0 369.502 4.013 10 0 FIAERN CC(C)Sc1ccccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000159102933 1087204526 /nfs/dbraw/zinc/20/45/26/1087204526.db2.gz XYDZSTUCPRILKA-UHFFFAOYSA-N 0 0 372.538 4.407 10 0 FIAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccc(C)o1)CCC2 ZINC000407963028 1088475840 /nfs/dbraw/zinc/47/58/40/1088475840.db2.gz CSCFALCYDCRTSU-QZTJIDSGSA-N 0 0 370.497 4.297 10 0 FIAERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCCC[C@H]1c1ccc(C)o1)CCC2 ZINC000407963030 1088476773 /nfs/dbraw/zinc/47/67/73/1088476773.db2.gz CSCFALCYDCRTSU-ROUUACIJSA-N 0 0 370.497 4.297 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)C2)no1 ZINC000408012227 1088782811 /nfs/dbraw/zinc/78/28/11/1088782811.db2.gz CUUSPJVPILRHIZ-BFHYXJOUSA-N 0 0 373.419 4.268 10 0 FIAERN CC(C)(C)[C@@H]1C[C@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000408027790 1088899463 /nfs/dbraw/zinc/89/94/63/1088899463.db2.gz MPJZRLGARKLOGL-PQAZSJQKSA-N 0 0 350.425 4.000 10 0 FIAERN Cc1csc(-c2cccc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)c2)n1 ZINC000122685823 1088933559 /nfs/dbraw/zinc/93/35/59/1088933559.db2.gz GWPUIWIAJYZGEK-KRWDZBQOSA-N 0 0 352.463 4.209 10 0 FIAERN CC(C)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000114807925 1090061413 /nfs/dbraw/zinc/06/14/13/1090061413.db2.gz DWWMNLWTWXTYBM-KRWDZBQOSA-N 0 0 357.498 4.213 10 0 FIAERN Cc1nc([C@H]2CCCN2C(=O)Nc2cc(Cl)c(C)cc2Cl)no1 ZINC000408102017 1091431451 /nfs/dbraw/zinc/43/14/51/1091431451.db2.gz YHIBAMAQPJTXHG-CYBMUJFWSA-N 0 0 355.225 4.362 10 0 FIAERN O=C(Nc1ccc(-c2ccco2)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408364017 1091814586 /nfs/dbraw/zinc/81/45/86/1091814586.db2.gz FAWQGXNHGCHAAT-FOIQADDNSA-N 0 0 358.413 4.245 10 0 FIAERN CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000187240665 1091862371 /nfs/dbraw/zinc/86/23/71/1091862371.db2.gz OIKFZDWNTZYGCO-KUHUBIRLSA-N 0 0 366.889 4.286 10 0 FIAERN Cc1cc2cccnc2c(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000408419505 1092749702 /nfs/dbraw/zinc/74/97/02/1092749702.db2.gz LBTBWLBKLLTLLI-IXMYUCAJSA-N 0 0 367.493 4.337 10 0 FIAERN CCc1ccc([C@H]2CCCN2C(=O)NC2CCC3(CCOCC3)CC2)o1 ZINC000408420296 1092756586 /nfs/dbraw/zinc/75/65/86/1092756586.db2.gz UPYZCISWZUTORN-GOSISDBHSA-N 0 0 360.498 4.428 10 0 FIAERN O=C(Nc1cc(Cl)c(Cl)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408421636 1092768296 /nfs/dbraw/zinc/76/82/96/1092768296.db2.gz MDNYIMSRHHXMQO-HWPZZCPQSA-N 0 0 361.244 4.291 10 0 FIAERN Cc1cc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc(C)c1Cl ZINC000408427739 1092862812 /nfs/dbraw/zinc/86/28/12/1092862812.db2.gz QWBABPNNDLCPED-UHFFFAOYSA-N 0 0 360.889 4.404 10 0 FIAERN COc1cc(Cl)c(Cl)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000191292170 1093216201 /nfs/dbraw/zinc/21/62/01/1093216201.db2.gz GEGFCUZBOCBRAR-DIFFPNOSSA-N 0 0 373.280 4.161 10 0 FIAERN CCC1CCC(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)CC1 ZINC000333006620 1093324437 /nfs/dbraw/zinc/32/44/37/1093324437.db2.gz DZDSUQCTPTXDKL-UHFFFAOYSA-N 0 0 358.530 4.077 10 0 FIAERN Cc1c2cccc(Cl)c2oc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000333047880 1093463022 /nfs/dbraw/zinc/46/30/22/1093463022.db2.gz AHFHZTVNADZWIH-SWLSCSKDSA-N 0 0 373.840 4.370 10 0 FIAERN 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/nfs/dbraw/zinc/02/78/70/522027870.db2.gz LKIYRRYNKLXEKJ-UHFFFAOYSA-N 0 0 370.674 4.410 10 0 FIAERN C[C@@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1 ZINC000073657153 525416041 /nfs/dbraw/zinc/41/60/41/525416041.db2.gz MFHFEXAZQDNMKA-NVXWUHKLSA-N 0 0 362.470 4.043 10 0 FIAERN Cc1cccnc1CNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000020168081 525527006 /nfs/dbraw/zinc/52/70/06/525527006.db2.gz YXNNCVCKDCXQDQ-UHFFFAOYSA-N 0 0 361.380 4.253 10 0 FIAERN C/C=C\[C@@H]1[C@@H](C(=O)OCc2c(F)c(F)c(COC)c(F)c2F)C1(C)C ZINC000011616677 560211389 /nfs/dbraw/zinc/21/13/89/560211389.db2.gz KVIZNNVXXNFLMU-DUVUQDDDSA-N 0 0 360.347 4.281 10 0 in-vitro FIAERN COc1cc2c(c(O)c1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000014819304 560226641 /nfs/dbraw/zinc/22/66/41/560226641.db2.gz PMQBKFKEJGCJIK-KRWDZBQOSA-N 0 0 354.402 4.322 10 0 biogenic,in-vitro FIAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000188551252 567924878 /nfs/dbraw/zinc/92/48/78/567924878.db2.gz BHGGFMKGHXSJLU-CJNGLKHVSA-N 0 0 360.841 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364.415 4.050 10 0 FIAERN CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116781970 1079579651 /nfs/dbraw/zinc/57/96/51/1079579651.db2.gz QLMALPZAZATQMP-PMACEKPBSA-N 0 0 360.546 4.130 10 0 FIAERN O=C(c1cc(Cl)c2ccccc2n1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000286433984 1080425600 /nfs/dbraw/zinc/42/56/00/1080425600.db2.gz PRSXNYWZSRZNQA-GDIGMMSISA-N 0 0 358.869 4.044 10 0 FIAERN CCCn1ccc2cc(NC(=O)N3CCC(c4ccnn4C)CC3)ccc21 ZINC000153697813 1080726971 /nfs/dbraw/zinc/72/69/71/1080726971.db2.gz MCMIHZAAUXUBRK-UHFFFAOYSA-N 0 0 365.481 4.196 10 0 FIAERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000332849158 1081054032 /nfs/dbraw/zinc/05/40/32/1081054032.db2.gz SBYRLPOTYFKXFZ-KKXDTOCCSA-N 0 0 354.454 4.253 10 0 FIAERN COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000332936625 1081054132 /nfs/dbraw/zinc/05/41/32/1081054132.db2.gz LJXSGCLSVUHPGS-ZBFHGGJFSA-N 0 0 359.495 4.458 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000119202150 1082102356 /nfs/dbraw/zinc/10/23/56/1082102356.db2.gz CYJALPDOJUXRMA-IEBWSBKVSA-N 0 0 370.472 4.009 10 0 FIAERN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000328758029 1082224098 /nfs/dbraw/zinc/22/40/98/1082224098.db2.gz VLUNYHDNZGNMRP-KRWDZBQOSA-N 0 0 370.453 4.062 10 0 FIAERN CSc1ccc(Cl)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000166053924 1084303004 /nfs/dbraw/zinc/30/30/04/1084303004.db2.gz HHLIJKWKVQVNMJ-SJKOYZFVSA-N 0 0 354.903 4.221 10 0 FIAERN CSc1ccc(Cl)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000166054041 1084303840 /nfs/dbraw/zinc/30/38/40/1084303840.db2.gz HHLIJKWKVQVNMJ-PXAZEXFGSA-N 0 0 354.903 4.221 10 0 FIAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000332778794 1084850951 /nfs/dbraw/zinc/85/09/51/1084850951.db2.gz OZWOREPYZDSFTG-DRJBRKBZSA-N 0 0 373.541 4.407 10 0 FIAERN C[C@@]1(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1(Cl)Cl ZINC000152546247 1085032628 /nfs/dbraw/zinc/03/26/28/1085032628.db2.gz CRAPMQXIBKIYHL-ZBFHGGJFSA-N 0 0 353.224 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O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000153514144 1120394025 /nfs/dbraw/zinc/39/40/25/1120394025.db2.gz ICXZHPCPHVYKGV-WZONZLPQSA-N 0 0 362.473 4.417 10 0 FIAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000129724465 1125247872 /nfs/dbraw/zinc/24/78/72/1125247872.db2.gz IXBUVTOTIDYVEA-FUHWJXTLSA-N 0 0 353.466 4.014 10 0 FIAERN c1cnc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cccnc1-2 ZINC000000538342 219305104 /nfs/dbraw/zinc/30/51/04/219305104.db2.gz FJYRSJDIZKTXKB-UHFFFAOYSA-N 0 0 350.425 4.019 10 0 in-man FIAERN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CC3)cc2c1 ZINC000001364878 219399337 /nfs/dbraw/zinc/39/93/37/219399337.db2.gz WBRPZFZTMSUSCX-UHFFFAOYSA-N 0 0 366.848 4.295 10 0 FIAERN CCN(CC)C(=O)CSc1nc(Cc2ccccc2)nc2ccccc21 ZINC000001342588 219396643 /nfs/dbraw/zinc/39/66/43/219396643.db2.gz FJTKLHFZNDDLFE-UHFFFAOYSA-N 0 0 365.502 4.181 10 0 FIAERN ClC(Cl)(Cl)c1nc(Cc2ccc(-c3csnn3)cc2)no1 ZINC000002567014 219449583 /nfs/dbraw/zinc/44/95/83/219449583.db2.gz BPTVUVVYCNWKSM-UHFFFAOYSA-N 0 0 361.641 4.006 10 0 FIAERN COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(C)=O)C=C3C)nc2c1 ZINC000072320946 291082513 /nfs/dbraw/zinc/08/25/13/291082513.db2.gz WWLSINURQHPUEZ-LNLFQRSKSA-N 0 0 369.509 4.105 10 0 biogenic FIAERN O=C1C2=NN(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2CN1C1CCCCC1 ZINC000247854391 222951319 /nfs/dbraw/zinc/95/13/19/222951319.db2.gz ISGMNIMPQHJGON-GMAHTHKFSA-N 0 0 373.500 4.391 10 0 FIAERN CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@@H](O)CCCCO)n1 ZINC000004489631 219578682 /nfs/dbraw/zinc/57/86/82/219578682.db2.gz JNBOAUIJLDEICX-ICTWXUQXSA-N 0 0 361.526 4.048 10 0 in-vitro FIAERN CCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCC ZINC000005511488 219685983 /nfs/dbraw/zinc/68/59/83/219685983.db2.gz GCDUWJFWXVRGSM-UHFFFAOYSA-N 0 0 374.518 4.047 10 0 FIAERN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000009816730 219885901 /nfs/dbraw/zinc/88/59/01/219885901.db2.gz YUOYLSMCJZXILT-UHFFFAOYSA-N 0 0 369.421 4.024 10 0 FIAERN Fc1ccc([C@H]2CCCN2Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000012586933 220008843 /nfs/dbraw/zinc/00/88/43/220008843.db2.gz FGBVJKPLBJITGW-GOSISDBHSA-N 0 0 355.388 4.276 10 0 FIAERN O=C(c1sccc1Cl)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000012836987 220034385 /nfs/dbraw/zinc/03/43/85/220034385.db2.gz BOFCNGWPERMQQN-UHFFFAOYSA-N 0 0 362.813 4.394 10 0 FIAERN CC(=O)Oc1ccc2c(c1)CC[C@@H]1C2=CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 ZINC000013467214 220068845 /nfs/dbraw/zinc/06/88/45/220068845.db2.gz UESVTJRTUBOKMJ-CLAROIROSA-N 0 0 354.446 4.309 10 0 FIAERN O=C1c2c(O)cccc2C(Sc2ccc(O)cc2)c2cccc(O)c21 ZINC000013757273 220093850 /nfs/dbraw/zinc/09/38/50/220093850.db2.gz RDAMJAZCJDHAJQ-UHFFFAOYSA-N 0 0 350.395 4.230 10 0 FIAERN CC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000014577241 220127013 /nfs/dbraw/zinc/12/70/13/220127013.db2.gz PQHCJZKMPBOYLH-JOCHJYFZSA-N 0 0 358.441 4.473 10 0 FIAERN CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000014657534 220128501 /nfs/dbraw/zinc/12/85/01/220128501.db2.gz UPVHHGNKKRMRNM-MRXNPFEDSA-N 0 0 374.440 4.119 10 0 FIAERN CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000014838847 220134012 /nfs/dbraw/zinc/13/40/12/220134012.db2.gz HYPODSLYJFELLV-UHFFFAOYSA-N 0 0 361.239 4.440 10 0 FIAERN CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000015053688 220142566 /nfs/dbraw/zinc/14/25/66/220142566.db2.gz KMSRCSAKWITZNX-SKCGTWTRSA-N 0 0 370.405 4.058 10 0 FIAERN N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1C(F)(F)F ZINC000015054028 220142975 /nfs/dbraw/zinc/14/29/75/220142975.db2.gz RNNUIOISXQVJJZ-AJUKGGFZSA-N 0 0 364.348 4.467 10 0 FIAERN C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(Cl)cc1 ZINC000015619781 220157280 /nfs/dbraw/zinc/15/72/80/220157280.db2.gz VGTJOLOJTWIQFL-GHMZBOCLSA-N 0 0 360.866 4.264 10 0 FIAERN CCc1nc2cccnc2n1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000015681961 220160971 /nfs/dbraw/zinc/16/09/71/220160971.db2.gz FKZFEPCEALOYPS-CRAIPNDOSA-N 0 0 362.477 4.291 10 0 FIAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 ZINC000018230983 220229157 /nfs/dbraw/zinc/22/91/57/220229157.db2.gz YCBUKGHDVHUZJR-SNVBAGLBSA-N 0 0 352.217 4.256 10 0 FIAERN CCOC(=O)c1sc2ncnc(Nc3cc(Cl)ccc3O)c2c1C ZINC000019961095 220307972 /nfs/dbraw/zinc/30/79/72/220307972.db2.gz UIQXFLCULRJOIB-UHFFFAOYSA-N 0 0 363.826 4.279 10 0 FIAERN COc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc(Cl)c1OC ZINC000020035975 220310656 /nfs/dbraw/zinc/31/06/56/220310656.db2.gz CYSSMEMUJFPICI-ARJAWSKDSA-N 0 0 360.719 4.042 10 0 FIAERN CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373525 220323583 /nfs/dbraw/zinc/32/35/83/220323583.db2.gz BDLKVDWNWZUMNM-GOSISDBHSA-N 0 0 350.462 4.166 10 0 FIAERN C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000020342537 220323730 /nfs/dbraw/zinc/32/37/30/220323730.db2.gz QXRLFGCKCRGITD-KBPBESRZSA-N 0 0 372.490 4.315 10 0 FIAERN C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000020342518 220324212 /nfs/dbraw/zinc/32/42/12/220324212.db2.gz HXGIWGWKDAOWQK-KBPBESRZSA-N 0 0 372.490 4.030 10 0 FIAERN COc1ccc([C@@H](C)Nc2ccc(I)cc2)cc1 ZINC000020477665 220327496 /nfs/dbraw/zinc/32/74/96/220327496.db2.gz UGUVDOIYUHHTQP-LLVKDONJSA-N 0 0 353.203 4.473 10 0 FIAERN COc1cccc([C@@H](C)Nc2cccc(I)c2)c1 ZINC000020478890 220328457 /nfs/dbraw/zinc/32/84/57/220328457.db2.gz PVQGGHJUALGTOQ-LLVKDONJSA-N 0 0 353.203 4.473 10 0 FIAERN CSc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000020994872 220348060 /nfs/dbraw/zinc/34/80/60/220348060.db2.gz DSKMPFPRCVZKJL-GOSISDBHSA-N 0 0 374.937 4.456 10 0 FIAERN CCOc1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000021106119 220350311 /nfs/dbraw/zinc/35/03/11/220350311.db2.gz GIGHEXYKUDIUCF-IBGZPJMESA-N 0 0 365.458 4.309 10 0 FIAERN CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000022624077 220392999 /nfs/dbraw/zinc/39/29/99/220392999.db2.gz OPXJEJQRPHWHEJ-ZDUSSCGKSA-N 0 0 361.463 4.454 10 0 FIAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1F ZINC000025144660 220475252 /nfs/dbraw/zinc/47/52/52/220475252.db2.gz PUFPIQMWBGTOIV-PSASIEDQSA-N 0 0 368.168 4.439 10 0 FIAERN COc1cccc2c(C)cc(=O)n(CC(=O)Nc3cccc4ccccc43)c12 ZINC000032530865 220664450 /nfs/dbraw/zinc/66/44/50/220664450.db2.gz CCDUYBCBIWRDIW-UHFFFAOYSA-N 0 0 372.424 4.110 10 0 FIAERN CCCN(CCC)C(=O)c1cn2c(n1)CC[C@H](c1cc(F)ccc1OC)C2 ZINC000034899041 220766301 /nfs/dbraw/zinc/76/63/01/220766301.db2.gz DTNGZIVUFJEZRV-HNNXBMFYSA-N 0 0 373.472 4.023 10 0 FIAERN CC(=O)c1cc(F)ccc1Oc1ccc(I)cc1 ZINC000036805030 220832076 /nfs/dbraw/zinc/83/20/76/220832076.db2.gz SRZVNEGQYHDPEO-UHFFFAOYSA-N 0 0 356.134 4.425 10 0 FIAERN C[C@@H](Nc1ccc2n[nH]cc2c1)c1ccc(I)cc1 ZINC000037283995 220833828 /nfs/dbraw/zinc/83/38/28/220833828.db2.gz QEGFTBYVCFAZEB-SNVBAGLBSA-N 0 0 363.202 4.341 10 0 FIAERN COc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1O ZINC000037317315 220834543 /nfs/dbraw/zinc/83/45/43/220834543.db2.gz NEAZRXGNZLSXJI-JTQLQIEISA-N 0 0 369.202 4.179 10 0 FIAERN CN(Cc1cc(Br)cs1)C(=O)c1ccc(Cl)c(N)c1 ZINC000037814121 220840755 /nfs/dbraw/zinc/84/07/55/220840755.db2.gz WYNGEGKCSGLNKG-UHFFFAOYSA-N 0 0 359.676 4.018 10 0 FIAERN CCN(Cc1ccc(Br)s1)C(=O)c1ccnc(Cl)c1 ZINC000037978896 220844448 /nfs/dbraw/zinc/84/44/48/220844448.db2.gz QOCVLVGHHSAHDS-UHFFFAOYSA-N 0 0 359.676 4.221 10 0 FIAERN O=C(Nc1ccccc1)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1 ZINC000040180169 220895296 /nfs/dbraw/zinc/89/52/96/220895296.db2.gz PGXSNIYKSUWVBU-UHFFFAOYSA-N 0 0 358.376 4.326 10 0 FIAERN CC(C)c1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000040180039 220895416 /nfs/dbraw/zinc/89/54/16/220895416.db2.gz WUIQHFHWYAQJRB-UHFFFAOYSA-N 0 0 354.841 4.321 10 0 FIAERN OCCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040402428 220905796 /nfs/dbraw/zinc/90/57/96/220905796.db2.gz MBGPBMZNUMDNNT-UHFFFAOYSA-N 0 0 351.233 4.305 10 0 FIAERN CC(=O)c1sc(NC(=O)c2nc(C)sc2-c2ccccc2)nc1C ZINC000040326829 220902253 /nfs/dbraw/zinc/90/22/53/220902253.db2.gz GENXXSZNOZJAHE-UHFFFAOYSA-N 0 0 357.460 4.338 10 0 FIAERN Cc1ccnc(Nc2ncnc(Sc3cccc4cccnc43)c2N)c1 ZINC000040701470 220916181 /nfs/dbraw/zinc/91/61/81/220916181.db2.gz IAHRQYPDBFQTSB-UHFFFAOYSA-N 0 0 360.446 4.205 10 0 FIAERN Cc1cccc(N(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1C ZINC000040967126 220926074 /nfs/dbraw/zinc/92/60/74/220926074.db2.gz FGOYEXOYWPKVGQ-UHFFFAOYSA-N 0 0 365.454 4.339 10 0 FIAERN COc1ccc2oc(=O)c(C(=O)Oc3ccccc3C(C)(C)C)cc2c1 ZINC000040949494 220926453 /nfs/dbraw/zinc/92/64/53/220926453.db2.gz LPWYAGQZIAKMEU-UHFFFAOYSA-N 0 0 352.386 4.318 10 0 FIAERN Cc1nc(Nc2ncnc(Nc3cccc4ncccc43)c2N)sc1C ZINC000040783115 220921804 /nfs/dbraw/zinc/92/18/04/220921804.db2.gz XEMXXBWEGYVIRP-UHFFFAOYSA-N 0 0 363.450 4.168 10 0 FIAERN COc1ccc(OC)c(CCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000048545486 221013287 /nfs/dbraw/zinc/01/32/87/221013287.db2.gz ODZNIXXNEYNURZ-UHFFFAOYSA-N 0 0 353.340 4.294 10 0 FIAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000050044747 221030353 /nfs/dbraw/zinc/03/03/53/221030353.db2.gz HXAKGNWREVIBKH-ZWNOBZJWSA-N 0 0 357.679 4.292 10 0 FIAERN COc1ccc(Cn2nc(C)c(Br)c2C)cc1Br ZINC000050594034 221032733 /nfs/dbraw/zinc/03/27/33/221032733.db2.gz YBTBYYQMKKEEIS-UHFFFAOYSA-N 0 0 374.076 4.082 10 0 FIAERN Brc1ccc(NCCc2ccccn2)c(Br)c1 ZINC000049163662 221020256 /nfs/dbraw/zinc/02/02/56/221020256.db2.gz ZEALNXSOSJVSPT-UHFFFAOYSA-N 0 0 356.061 4.261 10 0 FIAERN CC(C)c1ccc(OCCCC2N=NC(=S)N2C)c(Br)c1 ZINC000064872391 221155142 /nfs/dbraw/zinc/15/51/42/221155142.db2.gz CQTXTGWMPSUJCX-UHFFFAOYSA-N 0 0 370.316 4.001 10 0 FIAERN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c1-c1nc(C(C)C)no1 ZINC000065186053 221177115 /nfs/dbraw/zinc/17/71/15/221177115.db2.gz DLWUIDPQIRDBAO-UHFFFAOYSA-N 0 0 356.401 4.056 10 0 FIAERN Cc1cc(-c2nc(C3CC3)no2)c(C)n1CC(=O)Nc1ccc(Cl)cc1 ZINC000065195005 221177672 /nfs/dbraw/zinc/17/76/72/221177672.db2.gz YUUJBYSLJFDYDY-UHFFFAOYSA-N 0 0 370.840 4.324 10 0 FIAERN O=C(Cc1ccsc1)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1 ZINC000065225343 221182524 /nfs/dbraw/zinc/18/25/24/221182524.db2.gz NXDXSDMWUJVGNJ-UHFFFAOYSA-N 0 0 371.893 4.240 10 0 FIAERN CC(C)CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2 ZINC000065082264 221167895 /nfs/dbraw/zinc/16/78/95/221167895.db2.gz PYYFMTREROXCKS-QGZVFWFLSA-N 0 0 372.509 4.061 10 0 FIAERN O=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168680 221174708 /nfs/dbraw/zinc/17/47/08/221174708.db2.gz KNQVHPGURXOAPB-UHFFFAOYSA-N 0 0 373.840 4.196 10 0 FIAERN CCOc1ccc(-c2nc(Cc3noc(-c4cccnc4)n3)c(C)o2)cc1 ZINC000065247412 221187278 /nfs/dbraw/zinc/18/72/78/221187278.db2.gz RJHZDRREBBUYOM-UHFFFAOYSA-N 0 0 362.389 4.085 10 0 FIAERN CC[C@H]1c2[nH]cnc2CCN1Cc1cnc(-c2ccccc2OC)s1 ZINC000067489861 221257100 /nfs/dbraw/zinc/25/71/00/221257100.db2.gz FOLWUAGLSJQXOZ-INIZCTEOSA-N 0 0 354.479 4.051 10 0 FIAERN O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000072011720 221395807 /nfs/dbraw/zinc/39/58/07/221395807.db2.gz DQIKJMRVTNBBSA-CVEARBPZSA-N 0 0 362.882 4.247 10 0 FIAERN CC(C)c1cc(N2CCC(=O)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073679047 132376711 /nfs/dbraw/zinc/37/67/11/132376711.db2.gz RIUSJFSENLPWEN-UHFFFAOYSA-N 0 0 363.383 4.455 10 0 FIAERN Cc1ccc(CN2CN(c3ccc(C)cc3)c3nc(C)c(C)c(=O)n3C2)cc1 ZINC000072441817 136147707 /nfs/dbraw/zinc/14/77/07/136147707.db2.gz ANZFKNNEJATULI-UHFFFAOYSA-N 0 0 374.488 4.046 10 0 FIAERN CC1(C)Cc2nc(Nc3ccc(Cl)cc3Cl)nc(N)c2C(=O)C1 ZINC000072467679 221541780 /nfs/dbraw/zinc/54/17/80/221541780.db2.gz RKXBDYZTXIZCLD-UHFFFAOYSA-N 0 0 351.237 4.264 10 0 FIAERN CC(=O)n1ncc2c1C[C@@H]1CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 ZINC000077269779 221600441 /nfs/dbraw/zinc/60/04/41/221600441.db2.gz JTUFDCHVFRWLEQ-CSOYKPOESA-N 0 0 354.494 4.070 10 0 in-vitro FIAERN CC(C)(C)OC(=O)N1CCC(CCCOc2nc3ccccc3[nH]2)CC1 ZINC000095083722 221845954 /nfs/dbraw/zinc/84/59/54/221845954.db2.gz JXPXOASVFIKFEL-UHFFFAOYSA-N 0 0 359.470 4.369 10 0 FIAERN Cc1ccccc1CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000095088155 221846721 /nfs/dbraw/zinc/84/67/21/221846721.db2.gz ANNKQXPIWJSVIW-IBGZPJMESA-N 0 0 374.525 4.379 10 0 FIAERN CCc1nc(NCCC(=O)N[C@H](C)CC)c2cc(Cl)cc(Cl)c2n1 ZINC000096292455 222112437 /nfs/dbraw/zinc/11/24/37/222112437.db2.gz GPSTYZPYYBEDKU-SNVBAGLBSA-N 0 0 369.296 4.216 10 0 FIAERN CCOC(=O)C1(Sc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000098090978 222228967 /nfs/dbraw/zinc/22/89/67/222228967.db2.gz WSSUWNXPMLUPEH-UHFFFAOYSA-N 0 0 365.495 4.112 10 0 FIAERN Cc1ccccc1[C@H]1CC(c2ccc(Br)s2)=Nc2ncnn21 ZINC000101089845 222262145 /nfs/dbraw/zinc/26/21/45/222262145.db2.gz BQRJMVPYZMAKHH-CYBMUJFWSA-N 0 0 373.279 4.467 10 0 FIAERN Cc1ccc(C)c(SC[C@H]2CSc3nnc(-c4cccnc4)n32)c1 ZINC000105965258 222379923 /nfs/dbraw/zinc/37/99/23/222379923.db2.gz IDEVVVRQHWAYSM-HNNXBMFYSA-N 0 0 354.504 4.396 10 0 FIAERN CSCc1ccc(C(=O)N2CCc3onc(-c4cccc(F)c4)c3C2)o1 ZINC000011956963 263369427 /nfs/dbraw/zinc/36/94/27/263369427.db2.gz RCYFRAGZWSEGHN-UHFFFAOYSA-N 0 0 372.421 4.135 10 0 FIAERN O=C(NC1(c2ccccc2)CC1)c1cc(Cc2ccccc2Cl)no1 ZINC000011971589 263369554 /nfs/dbraw/zinc/36/95/54/263369554.db2.gz QAWWCGIUFLEHKT-UHFFFAOYSA-N 0 0 352.821 4.338 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000128573949 568042003 /nfs/dbraw/zinc/04/20/03/568042003.db2.gz VTJCSWFDEHCRSB-MRXNPFEDSA-N 0 0 373.449 4.235 10 0 FIAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[C@H]4CCC[C@H]43)c12 ZINC000330265590 568047290 /nfs/dbraw/zinc/04/72/90/568047290.db2.gz ZLLRFHNUNWBKFL-CZUORRHYSA-N 0 0 366.490 4.020 10 0 FIAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[C@@H]4CCC[C@H]43)c12 ZINC000330265591 568047422 /nfs/dbraw/zinc/04/74/22/568047422.db2.gz ZLLRFHNUNWBKFL-XJKSGUPXSA-N 0 0 366.490 4.020 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[C@@H](C)c3ccccc31)C2 ZINC000153135720 568062578 /nfs/dbraw/zinc/06/25/78/568062578.db2.gz CGNAILDOQUNJDE-CRAIPNDOSA-N 0 0 366.509 4.250 10 0 FIAERN Cc1nc([C@@H]2CCCN2C(=O)c2[nH]c(-c3cccc(C)c3)nc2C)cs1 ZINC000330303351 568201688 /nfs/dbraw/zinc/20/16/88/568201688.db2.gz JWVDUHXOYBYNIF-KRWDZBQOSA-N 0 0 366.490 4.436 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000128731063 568222023 /nfs/dbraw/zinc/22/20/23/568222023.db2.gz FGWULMIEOWIVKS-IRXDYDNUSA-N 0 0 356.853 4.305 10 0 FIAERN Cc1cc([C@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)on1 ZINC000408292665 568345599 /nfs/dbraw/zinc/34/55/99/568345599.db2.gz UMMLHHIMENQAEG-HZPDHXFCSA-N 0 0 355.438 4.132 10 0 FIAERN O=C(Nc1ccc(COCC(F)(F)F)cc1)c1ccc2snnc2c1 ZINC000005152131 570591776 /nfs/dbraw/zinc/59/17/76/570591776.db2.gz RENSCUNHBRJPMD-UHFFFAOYSA-N 0 0 367.352 4.023 10 0 FIAERN CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1Cl ZINC000010475459 570701237 /nfs/dbraw/zinc/70/12/37/570701237.db2.gz IJYCEJJKZGXXCT-SFHVURJKSA-N 0 0 372.852 4.006 10 0 FIAERN CC(C)(C)c1csc(CN2[C@H](CO)CSC[C@H]2c2ccccc2)n1 ZINC000108138904 570903062 /nfs/dbraw/zinc/90/30/62/570903062.db2.gz YXXFVCXOUFLSIG-CVEARBPZSA-N 0 0 362.564 4.092 10 0 FIAERN COC(=O)c1c(C=O)c2ccc(C)cc2n1Cc1ccc(F)cc1Cl ZINC000032917073 571060325 /nfs/dbraw/zinc/06/03/25/571060325.db2.gz PEOBRZIDMSBCCF-UHFFFAOYSA-N 0 0 359.784 4.390 10 0 FIAERN COc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3c3cccc(F)c3)c2c1 ZINC000077458911 571212260 /nfs/dbraw/zinc/21/22/60/571212260.db2.gz WXODUJIXXVWGQS-SFHVURJKSA-N 0 0 353.397 4.078 10 0 FIAERN CCOC(=O)CCCCCCOc1cc2c(Cl)ncnc2cc1OC ZINC000085224365 571233440 /nfs/dbraw/zinc/23/34/40/571233440.db2.gz XPYIGLNPWGXMJX-UHFFFAOYSA-N 0 0 366.845 4.184 10 0 FIAERN CCOC(=O)c1c(C)c(C(=O)COc2ccc(C(C)C)cc2)c(C)n1C ZINC000006740149 571244421 /nfs/dbraw/zinc/24/44/21/571244421.db2.gz IIGGMGKLELNJNZ-UHFFFAOYSA-N 0 0 357.450 4.204 10 0 FIAERN C=C1C(NC[C@@H](C)c2ccccc2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000006797287 571246901 /nfs/dbraw/zinc/24/69/01/571246901.db2.gz OZFZQQZTBCEIQP-CYBMUJFWSA-N 0 0 374.893 4.206 10 0 FIAERN Cc1ccc(-c2c(I)[nH]nc2C(F)(F)F)cc1 ZINC000675076848 571272771 /nfs/dbraw/zinc/27/27/71/571272771.db2.gz SPKHHZPCEAEXQW-UHFFFAOYSA-N 0 0 352.097 4.009 10 0 FIAERN c1cc2cc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)ccc2[nH]1 ZINC000049089262 581092084 /nfs/dbraw/zinc/09/20/84/581092084.db2.gz DRAMIPAVQGEJMC-UHFFFAOYSA-N 0 0 371.444 4.205 10 0 FIAERN O=[S@](Cc1noc(-c2ccsc2)n1)c1nc(-c2ccccc2)cs1 ZINC000107984480 1079585332 /nfs/dbraw/zinc/58/53/32/1079585332.db2.gz PYEIPBKHVLBBQZ-DEOSSOPVSA-N 0 0 373.484 4.229 10 0 FIAERN Cc1cc(C(C)C)nc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)n1 ZINC000186861588 1079725912 /nfs/dbraw/zinc/72/59/12/1079725912.db2.gz PQLQWATZLAJGFX-INIZCTEOSA-N 0 0 371.529 4.077 10 0 FIAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)C2)c1 ZINC000111803816 1079899548 /nfs/dbraw/zinc/89/95/48/1079899548.db2.gz ROSQVKZWXXLZHQ-RBUKOAKNSA-N 0 0 372.900 4.343 10 0 FIAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895123 1081442418 /nfs/dbraw/zinc/44/24/18/1081442418.db2.gz XOCCMEAQWIKFMN-ZDUSSCGKSA-N 0 0 358.492 4.271 10 0 FIAERN O=C(CCC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccc2c(c1)CCCC2 ZINC000113898204 1081443369 /nfs/dbraw/zinc/44/33/69/1081443369.db2.gz SMBZFQILBAPQOS-FQEVSTJZSA-N 0 0 365.477 4.005 10 0 FIAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)CCC3CCCCC3)C2)no1 ZINC000115848323 1081795614 /nfs/dbraw/zinc/79/56/14/1081795614.db2.gz UIYHCZUQBAIEEJ-MAUKXSAKSA-N 0 0 362.518 4.091 10 0 FIAERN C[C@@H]1CC(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)C[C@@H](C)O1 ZINC000094073710 1082964511 /nfs/dbraw/zinc/96/45/11/1082964511.db2.gz ADTOFZKFCYKJQW-HZPDHXFCSA-N 0 0 373.497 4.237 10 0 FIAERN Cc1ccn(-c2ccccc2NC(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000151186425 1083968024 /nfs/dbraw/zinc/96/80/24/1083968024.db2.gz UMUWXXACPUNRMQ-OAHLLOKOSA-N 0 0 367.478 4.049 10 0 FIAERN Cc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151741064 1084200095 /nfs/dbraw/zinc/20/00/95/1084200095.db2.gz JNSIFMNGRLUKCK-UHFFFAOYSA-N 0 0 365.477 4.004 10 0 FIAERN CC[C@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccs1 ZINC000152046750 1084532163 /nfs/dbraw/zinc/53/21/63/1084532163.db2.gz YVWJTMVFFIZGQF-QAPCUYQASA-N 0 0 372.538 4.119 10 0 FIAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000332772991 1084837626 /nfs/dbraw/zinc/83/76/26/1084837626.db2.gz WQZFHQJVRDXJLS-DOADOZAASA-N 0 0 359.514 4.017 10 0 FIAERN CCC[C@@H](NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)C1CCCCC1 ZINC000332784000 1084855174 /nfs/dbraw/zinc/85/51/74/1084855174.db2.gz MTYUYIXTRLSBAY-FUHWJXTLSA-N 0 0 362.518 4.091 10 0 FIAERN C[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2ccnn2C)c2ccccc21 ZINC000332822612 1084889065 /nfs/dbraw/zinc/88/90/65/1084889065.db2.gz DIKRXTGFRZQDAP-ZTNFWEORSA-N 0 0 352.482 4.295 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000408120536 1085175352 /nfs/dbraw/zinc/17/53/52/1085175352.db2.gz HOHLNNQMBOGZPE-VIBAHUMZSA-N 0 0 350.890 4.126 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1cccc(Cl)c1 ZINC000408122693 1085182065 /nfs/dbraw/zinc/18/20/65/1085182065.db2.gz YZWKNSRDNNVYMS-UUKVCBHOSA-N 0 0 364.917 4.372 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccc(Cl)s1 ZINC000408126906 1085205845 /nfs/dbraw/zinc/20/58/45/1085205845.db2.gz BVVHEUBRRIAYFW-REWJHTLYSA-N 0 0 356.919 4.188 10 0 FIAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408128944 1085208580 /nfs/dbraw/zinc/20/85/80/1085208580.db2.gz MGLLIYKSXPNVQK-WJFTUGDTSA-N 0 0 362.901 4.052 10 0 FIAERN CC1(C)C[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c2ccc(F)cc2O1 ZINC000408148805 1085253320 /nfs/dbraw/zinc/25/33/20/1085253320.db2.gz IGWMOWNWKRKDLT-IRXDYDNUSA-N 0 0 372.444 4.088 10 0 FIAERN C[C@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC(C)(C)C1 ZINC000408158186 1085352254 /nfs/dbraw/zinc/35/22/54/1085352254.db2.gz JTTOPKSEUSPSJL-DOTOQJQBSA-N 0 0 372.509 4.032 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(N4CCCC4)cc3C)CCO2)o1 ZINC000153083690 1085440213 /nfs/dbraw/zinc/44/02/13/1085440213.db2.gz NYEWZKAWCPDDLF-FQEVSTJZSA-N 0 0 369.465 4.102 10 0 FIAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cc1F ZINC000408183631 1085688650 /nfs/dbraw/zinc/68/86/50/1085688650.db2.gz SUBWUKDWJYTVNM-TVZXOTKDSA-N 0 0 362.489 4.166 10 0 FIAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(OC(C)C)cc3F)CCO2)o1 ZINC000153803420 1086165275 /nfs/dbraw/zinc/16/52/75/1086165275.db2.gz GSWIGYDFFXFIES-SFHVURJKSA-N 0 0 362.401 4.120 10 0 FIAERN CN(C)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1Cl ZINC000153858470 1086199531 /nfs/dbraw/zinc/19/95/31/1086199531.db2.gz NKBNDKJEJBHFBI-LBPRGKRZSA-N 0 0 364.902 4.274 10 0 FIAERN CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1Cl ZINC000153858573 1086199552 /nfs/dbraw/zinc/19/95/52/1086199552.db2.gz NKBNDKJEJBHFBI-GFCCVEGCSA-N 0 0 364.902 4.274 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3c(C)cccc3OC(F)F)CCO2)o1 ZINC000153939484 1086250956 /nfs/dbraw/zinc/25/09/56/1086250956.db2.gz PSSFYRXGCPQOLS-OAHLLOKOSA-N 0 0 366.364 4.103 10 0 FIAERN O[C@@H](c1nccn1Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000154848762 1086441053 /nfs/dbraw/zinc/44/10/53/1086441053.db2.gz BMOVZKJLHKFHRU-LJQANCHMSA-N 0 0 365.820 4.322 10 0 FIAERN Cc1nc([C@@H](NC(=O)CCCSC(C)(C)C)c2ccccc2F)no1 ZINC000154909079 1086451210 /nfs/dbraw/zinc/45/12/10/1086451210.db2.gz GZDMTTDBZXIYGI-INIZCTEOSA-N 0 0 365.474 4.035 10 0 FIAERN C[C@H](c1ccccc1F)N(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155448163 1086519810 /nfs/dbraw/zinc/51/98/10/1086519810.db2.gz CIFKLSRXTNPFEP-CQSZACIVSA-N 0 0 361.486 4.259 10 0 FIAERN C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000156716379 1086751010 /nfs/dbraw/zinc/75/10/10/1086751010.db2.gz BSLDZUBFZICZHY-UKRRQHHQSA-N 0 0 369.502 4.013 10 0 FIAERN CC(=O)Nc1ccc([S@@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000157008258 1086823496 /nfs/dbraw/zinc/82/34/96/1086823496.db2.gz QZXUYEDFTRIZGN-ZJWNCGCPSA-N 0 0 354.431 4.169 10 0 FIAERN Cc1c(C(=O)N2CCCC[C@H]2c2nccs2)cnn1-c1cccc(C)c1 ZINC000329456263 1086974623 /nfs/dbraw/zinc/97/46/23/1086974623.db2.gz NGIDQNZTXNPEOK-SFHVURJKSA-N 0 0 366.490 4.313 10 0 FIAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3CCSc4ccccc43)C2)no1 ZINC000329704913 1087210302 /nfs/dbraw/zinc/21/03/02/1087210302.db2.gz JBORTRWMXMDTFZ-GDBMZVCRSA-N 0 0 371.506 4.179 10 0 FIAERN CC1(C)C[C@H](NC(=O)NCc2nc(C3CC3)cs2)c2ccccc2O1 ZINC000152724581 1087325750 /nfs/dbraw/zinc/32/57/50/1087325750.db2.gz PPYOTKXZAMDINB-AWEZNQCLSA-N 0 0 357.479 4.122 10 0 FIAERN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[C@@H]4C3)c12 ZINC000152733518 1087351558 /nfs/dbraw/zinc/35/15/58/1087351558.db2.gz GIBGLYDYADZXME-HZPDHXFCSA-N 0 0 366.509 4.244 10 0 FIAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000246890983 1087609449 /nfs/dbraw/zinc/60/94/49/1087609449.db2.gz DTGCCUOMLARASU-ZJNRKIDTSA-N 0 0 371.308 4.391 10 0 FIAERN C[C@@H](NC(=O)N[C@H]1CCCC12CCOCC2)c1ccc(F)c(Cl)c1 ZINC000407956070 1088449882 /nfs/dbraw/zinc/44/98/82/1088449882.db2.gz LEAATBBJBXZOFI-WBMJQRKESA-N 0 0 354.853 4.189 10 0 FIAERN C[C@H]1CC(C(=O)Nc2ccc(Br)c3cccnc23)C[C@H](C)O1 ZINC000407978623 1088590881 /nfs/dbraw/zinc/59/08/81/1088590881.db2.gz BSGIYRZDIPUJLM-QWRGUYRKSA-N 0 0 363.255 4.139 10 0 FIAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179649300 1088760309 /nfs/dbraw/zinc/76/03/09/1088760309.db2.gz QXSHQSZSWPTPOX-ROUUACIJSA-N 0 0 356.445 4.090 10 0 FIAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179649315 1088762083 /nfs/dbraw/zinc/76/20/83/1088762083.db2.gz QXSHQSZSWPTPOX-ZWKOTPCHSA-N 0 0 356.445 4.090 10 0 FIAERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)CCO1 ZINC000408027787 1088898599 /nfs/dbraw/zinc/89/85/99/1088898599.db2.gz MPJZRLGARKLOGL-HOAMVYINSA-N 0 0 350.425 4.000 10 0 FIAERN C[C@@H]1C[C@H](c2cccs2)CN1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377805662 1089826759 /nfs/dbraw/zinc/82/67/59/1089826759.db2.gz WRHWUZZQIYLBTL-KGLIPLIRSA-N 0 0 371.462 4.115 10 0 FIAERN Cc1nc(CC(C)C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)s1 ZINC000408066049 1090303719 /nfs/dbraw/zinc/30/37/19/1090303719.db2.gz TVHXCACCTCHIFQ-VPWXQRGCSA-N 0 0 364.555 4.196 10 0 FIAERN Cc1nc(CC(C)C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)s1 ZINC000408066051 1090304022 /nfs/dbraw/zinc/30/40/22/1090304022.db2.gz TVHXCACCTCHIFQ-XAUMDUMWSA-N 0 0 364.555 4.196 10 0 FIAERN CC(C)c1nc(C2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)no1 ZINC000408078765 1090386441 /nfs/dbraw/zinc/38/64/41/1090386441.db2.gz DVIYEYHWYTZUHH-ZDUSSCGKSA-N 0 0 373.522 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220831904 /nfs/dbraw/zinc/83/19/04/220831904.db2.gz PFQQNLHDNYZUAK-UHFFFAOYSA-N 0 0 366.198 4.309 10 0 FIAERN Cc1c(Cl)cccc1NC(=O)c1cn(C)c2c(Cl)cccc2c1=O ZINC000039962963 220867124 /nfs/dbraw/zinc/86/71/24/220867124.db2.gz ZYPVHMYMIOWONH-UHFFFAOYSA-N 0 0 361.228 4.406 10 0 FIAERN CC(C)(C)c1cc(=O)c2c(Br)ccc(Br)c2[nH]1 ZINC000042582181 220940199 /nfs/dbraw/zinc/94/01/99/220940199.db2.gz ZWBLJHQXTKKNEX-UHFFFAOYSA-N 0 0 359.061 4.351 10 0 FIAERN CCCOc1ccc(C(=O)Nc2nonc2-c2cc(C)ccc2C)cc1 ZINC000047133358 220987973 /nfs/dbraw/zinc/98/79/73/220987973.db2.gz CXPWQURBDKVOTK-UHFFFAOYSA-N 0 0 351.406 4.395 10 0 FIAERN CCn1c(=O)c2ccccc2nc1/C=C\c1cc(Br)ccc1O ZINC000048307254 221006420 /nfs/dbraw/zinc/00/64/20/221006420.db2.gz KQAOKFBKVJSZRN-YFHOEESVSA-N 0 0 371.234 4.055 10 0 FIAERN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccc1OCC ZINC000054618116 221054125 /nfs/dbraw/zinc/05/41/25/221054125.db2.gz DBISJVSOAKXNTM-UHFFFAOYSA-N 0 0 371.433 4.118 10 0 FIAERN OCc1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000062703370 221140167 /nfs/dbraw/zinc/14/01/67/221140167.db2.gz UETJJFUORMIUTK-UHFFFAOYSA-N 0 0 372.056 4.283 10 0 FIAERN CN(C(=O)c1cc2c(c3ccccc3oc2=O)n1C)c1ccccc1Cl ZINC000064838897 221153825 /nfs/dbraw/zinc/15/38/25/221153825.db2.gz ILZGFXBCUCCIBW-UHFFFAOYSA-N 0 0 366.804 4.215 10 0 FIAERN Cc1ccc2cccc(NCc3ccc(I)o3)c2n1 ZINC000061874974 221135465 /nfs/dbraw/zinc/13/54/65/221135465.db2.gz LBSJEAAHABDULA-UHFFFAOYSA-N 0 0 364.186 4.353 10 0 FIAERN CCc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(Br)c1 ZINC000065000327 221163219 /nfs/dbraw/zinc/16/32/19/221163219.db2.gz WDHISBUSBSDSOK-UHFFFAOYSA-N 0 0 364.239 4.281 10 0 FIAERN COc1ccc(NC(=O)c2ccc(-c3cnc(N4CCCC4)nc3)cc2)cc1 ZINC000065025472 221163863 /nfs/dbraw/zinc/16/38/63/221163863.db2.gz ZJLXYMYZIAOXDH-UHFFFAOYSA-N 0 0 374.444 4.005 10 0 FIAERN CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCCCC3)CCCCC2)cc1 ZINC000065027508 221165354 /nfs/dbraw/zinc/16/53/54/221165354.db2.gz FFPUDACOCUKIQH-UHFFFAOYSA-N 0 0 356.510 4.496 10 0 FIAERN CC(C)(C)C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2 ZINC000065082418 221167427 /nfs/dbraw/zinc/16/74/27/221167427.db2.gz NSKKESSNZYVADT-MRXNPFEDSA-N 0 0 372.509 4.061 10 0 FIAERN C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1cccc(C(F)(F)F)c1 ZINC000066298473 221244028 /nfs/dbraw/zinc/24/40/28/221244028.db2.gz URFVVBGINUEDQV-JPQMIFPKSA-N 0 0 373.371 4.120 10 0 FIAERN CC(C)n1ccnc1CN1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067725234 221278256 /nfs/dbraw/zinc/27/82/56/221278256.db2.gz AOMALROFKLIRIM-UHFFFAOYSA-N 0 0 367.472 4.373 10 0 FIAERN CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C2 ZINC000067983140 221311937 /nfs/dbraw/zinc/31/19/37/221311937.db2.gz WCXTZUDNAISXFF-UHFFFAOYSA-N 0 0 364.276 4.067 10 0 FIAERN CCOc1ccc(-c2nnc3n2N[C@@H](/C=C/c2ccccc2)S3)cc1 ZINC000068572115 221316234 /nfs/dbraw/zinc/31/62/34/221316234.db2.gz NVPBDTXWXKSCKX-MSGBMKDASA-N 0 0 350.447 4.033 10 0 FIAERN CCC(CC)NC(=O)c1cc(Br)c(Br)s1 ZINC000068817446 221318426 /nfs/dbraw/zinc/31/84/26/221318426.db2.gz KNIDZAZZSODHGB-UHFFFAOYSA-N 0 0 355.095 4.192 10 0 FIAERN OCc1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1 ZINC000070457295 221332421 /nfs/dbraw/zinc/33/24/21/221332421.db2.gz PVBUSASDXXXJRR-UHFFFAOYSA-N 0 0 353.731 4.099 10 0 FIAERN COc1ccc(CNc2ccc(I)cc2C)cc1F ZINC000070138656 221331867 /nfs/dbraw/zinc/33/18/67/221331867.db2.gz ZBZCTTHYOMNSPE-UHFFFAOYSA-N 0 0 371.193 4.359 10 0 FIAERN O=C1C[C@@H](c2ccccc2)N(c2cccc(C(F)(F)F)c2)C(=S)N1 ZINC000001042357 132379699 /nfs/dbraw/zinc/37/96/99/132379699.db2.gz RKMXSXWZBZNLPE-AWEZNQCLSA-N 0 0 350.365 4.058 10 0 FIAERN Nc1ccc2c(c1)N(Cc1ccc(Br)cc1F)CCS2 ZINC000038051419 136118562 /nfs/dbraw/zinc/11/85/62/136118562.db2.gz BKOGDEKHPDKGAA-UHFFFAOYSA-N 0 0 353.260 4.283 10 0 FIAERN CCCCCN1CN(c2cccc(C)c2C)c2nc(C)c(CC)c(=O)n2C1 ZINC000072443001 136147910 /nfs/dbraw/zinc/14/79/10/136147910.db2.gz YGHNFSPDGDBDBO-UHFFFAOYSA-N 0 0 368.525 4.290 10 0 FIAERN CCSc1nc2nccc(-c3ccc(OCc4ccccc4)cc3)n2n1 ZINC000072439832 221530257 /nfs/dbraw/zinc/53/02/57/221530257.db2.gz GESRUXSDHRNZDR-UHFFFAOYSA-N 0 0 362.458 4.482 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2cnc3ccccc3n2)C1 ZINC000095085055 221845696 /nfs/dbraw/zinc/84/56/96/221845696.db2.gz QFOUBJPISVBWCI-INIZCTEOSA-N 0 0 371.481 4.436 10 0 FIAERN Cc1cc(OCCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc(Cl)n1 ZINC000095089971 221848441 /nfs/dbraw/zinc/84/84/41/221848441.db2.gz PLICWNDVEDSYSV-CQSZACIVSA-N 0 0 369.893 4.245 10 0 FIAERN COc1ccc(C[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC ZINC000102189850 222290702 /nfs/dbraw/zinc/29/07/02/222290702.db2.gz ITXTZJSELNILSN-LSDHHAIUSA-N 0 0 374.477 4.484 10 0 biogenic FIAERN Nc1c(-c2ccccc2Br)nc2ccc(Br)cn12 ZINC000104347235 222355796 /nfs/dbraw/zinc/35/57/96/222355796.db2.gz YJDGSLKPDJUAFH-UHFFFAOYSA-N 0 0 367.044 4.109 10 0 FIAERN CCc1c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cnn1-c1ccc(F)cc1 ZINC000105924695 222378863 /nfs/dbraw/zinc/37/88/63/222378863.db2.gz UJOGGIJZKSGUFU-QRWLVFNGSA-N 0 0 355.457 4.369 10 0 FIAERN Cc1c(C(=O)N[C@H](C)c2ccc3ccccc3c2)nnn1-c1ccc(F)cc1 ZINC000105933689 222378917 /nfs/dbraw/zinc/37/89/17/222378917.db2.gz OUDANSDDUKYJDU-CQSZACIVSA-N 0 0 374.419 4.359 10 0 FIAERN COc1ccc(OC)c(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)c1 ZINC000105968269 222379074 /nfs/dbraw/zinc/37/90/74/222379074.db2.gz VQDRFIMTHBHLSR-UHFFFAOYSA-N 0 0 368.458 4.317 10 0 FIAERN COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC ZINC000105921689 222379626 /nfs/dbraw/zinc/37/96/26/222379626.db2.gz AVCAFQYPYMPEDO-QWHCGFSZSA-N 0 0 359.491 4.381 10 0 FIAERN CC(C)(C)C1CCC(OC(=O)CCc2nc(-c3cccnc3)no2)CC1 ZINC000106036153 222380773 /nfs/dbraw/zinc/38/07/73/222380773.db2.gz WAFRNCUTEOYUGY-UHFFFAOYSA-N 0 0 357.454 4.212 10 0 FIAERN Cc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)cc1 ZINC000005617751 263342253 /nfs/dbraw/zinc/34/22/53/263342253.db2.gz ZVXADTWHHRQIMD-NRFANRHFSA-N 0 0 368.502 4.420 10 0 FIAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cccc(Br)c3)n2)cc1 ZINC000057341507 263412124 /nfs/dbraw/zinc/41/21/24/263412124.db2.gz DWVGSWIRSOXPAU-UHFFFAOYSA-N 0 0 356.223 4.251 10 0 FIAERN CCOC(=O)C[C@@](c1ccccc1)(N1CCCC1)C(F)(F)C(F)(F)F ZINC000390824782 520861438 /nfs/dbraw/zinc/86/14/38/520861438.db2.gz QITFAHSRLNNPFH-HNNXBMFYSA-N 0 0 365.342 4.129 10 0 FIAERN Cc1ccc(C)c(NC(=S)N(Cc2cccnc2)Cc2cccnc2)c1 ZINC000020357231 524157962 /nfs/dbraw/zinc/15/79/62/524157962.db2.gz HQGDOHQWLJOVCI-UHFFFAOYSA-N 0 0 362.502 4.493 10 0 FIAERN CCO[C@@H](c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)c1ccccc1 ZINC000299749616 527737460 /nfs/dbraw/zinc/73/74/60/527737460.db2.gz LAFXTQZREXFDAS-IPMKNSEASA-N 0 0 350.418 4.441 10 0 FIAERN CCc1c(C)nc2n(c1=O)CN(C1CCCCC1)CN2c1cccc(C)c1 ZINC000072442677 536071569 /nfs/dbraw/zinc/07/15/69/536071569.db2.gz BISXQNMIOUGOAW-UHFFFAOYSA-N 0 0 366.509 4.124 10 0 FIAERN COC(=O)[C@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@@]21C ZINC000004802162 560200001 /nfs/dbraw/zinc/20/00/01/560200001.db2.gz RJVUHVSRJUDNRA-JQVVWYNYSA-N 0 0 354.446 4.476 10 0 in-vitro FIAERN COCC1=CCN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000185672014 567850617 /nfs/dbraw/zinc/85/06/17/567850617.db2.gz FRZLSBCAPQTVEO-XJKSGUPXSA-N 0 0 369.292 4.085 10 0 FIAERN C[C@@H](NC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccncc1 ZINC000161532711 567942481 /nfs/dbraw/zinc/94/24/81/567942481.db2.gz YQTJCNCUZSTKDY-CQSZACIVSA-N 0 0 359.857 4.049 10 0 FIAERN Cc1nnc([C@H](N[C@H](C)c2cccc(OC(F)F)c2)c2ccccc2)[nH]1 ZINC000162533910 568028613 /nfs/dbraw/zinc/02/86/13/568028613.db2.gz DDXPKEHRKXXYOT-SJKOYZFVSA-N 0 0 358.392 4.155 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 ZINC000128639959 568099889 /nfs/dbraw/zinc/09/98/89/568099889.db2.gz DWUSDFRICKDQCP-SFTDATJTSA-N 0 0 360.461 4.192 10 0 FIAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 ZINC000128640430 568100104 /nfs/dbraw/zinc/10/01/04/568100104.db2.gz DWUSDFRICKDQCP-LEWJYISDSA-N 0 0 360.461 4.192 10 0 FIAERN CCC[C@H](CC)NC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000124052751 568711851 /nfs/dbraw/zinc/71/18/51/568711851.db2.gz WJOYMMPSJJJRBH-HRCADAONSA-N 0 0 358.404 4.101 10 0 FIAERN Cc1ccccc1CN(C)CC(=O)N1CCS[C@@H]1c1ccccc1Cl ZINC000004880397 570553982 /nfs/dbraw/zinc/55/39/82/570553982.db2.gz NHUWPBHODGWISU-HXUWFJFHSA-N 0 0 374.937 4.354 10 0 FIAERN OCc1cnc(SCc2cc(F)cc(F)c2)n1CCc1ccccc1 ZINC000004382259 570766390 /nfs/dbraw/zinc/76/63/90/570766390.db2.gz HFQVXQCTLPLLOC-UHFFFAOYSA-N 0 0 360.429 4.189 10 0 FIAERN CC[C@@H](C(=O)N1CCC(CCOc2ccncc2)CC1)c1ccccc1 ZINC000065181029 570818031 /nfs/dbraw/zinc/81/80/31/570818031.db2.gz PYZJPZXYPRFECZ-OAQYLSRUSA-N 0 0 352.478 4.283 10 0 FIAERN COc1cccc(Oc2ccnc(-c3ccc(C(=O)NC(C)C)cc3)n2)c1 ZINC000033130389 571157504 /nfs/dbraw/zinc/15/75/04/571157504.db2.gz MHIWIMGQGSNFOW-UHFFFAOYSA-N 0 0 363.417 4.083 10 0 FIAERN CCN(C)C(=O)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711750 571164529 /nfs/dbraw/zinc/16/45/29/571164529.db2.gz UGYYEKLPAFWALR-UHFFFAOYSA-N 0 0 352.459 4.481 10 0 FIAERN Cc1ccccc1OCc1nc(CN(C(=O)NC(C)C)C(C)C)cs1 ZINC000036115240 571242669 /nfs/dbraw/zinc/24/26/69/571242669.db2.gz YRCGUNSNBONKES-UHFFFAOYSA-N 0 0 361.511 4.359 10 0 FIAERN Cc1nn(C(=O)CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc12 ZINC000006768719 571245731 /nfs/dbraw/zinc/24/57/31/571245731.db2.gz HTXLEKYNSJMLHW-RVKKMQEKSA-N 0 0 355.482 4.096 10 0 FIAERN Cc1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC000006900785 571253995 /nfs/dbraw/zinc/25/39/95/571253995.db2.gz OFNGLOFPFQLKTP-UHFFFAOYSA-N 0 0 360.392 4.049 10 0 FIAERN FC(F)c1n[nH]c(I)c1-c1cccc(Cl)c1 ZINC000675076578 571272568 /nfs/dbraw/zinc/27/25/68/571272568.db2.gz PDISDJHYHBPJNP-UHFFFAOYSA-N 0 0 354.525 4.272 10 0 FIAERN Cc1noc(C)c1CN1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000328605975 571323999 /nfs/dbraw/zinc/32/39/99/571323999.db2.gz PYMQYLJSWSRLHV-QGZVFWFLSA-N 0 0 356.401 4.208 10 0 FIAERN COc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116490516 1079525115 /nfs/dbraw/zinc/52/51/15/1079525115.db2.gz OIUBSDOBQXDJKH-CYBMUJFWSA-N 0 0 365.227 4.420 10 0 FIAERN Cc1cc(C(C)C)nc(N2CCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)n1 ZINC000186861608 1079726156 /nfs/dbraw/zinc/72/61/56/1079726156.db2.gz PQLQWATZLAJGFX-MRXNPFEDSA-N 0 0 371.529 4.077 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)C2)c1 ZINC000111803813 1079900192 /nfs/dbraw/zinc/90/01/92/1079900192.db2.gz ROSQVKZWXXLZHQ-RTBURBONSA-N 0 0 372.900 4.343 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 ZINC000111799210 1079900213 /nfs/dbraw/zinc/90/02/13/1079900213.db2.gz IDBXDJGIBCAEFJ-DYESRHJHSA-N 0 0 362.477 4.452 10 0 FIAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)s3)C2)c1 ZINC000111819751 1079901049 /nfs/dbraw/zinc/90/10/49/1079901049.db2.gz CPWGOYWCFULDJR-QWHCGFSZSA-N 0 0 352.891 4.014 10 0 FIAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246346601 1080904652 /nfs/dbraw/zinc/90/46/52/1080904652.db2.gz NPALRFQDOOPKCL-MDKPJZGXSA-N 0 0 374.550 4.054 10 0 FIAERN Cc1ccccc1-c1nc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000113890557 1081440514 /nfs/dbraw/zinc/44/05/14/1081440514.db2.gz YYLSNAQBADGAEG-QGZVFWFLSA-N 0 0 352.463 4.209 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CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000332768531 1084831944 /nfs/dbraw/zinc/83/19/44/1084831944.db2.gz KJJFDTWIOXSHKU-KWXDATOUSA-N 0 0 359.514 4.017 10 0 FIAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000127552206 1084941661 /nfs/dbraw/zinc/94/16/61/1084941661.db2.gz NPALRFQDOOPKCL-DJPFJPOOSA-N 0 0 374.550 4.054 10 0 FIAERN CC[C@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCCO1 ZINC000332874734 1084942188 /nfs/dbraw/zinc/94/21/88/1084942188.db2.gz CTWXFHBNBNJDKC-WMZOPIPTSA-N 0 0 358.482 4.034 10 0 FIAERN C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCO1 ZINC000332912209 1084993127 /nfs/dbraw/zinc/99/31/27/1084993127.db2.gz ZQCODYFCIJHMBK-AOIWGVFYSA-N 0 0 372.509 4.327 10 0 FIAERN C[C@@H]1CN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@@H]2CCCC[C@@H]21 ZINC000408176501 1085587521 /nfs/dbraw/zinc/58/75/21/1085587521.db2.gz GLIFFKVOBAUYEU-SUYBPPKGSA-N 0 0 363.889 4.084 10 0 FIAERN O=C(CCc1nc2ccccc2s1)NC1CCN(c2cccs2)CC1 ZINC000156035601 1086623934 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COc1cc(OC)cc(-c2onc(C)c2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000023306369 570480423 /nfs/dbraw/zinc/48/04/23/570480423.db2.gz FUTBYSVPPKUYIE-CYBMUJFWSA-N 0 0 366.417 4.158 10 0 FIAERN CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)C1CCCCC1 ZINC000034793772 570557396 /nfs/dbraw/zinc/55/73/96/570557396.db2.gz KLGKTAISCKZUOW-UHFFFAOYSA-N 0 0 357.454 4.175 10 0 FIAERN CCC1=Nc2cc(C(=O)NCCCOC)ccc2Sc2ccccc21 ZINC000004929450 570561445 /nfs/dbraw/zinc/56/14/45/570561445.db2.gz ZRKJHMIAOBXVIA-UHFFFAOYSA-N 0 0 354.475 4.448 10 0 FIAERN Cn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902144 570562407 /nfs/dbraw/zinc/56/24/07/570562407.db2.gz HIICZQRFSHYRDP-UHFFFAOYSA-N 0 0 365.452 4.454 10 0 FIAERN CC[C@H](COC)NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000014953099 570826979 /nfs/dbraw/zinc/82/69/79/570826979.db2.gz MQDYMUKWPUUHQT-MRXNPFEDSA-N 0 0 372.852 4.227 10 0 FIAERN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)cc1 ZINC000028617207 571033328 /nfs/dbraw/zinc/03/33/28/571033328.db2.gz 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FIAERN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC34CCC4)c12 ZINC000081415925 1081457924 /nfs/dbraw/zinc/45/79/24/1081457924.db2.gz RSDBXKNTONLNGD-UHFFFAOYSA-N 0 0 354.498 4.387 10 0 FIAERN CC[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246605623 1082960580 /nfs/dbraw/zinc/96/05/80/1082960580.db2.gz DGLGSWTXAHOECT-VDZJLULYSA-N 0 0 350.890 4.128 10 0 FIAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c(C)[nH]c2ccc(Cl)cc21 ZINC000126753186 1083000223 /nfs/dbraw/zinc/00/02/23/1083000223.db2.gz VUSFNGRPYBHHHU-QGZVFWFLSA-N 0 0 370.884 4.457 10 0 FIAERN COc1cc(F)c(C(=O)Nc2cnccc2-c2cccc(F)c2)cc1OC ZINC000151120164 1083962548 /nfs/dbraw/zinc/96/25/48/1083962548.db2.gz AESGIGFZMBVVDC-UHFFFAOYSA-N 0 0 370.355 4.296 10 0 FIAERN CC[C@H](NC(=O)NCc1nnc(-c2ccccc2)s1)c1cccs1 ZINC000151443905 1083975151 /nfs/dbraw/zinc/97/51/51/1083975151.db2.gz ORCORXMUKMCBLT-ZDUSSCGKSA-N 0 0 358.492 4.217 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)CCCc3nc4ccccc4s3)CCO2)o1 ZINC000151781139 1084247636 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4.050 10 0 FIAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccn(-c3ccccc3F)n2)n1 ZINC000329087747 1085268615 /nfs/dbraw/zinc/26/86/15/1085268615.db2.gz HNBAGSOJECJBLH-QGZVFWFLSA-N 0 0 370.453 4.144 10 0 FIAERN C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)CC(C)(C)C1 ZINC000408158191 1085352625 /nfs/dbraw/zinc/35/26/25/1085352625.db2.gz JTTOPKSEUSPSJL-WBVHZDCISA-N 0 0 372.509 4.032 10 0 FIAERN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cccn1C1CCCC1 ZINC000408173128 1085557962 /nfs/dbraw/zinc/55/79/62/1085557962.db2.gz GFAMJWAGBNNIAK-HNNXBMFYSA-N 0 0 367.497 4.069 10 0 FIAERN CC(C)(C)C1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000408180233 1085609387 /nfs/dbraw/zinc/60/93/87/1085609387.db2.gz OJXJIIMTRAPSLW-UHFFFAOYSA-N 0 0 357.498 4.213 10 0 FIAERN C[C@H]1SCCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H]1C ZINC000184372556 1086079874 /nfs/dbraw/zinc/07/98/74/1086079874.db2.gz WLKPAOSGWOKRPE-VHSXEESVSA-N 0 0 368.915 4.216 10 0 FIAERN CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000079548251 1086203096 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/nfs/dbraw/zinc/89/33/98/219893398.db2.gz VLZMWHYWPOPNGI-ZDUSSCGKSA-N 0 0 358.463 4.005 10 0 FIAERN CCC(=O)Oc1c(CC)s/c(=N\c2cccc(C)c2C)n1C(=O)CC ZINC000011638138 219924369 /nfs/dbraw/zinc/92/43/69/219924369.db2.gz PLGVDROLTQBURE-VXPUYCOJSA-N 0 0 360.479 4.327 10 0 FIAERN O=C(NCCc1ccccc1C(F)(F)F)c1cc(Cc2ccccc2)no1 ZINC000011880631 219939886 /nfs/dbraw/zinc/93/98/86/219939886.db2.gz VCLMXDLCUKFYET-UHFFFAOYSA-N 0 0 374.362 4.257 10 0 FIAERN CC[C@@H](C)OC(=O)[C@@H](C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O ZINC000012127207 219956720 /nfs/dbraw/zinc/95/67/20/219956720.db2.gz JNFYZXBKHPAAQI-CHWSQXEVSA-N 0 0 370.474 4.336 10 0 FIAERN O=C(NC1c2ccccc2-c2ccccc21)c1cn(CC2CCCCC2)nn1 ZINC000012431525 219993774 /nfs/dbraw/zinc/99/37/74/219993774.db2.gz ZWSAKELARYKDHY-UHFFFAOYSA-N 0 0 372.472 4.358 10 0 FIAERN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)cc1 ZINC000012576115 220009958 /nfs/dbraw/zinc/00/99/58/220009958.db2.gz SOBLXHCCAQACCB-MRXNPFEDSA-N 0 0 357.475 4.353 10 0 FIAERN Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000012744319 220023946 /nfs/dbraw/zinc/02/39/46/220023946.db2.gz PHQNGGHGLRDNTE-OAHLLOKOSA-N 0 0 366.392 4.010 10 0 FIAERN Cc1ccc(C)c(OCc2cc(C(=O)NCc3cc(F)cc(F)c3)no2)c1 ZINC000012836522 220034953 /nfs/dbraw/zinc/03/49/53/220034953.db2.gz AMWISECZRQJORU-UHFFFAOYSA-N 0 0 372.371 4.079 10 0 FIAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000013620551 220079595 /nfs/dbraw/zinc/07/95/95/220079595.db2.gz SMFGUQUPQBRRNB-NTCAYCPXSA-N 0 0 366.461 4.266 10 0 FIAERN N=C1S/C(=C\c2cccnc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054060 220142399 /nfs/dbraw/zinc/14/23/99/220142399.db2.gz AWOVTASMCUAZJG-OLOZMRLWSA-N 0 0 350.230 4.444 10 0 FIAERN O=C(C[C@@H](c1cccc(Cl)c1)c1ccccc1O)NCC(F)(F)F ZINC000014975209 220138748 /nfs/dbraw/zinc/13/87/48/220138748.db2.gz JRYPTQUKGWSGRC-AWEZNQCLSA-N 0 0 357.759 4.246 10 0 FIAERN Cc1nn(C)cc1CN1CCOc2ccc(C3=Cc4ccccc4C3)cc2C1 ZINC000014987660 220140793 /nfs/dbraw/zinc/14/07/93/220140793.db2.gz CUDVSXIZBGLXMS-UHFFFAOYSA-N 0 0 371.484 4.220 10 0 FIAERN COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000015331766 220152853 /nfs/dbraw/zinc/15/28/53/220152853.db2.gz QXALAGQPLWRVLE-NSHDSACASA-N 0 0 374.289 4.350 10 0 FIAERN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000016087451 220177194 /nfs/dbraw/zinc/17/71/94/220177194.db2.gz VJPKBYGDDLMGSY-CYBMUJFWSA-N 0 0 368.296 4.105 10 0 FIAERN O=C([O-])[C@H]1Cc2ccc(Cl)cc2C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000016082849 220177221 /nfs/dbraw/zinc/17/72/21/220177221.db2.gz HAKUNHZMPUMDOP-MRXNPFEDSA-N 0 0 369.770 4.370 10 0 FIAERN CCCCCNC(=O)c1cc(Br)c(Br)s1 ZINC000017322175 220214108 /nfs/dbraw/zinc/21/41/08/220214108.db2.gz VRFZGRUBXSCJOL-UHFFFAOYSA-N 0 0 355.095 4.193 10 0 FIAERN O=C1O[C@@](c2cccc(Cl)c2)(c2ccc(O)cc2O)c2ccccc21 ZINC000017302306 220211014 /nfs/dbraw/zinc/21/10/14/220211014.db2.gz MGYDDOAZLZWSLA-HXUWFJFHSA-N 0 0 352.773 4.214 10 0 FIAERN COc1ccc([C@H](C)Nc2ccc(I)cc2)cc1 ZINC000020477668 220328360 /nfs/dbraw/zinc/32/83/60/220328360.db2.gz UGUVDOIYUHHTQP-NSHDSACASA-N 0 0 353.203 4.473 10 0 FIAERN Cc1cccc(C(=O)NCCc2nc3cccnc3n2C2CCCCC2)c1 ZINC000021155602 220353164 /nfs/dbraw/zinc/35/31/64/220353164.db2.gz QGJOBZDBNOZVNX-UHFFFAOYSA-N 0 0 362.477 4.217 10 0 FIAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(O)c1 ZINC000021025791 220349415 /nfs/dbraw/zinc/34/94/15/220349415.db2.gz UPEOELHADZRNGZ-RMKNXTFCSA-N 0 0 362.223 4.205 10 0 FIAERN CCCCOc1c(Cl)cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1OCC ZINC000027860211 220548681 /nfs/dbraw/zinc/54/86/81/220548681.db2.gz MGSYRKHWCKQVKB-XJKSGUPXSA-N 0 0 369.889 4.215 10 0 FIAERN CC[C@H](C)NC(=O)c1cc(-c2ccccc2F)n2nc(C(C)(C)C)cc2n1 ZINC000034832386 220765250 /nfs/dbraw/zinc/76/52/50/220765250.db2.gz CSIJFCHMQBYQDI-ZDUSSCGKSA-N 0 0 368.456 4.361 10 0 FIAERN Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1cccc(Cl)c1C ZINC000036639102 220824440 /nfs/dbraw/zinc/82/44/40/220824440.db2.gz AQQYOOYOGHQKLJ-UHFFFAOYSA-N 0 0 362.216 4.410 10 0 FIAERN CCOCc1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000037844183 220842065 /nfs/dbraw/zinc/84/20/65/220842065.db2.gz WOKOBTARBHRRIH-UHFFFAOYSA-N 0 0 352.203 4.377 10 0 FIAERN CCCC(=O)NCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000040189185 220895293 /nfs/dbraw/zinc/89/52/93/220895293.db2.gz LGHKUZVDMXWHHE-UHFFFAOYSA-N 0 0 365.477 4.148 10 0 FIAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000040190241 220895985 /nfs/dbraw/zinc/89/59/85/220895985.db2.gz VDAOVRPUIIVVRE-UHFFFAOYSA-N 0 0 355.869 4.400 10 0 FIAERN CC1CCN(C(=O)Cn2c(/C=C/c3ccccc3)nc3ccccc32)CC1 ZINC000040238406 220896740 /nfs/dbraw/zinc/89/67/40/220896740.db2.gz DWLYELFXTBFELX-VAWYXSNFSA-N 0 0 359.473 4.465 10 0 FIAERN CC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 ZINC000040435164 220907690 /nfs/dbraw/zinc/90/76/90/220907690.db2.gz MASSZLJJTTUQGK-UHFFFAOYSA-N 0 0 360.413 4.424 10 0 FIAERN CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359646 220901284 /nfs/dbraw/zinc/90/12/84/220901284.db2.gz QMLVQTZTAQDEPZ-UHFFFAOYSA-N 0 0 370.836 4.244 10 0 FIAERN Cc1cc(OCC(=O)N2CCC(C)CC2)c(Br)c(C)c1Cl ZINC000040942283 220924694 /nfs/dbraw/zinc/92/46/94/220924694.db2.gz SNONWJZMLVECRR-UHFFFAOYSA-N 0 0 374.706 4.357 10 0 FIAERN Cc1cc(Cl)ccc1NC(=O)c1cn(C)c2ccc(Cl)cc2c1=O ZINC000041056718 220927622 /nfs/dbraw/zinc/92/76/22/220927622.db2.gz KPTFUTWHDCVXHK-UHFFFAOYSA-N 0 0 361.228 4.406 10 0 FIAERN O=C([O-])C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049453644 221022737 /nfs/dbraw/zinc/02/27/37/221022737.db2.gz GVUJQXFVIZPHHI-UHFFFAOYSA-N 0 0 366.436 4.125 10 0 FIAERN COc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1C ZINC000050045682 221030311 /nfs/dbraw/zinc/03/03/11/221030311.db2.gz IBSUQHYDNSSVGV-UHFFFAOYSA-N 0 0 355.619 4.067 10 0 FIAERN Cc1nn(Cc2cc(Br)cs2)c(C)c1Br ZINC000050594001 221032727 /nfs/dbraw/zinc/03/27/27/221032727.db2.gz MKTAIWQELFGXBA-UHFFFAOYSA-N 0 0 350.079 4.135 10 0 FIAERN CC(=O)S[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000049036890 221018053 /nfs/dbraw/zinc/01/80/53/221018053.db2.gz SSONTNYBPYRIPQ-SNVBAGLBSA-N 0 0 361.077 4.046 10 0 FIAERN CCOC(=O)c1cnc2cc(OCC)c(OCC)cc2c1N(CC)CC ZINC000053994678 221049280 /nfs/dbraw/zinc/04/92/80/221049280.db2.gz VAMRWMLKXQACCD-UHFFFAOYSA-N 0 0 360.454 4.055 10 0 FIAERN CC(=O)Nc1c(N)n(-c2ccccc2)nc1Sc1ccc(Cl)cc1 ZINC000053994232 221049998 /nfs/dbraw/zinc/04/99/98/221049998.db2.gz RYABQFLNFJWWBS-UHFFFAOYSA-N 0 0 358.854 4.218 10 0 FIAERN CCCCOc1ccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)cc1 ZINC000054618269 221054061 /nfs/dbraw/zinc/05/40/61/221054061.db2.gz ZEULLNUQDWUMGK-UHFFFAOYSA-N 0 0 371.433 4.118 10 0 FIAERN C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)c(Cl)c1 ZINC000055745463 221073751 /nfs/dbraw/zinc/07/37/51/221073751.db2.gz NNGYZNDMSSQWDU-LBPRGKRZSA-N 0 0 360.816 4.097 10 0 FIAERN CCc1cccc(C)c1NC(=O)N1CCCN(c2nc(C)cs2)CC1 ZINC000056520658 221081074 /nfs/dbraw/zinc/08/10/74/221081074.db2.gz ORRCBHBWCHOELU-UHFFFAOYSA-N 0 0 358.511 4.067 10 0 FIAERN Cc1cc(Sc2ccc3nc(N)nc(N)c3c2)ccc1Br ZINC000059720570 221126940 /nfs/dbraw/zinc/12/69/40/221126940.db2.gz PNVXAJMPBXKREK-UHFFFAOYSA-N 0 0 361.268 4.016 10 0 FIAERN CC[C@H](C(=O)N1CC(OCc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000064666067 221149613 /nfs/dbraw/zinc/14/96/13/221149613.db2.gz BZXIHKKAVMDQFS-SFHVURJKSA-N 0 0 361.844 4.400 10 0 FIAERN O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCCCCC1 ZINC000064919339 221155654 /nfs/dbraw/zinc/15/56/54/221155654.db2.gz RUXVUUNKSWZZEG-UHFFFAOYSA-N 0 0 364.424 4.090 10 0 FIAERN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 ZINC000065148000 221171703 /nfs/dbraw/zinc/17/17/03/221171703.db2.gz FBMUGSXBFGWDCU-SFHVURJKSA-N 0 0 364.493 4.425 10 0 FIAERN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000070135721 221331230 /nfs/dbraw/zinc/33/12/30/221331230.db2.gz UKKIAINTSPBAGR-JTQLQIEISA-N 0 0 368.724 4.206 10 0 FIAERN Cc1cc(Br)c(NC(=O)c2ccco2)c(Br)c1 ZINC000070236844 221331540 /nfs/dbraw/zinc/33/15/40/221331540.db2.gz DZROOMRXHPSGAO-UHFFFAOYSA-N 0 0 359.017 4.365 10 0 FIAERN CC1CCN(c2ncnc(Nc3ccccc3C(F)(F)F)c2N)CC1 ZINC000040701732 136119794 /nfs/dbraw/zinc/11/97/94/136119794.db2.gz VDOCQPSLAYFMLJ-UHFFFAOYSA-N 0 0 351.376 4.058 10 0 FIAERN Cc1c(Cl)cccc1Nc1ncnc(N2CCc3ccccc3C2)c1N ZINC000040701568 136119861 /nfs/dbraw/zinc/11/98/61/136119861.db2.gz NDSDZPPZVNZDFG-UHFFFAOYSA-N 0 0 365.868 4.327 10 0 FIAERN CC1CCN(c2ncnc(NC(c3ccccc3)c3ccccc3)c2N)CC1 ZINC000040732938 136120276 /nfs/dbraw/zinc/12/02/76/136120276.db2.gz LWCGUTVJOAFEDE-UHFFFAOYSA-N 0 0 373.504 4.497 10 0 FIAERN CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 ZINC000056736019 136127802 /nfs/dbraw/zinc/12/78/02/136127802.db2.gz VHYJHNKYBUDFNN-OAHLLOKOSA-N 0 0 373.497 4.112 10 0 FIAERN O=C(CCc1ccccc1)Nc1ccc2ncnc(N3CCCCC3)c2c1 ZINC000065149162 136135134 /nfs/dbraw/zinc/13/51/34/136135134.db2.gz WMEUZKLPYCOQJD-UHFFFAOYSA-N 0 0 360.461 4.191 10 0 FIAERN Cc1cccc(N2CN(C3CCCCCC3)Cn3c(=O)c(C)c(C)nc32)c1 ZINC000072442648 136147843 /nfs/dbraw/zinc/14/78/43/136147843.db2.gz BQOUSHDIIBVZDW-UHFFFAOYSA-N 0 0 366.509 4.260 10 0 FIAERN CCCCCN1CN(c2ccc(CC)cc2)c2nc(C)c(CC)c(=O)n2C1 ZINC000072442009 136147888 /nfs/dbraw/zinc/14/78/88/136147888.db2.gz OUZAFRNJHBJBLZ-UHFFFAOYSA-N 0 0 368.525 4.235 10 0 FIAERN CCCCCN1CN(c2ccc(C)cc2C)c2nc(C)c(CC)c(=O)n2C1 ZINC000072443098 136148080 /nfs/dbraw/zinc/14/80/80/136148080.db2.gz JCEVNJBPCKZYHJ-UHFFFAOYSA-N 0 0 368.525 4.290 10 0 FIAERN CC(C)(C)OC(=O)N1CCC(CCOCc2cnc(Cl)s2)CC1 ZINC000095083795 221845724 /nfs/dbraw/zinc/84/57/24/221845724.db2.gz XFIXNLAMLQKCEX-UHFFFAOYSA-N 0 0 360.907 4.350 10 0 FIAERN CCOC(=O)C=Cc1ccc(Br)c(NC(=O)OC(C)(C)C)c1 ZINC000095830758 221972644 /nfs/dbraw/zinc/97/26/44/221972644.db2.gz GHTLSBONAMZFCO-VQHVLOKHSA-N 0 0 370.243 4.372 10 0 FIAERN O=C1NC(=O)C(=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)S1 ZINC000096438118 222120379 /nfs/dbraw/zinc/12/03/79/222120379.db2.gz WZDIWFWKGQLWSM-MLPAPPSSSA-N 0 0 370.213 4.489 10 0 FIAERN COC(=O)c1c(NC(=O)/C=C\c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000096507683 222122345 /nfs/dbraw/zinc/12/23/45/222122345.db2.gz FVIYLBUYORQGBV-XTOZHPGHSA-N 0 0 373.449 4.451 10 0 FIAERN O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Oc2cncc(F)c2)c1 ZINC000096939148 222143735 /nfs/dbraw/zinc/14/37/35/222143735.db2.gz DIPLMIIVEFADBF-UHFFFAOYSA-N 0 0 361.735 4.453 10 0 FIAERN O=c1cc(-c2cc(Br)c(Br)[nH]2)oc2ccccc12 ZINC000103135431 222322341 /nfs/dbraw/zinc/32/23/41/222322341.db2.gz NHSUAQYDBMEMRP-UHFFFAOYSA-N 0 0 369.012 4.313 10 0 FIAERN CCC(C)(C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl ZINC000104001889 222348171 /nfs/dbraw/zinc/34/81/71/222348171.db2.gz BYRPFRCCCNQXCV-UHFFFAOYSA-N 0 0 368.102 4.473 10 0 FIAERN Cc1c(Cl)nc(-c2cc3c(c(Br)c2)OCO3)nc1Cl ZINC000104140488 222351528 /nfs/dbraw/zinc/35/15/28/222351528.db2.gz PVKFUXCETIRIPH-UHFFFAOYSA-N 0 0 362.010 4.250 10 0 FIAERN O=C(c1cccc(I)c1)[C@H]1CCOc2ccccc21 ZINC000104195120 222352292 /nfs/dbraw/zinc/35/22/92/222352292.db2.gz ANRIEMCQYKTAPT-AWEZNQCLSA-N 0 0 364.182 4.040 10 0 FIAERN CCC(=O)Nc1cccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000105834223 222376262 /nfs/dbraw/zinc/37/62/62/222376262.db2.gz UZIHNPURBHBGQL-UHFFFAOYSA-N 0 0 359.429 4.324 10 0 FIAERN COCc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)o1 ZINC000019838865 522978106 /nfs/dbraw/zinc/97/81/06/522978106.db2.gz LMEXFBZXPQMQSX-QHCPKHFHSA-N 0 0 373.456 4.450 10 0 FIAERN Cc1cc(Cl)nc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000085333183 524919814 /nfs/dbraw/zinc/91/98/14/524919814.db2.gz KWYJAKZTUKGNII-LBPRGKRZSA-N 0 0 357.907 4.178 10 0 FIAERN OCCCCCOc1ccc(-c2ccc(OCCCCCO)cc2)cc1 ZINC000090443385 527536941 /nfs/dbraw/zinc/53/69/41/527536941.db2.gz AJTRBDIFCCSLLL-UHFFFAOYSA-N 0 0 358.478 4.436 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@@H]2C(=O)Nc3ccccc32)o1 ZINC000128547425 567948507 /nfs/dbraw/zinc/94/85/07/567948507.db2.gz LRBJUEBPJKBERX-FUHWJXTLSA-N 0 0 352.434 4.022 10 0 FIAERN COc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000062932698 567966418 /nfs/dbraw/zinc/96/64/18/567966418.db2.gz LBVOVJUGOUPYRK-HIFRSBDPSA-N 0 0 358.404 4.000 10 0 FIAERN FC(F)(F)Cn1ccc(NCc2ncc(-c3ccccc3Cl)o2)n1 ZINC000161824147 567969691 /nfs/dbraw/zinc/96/96/91/567969691.db2.gz QGGMYDFUDJEDSA-UHFFFAOYSA-N 0 0 356.735 4.366 10 0 FIAERN CC(C)CO[C@@H]1C[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1(C)C ZINC000188588619 567974351 /nfs/dbraw/zinc/97/43/51/567974351.db2.gz WLDDOAYVGWVBMZ-RBUKOAKNSA-N 0 0 368.525 4.067 10 0 FIAERN Cc1nnc([C@@H](N[C@@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000162463518 568023521 /nfs/dbraw/zinc/02/35/21/568023521.db2.gz KQZBRYXTPCBZRA-AEFFLSMTSA-N 0 0 354.454 4.168 10 0 FIAERN COC(=O)C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)c1ccccc1 ZINC000186971959 568031172 /nfs/dbraw/zinc/03/11/72/568031172.db2.gz MRXVHBKAJWCJME-INIZCTEOSA-N 0 0 362.376 4.224 10 0 FIAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(OC(C)C)cc2)c2ccccc2)[nH]1 ZINC000162585547 568043572 /nfs/dbraw/zinc/04/35/72/568043572.db2.gz LTEDUPKQGJDWEV-YWZLYKJASA-N 0 0 350.466 4.341 10 0 FIAERN CC[C@H](NC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C)c1nccs1 ZINC000162628824 568050398 /nfs/dbraw/zinc/05/03/98/568050398.db2.gz VZWATTPPZNXYOP-QRTARXTBSA-N 0 0 359.495 4.190 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[C@H](C)c3ccccc31)C2 ZINC000153135824 568062614 /nfs/dbraw/zinc/06/26/14/568062614.db2.gz CGNAILDOQUNJDE-MAUKXSAKSA-N 0 0 366.509 4.250 10 0 FIAERN Cc1cccc2c(CCNC(=O)[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c[nH]c21 ZINC000128663012 568132438 /nfs/dbraw/zinc/13/24/38/568132438.db2.gz CRAJDVKGRHPEBI-DLBZAZTESA-N 0 0 354.400 4.217 10 0 FIAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000408254922 568205005 /nfs/dbraw/zinc/20/50/05/568205005.db2.gz GGUZJNSCQYOBDQ-ZDUSSCGKSA-N 0 0 368.268 4.108 10 0 FIAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000408256032 568206294 /nfs/dbraw/zinc/20/62/94/568206294.db2.gz JZDCMILAIJSRJQ-DNVCBOLYSA-N 0 0 362.477 4.063 10 0 FIAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000408256036 568206296 /nfs/dbraw/zinc/20/62/96/568206296.db2.gz JZDCMILAIJSRJQ-KXBFYZLASA-N 0 0 362.477 4.063 10 0 FIAERN CC(C)c1nc(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1ccccc1Cl ZINC000330312684 568233837 /nfs/dbraw/zinc/23/38/37/568233837.db2.gz OJTFRCSNKIPYLW-DZGCQCFKSA-N 0 0 358.873 4.059 10 0 FIAERN CC1(C)C[C@H](NC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc2O1 ZINC000408292936 568348323 /nfs/dbraw/zinc/34/83/23/568348323.db2.gz VYPNYTNZVCIWPH-ICSRJNTNSA-N 0 0 366.461 4.072 10 0 FIAERN O=C(c1ccc(I)cc1)c1ccc2c(c1)CCCC2 ZINC000001455718 570500732 /nfs/dbraw/zinc/50/07/32/570500732.db2.gz RASNRENQBCFPQR-UHFFFAOYSA-N 0 0 362.210 4.401 10 0 FIAERN COc1cc(C(=O)Sc2cccc3cccnc32)cc(OC)c1OC ZINC000003218544 570515366 /nfs/dbraw/zinc/51/53/66/570515366.db2.gz PSWMHIRHRKGZLZ-UHFFFAOYSA-N 0 0 355.415 4.193 10 0 FIAERN CC(C)(C)OC(=O)/C=C/c1ccc(-n2cc(Br)cn2)c(F)c1 ZINC000725273826 570543421 /nfs/dbraw/zinc/54/34/21/570543421.db2.gz KOGOGPDXNWDRRY-FNORWQNLSA-N 0 0 367.218 4.129 10 0 FIAERN CCn1c(=O)cc(SCC(=O)NCCC2=CCCCC2)c2ccccc21 ZINC000004936479 570562424 /nfs/dbraw/zinc/56/24/24/570562424.db2.gz BAVPKLBZAJVHHZ-UHFFFAOYSA-N 0 0 370.518 4.120 10 0 FIAERN Cc1cn(C)nc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000020423703 570881197 /nfs/dbraw/zinc/88/11/97/570881197.db2.gz DFISHEKATVLEQO-UHFFFAOYSA-N 0 0 350.491 4.128 10 0 FIAERN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(Cc2ccccc2)C1 ZINC000584880205 570987853 /nfs/dbraw/zinc/98/78/53/570987853.db2.gz JMCYGGKINFUVMD-SFHVURJKSA-N 0 0 352.478 4.390 10 0 FIAERN Cn1c(CCc2ccc(NC(=O)c3ccccn3)cc2)nc2ccccc21 ZINC000032960835 571067484 /nfs/dbraw/zinc/06/74/84/571067484.db2.gz PUAHXAHYTLWMOO-UHFFFAOYSA-N 0 0 356.429 4.006 10 0 FIAERN COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(C)c(OC)c(C)c3o2)cc1 ZINC000096023648 571097811 /nfs/dbraw/zinc/09/78/11/571097811.db2.gz XCJBAXUKWUWAJL-UHFFFAOYSA-N 0 0 368.385 4.019 10 0 FIAERN CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=S ZINC000006178580 571140380 /nfs/dbraw/zinc/14/03/80/571140380.db2.gz VFOSSKHVOITNEA-MDWZMJQESA-N 0 0 367.257 4.331 10 0 FIAERN CCCn1ccc2oc(C)c(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2c1=O ZINC000075524627 571194767 /nfs/dbraw/zinc/19/47/67/571194767.db2.gz KVOZZGKRICTMAG-HNNXBMFYSA-N 0 0 366.461 4.421 10 0 FIAERN CCOC(=O)C1CCN(c2nc(C(C)C)nc3sc(C)c(C)c32)CC1 ZINC000035892889 571209169 /nfs/dbraw/zinc/20/91/69/571209169.db2.gz OHAYZMXENWVLMG-UHFFFAOYSA-N 0 0 361.511 4.211 10 0 FIAERN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102662 571241840 /nfs/dbraw/zinc/24/18/40/571241840.db2.gz YAMQSRBRZFKHCJ-IBGZPJMESA-N 0 0 363.448 4.143 10 0 FIAERN FC(F)(F)c1n[nH]c(I)c1-c1ccc(Cl)cc1 ZINC000675075569 571272639 /nfs/dbraw/zinc/27/26/39/571272639.db2.gz BBWIKZPFVQTTFH-UHFFFAOYSA-N 0 0 372.515 4.354 10 0 FIAERN FC(F)c1n[nH]c(I)c1-c1ccc(Cl)cc1 ZINC000675076276 571272664 /nfs/dbraw/zinc/27/26/64/571272664.db2.gz NBJDPCFTPGYFNI-UHFFFAOYSA-N 0 0 354.525 4.272 10 0 FIAERN CN(c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1)c1ccccc1 ZINC000048546641 571308905 /nfs/dbraw/zinc/30/89/05/571308905.db2.gz WUMOQWCLSXXDRM-UHFFFAOYSA-N 0 0 367.401 4.191 10 0 FIAERN CC(C)CCNC(=O)C1CCN(c2nc3cc(Cl)ccc3s2)CC1 ZINC000003045809 571344041 /nfs/dbraw/zinc/34/40/41/571344041.db2.gz QKEQRROARVVTLF-UHFFFAOYSA-N 0 0 365.930 4.328 10 0 FIAERN CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116781976 1079579983 /nfs/dbraw/zinc/57/99/83/1079579983.db2.gz QLMALPZAZATQMP-UXHICEINSA-N 0 0 360.546 4.130 10 0 FIAERN C[C@H](NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1COc2ccccc21 ZINC000246242129 1080475690 /nfs/dbraw/zinc/47/56/90/1080475690.db2.gz GHOAJGAEBRSXPZ-WBAXXEDZSA-N 0 0 366.461 4.153 10 0 FIAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)C1 ZINC000119202380 1082102294 /nfs/dbraw/zinc/10/22/94/1082102294.db2.gz CYJALPDOJUXRMA-MJGOQNOKSA-N 0 0 370.472 4.009 10 0 FIAERN O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408120344 1085170734 /nfs/dbraw/zinc/17/07/34/1085170734.db2.gz FYRBSBNYXCNDCJ-DJIMGWMZSA-N 0 0 371.308 4.219 10 0 FIAERN O=C([C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCC[C@H]1c1ccco1 ZINC000408133358 1085213122 /nfs/dbraw/zinc/21/31/22/1085213122.db2.gz OQTGPXPHSAWEOP-HKUYNNGSSA-N 0 0 367.493 4.450 10 0 FIAERN CC1(C)C[C@@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c2ccc(F)cc2O1 ZINC000408148803 1085253810 /nfs/dbraw/zinc/25/38/10/1085253810.db2.gz IGWMOWNWKRKDLT-IAGOWNOFSA-N 0 0 372.444 4.088 10 0 FIAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000408149672 1085257744 /nfs/dbraw/zinc/25/77/44/1085257744.db2.gz RPSHHDIVWHGACZ-BZSNNMDCSA-N 0 0 373.545 4.066 10 0 FIAERN Cc1csc([C@H]2CCCCN2C(=O)c2cn(-c3ccccc3)nc2C)n1 ZINC000329111646 1085760467 /nfs/dbraw/zinc/76/04/67/1085760467.db2.gz QZQNTDYHWFIICQ-GOSISDBHSA-N 0 0 366.490 4.313 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(COC(C)C)c3)CCO2)o1 ZINC000153725646 1086088114 /nfs/dbraw/zinc/08/81/14/1086088114.db2.gz BAVSWWYJQQNKQU-LJQANCHMSA-N 0 0 358.438 4.118 10 0 FIAERN O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000154354012 1086349922 /nfs/dbraw/zinc/34/99/22/1086349922.db2.gz IEGLLONDQAYGSG-JTQLQIEISA-N 0 0 358.360 4.321 10 0 FIAERN Cc1ccc([C@H]2CN(C(=O)Nc3c(C)noc3-c3ccccc3)CCO2)o1 ZINC000155163463 1086485942 /nfs/dbraw/zinc/48/59/42/1086485942.db2.gz CJFDRGUKAFYBOS-QGZVFWFLSA-N 0 0 367.405 4.157 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000156460869 1086692866 /nfs/dbraw/zinc/69/28/66/1086692866.db2.gz ZLGCFTBCDGOKSS-UHFFFAOYSA-N 0 0 367.280 4.214 10 0 FIAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156499502 1086697453 /nfs/dbraw/zinc/69/74/53/1086697453.db2.gz QYCCFAGVJQWLNQ-UHFFFAOYSA-N 0 0 354.498 4.339 10 0 FIAERN Cc1csc([C@@H]2CCCCN2C(=O)c2cccc(-n3cccn3)c2)n1 ZINC000329343800 1086916855 /nfs/dbraw/zinc/91/68/55/1086916855.db2.gz TZXFOBLLUHJIKS-KRWDZBQOSA-N 0 0 352.463 4.005 10 0 FIAERN Cc1ccn(-c2ccc(C(=O)N3CCCC[C@H]3c3nccs3)cc2)n1 ZINC000329487486 1086990243 /nfs/dbraw/zinc/99/02/43/1086990243.db2.gz XUYUTHXNUHPWEP-KRWDZBQOSA-N 0 0 352.463 4.005 10 0 FIAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@H]1C1CCCCC1 ZINC000407975038 1088586829 /nfs/dbraw/zinc/58/68/29/1088586829.db2.gz FTPDWRMXUUEMLH-FQEVSTJZSA-N 0 0 369.509 4.499 10 0 FIAERN O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179184826 1088742207 /nfs/dbraw/zinc/74/22/07/1088742207.db2.gz QWKGHCBEKGSURL-KKSFZXQISA-N 0 0 370.880 4.169 10 0 FIAERN Cc1c(Cl)cc(F)c(NC(=O)N2CCC(c3ccnn3C)CC2)c1F ZINC000408022072 1088848991 /nfs/dbraw/zinc/84/89/91/1088848991.db2.gz QVQSFZSYICZLCV-UHFFFAOYSA-N 0 0 368.815 4.072 10 0 FIAERN CCCC1CCC(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000182453026 1088916633 /nfs/dbraw/zinc/91/66/33/1088916633.db2.gz OHKVLELGVIYLFM-ABHNRTSZSA-N 0 0 373.545 4.210 10 0 FIAERN Cc1cc(Cl)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1Cl ZINC000183337341 1088988951 /nfs/dbraw/zinc/98/89/51/1088988951.db2.gz QCVKQFDCDRWTGS-ZDUSSCGKSA-N 0 0 354.241 4.179 10 0 FIAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cc2ccccc2s1 ZINC000246711232 1089806518 /nfs/dbraw/zinc/80/65/18/1089806518.db2.gz FHHBZNHKCBNBLF-UVFQYZLESA-N 0 0 358.507 4.299 10 0 FIAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1Cl ZINC000408063927 1090201078 /nfs/dbraw/zinc/20/10/78/1090201078.db2.gz JZBOTZNBQKSDHB-DFHBCGBQSA-N 0 0 371.308 4.121 10 0 FIAERN CC(C)c1nc(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000408081785 1090432997 /nfs/dbraw/zinc/43/29/97/1090432997.db2.gz TZSDOWUMFWSPIR-UHFFFAOYSA-N 0 0 357.498 4.115 10 0 FIAERN Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nccs4)C3)cs2)o1 ZINC000109053502 1090784300 /nfs/dbraw/zinc/78/43/00/1090784300.db2.gz YFINDMLDBBIZAI-LBPRGKRZSA-N 0 0 359.476 4.188 10 0 FIAERN O=C1C[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc2N1 ZINC000109489090 1091347627 /nfs/dbraw/zinc/34/76/27/1091347627.db2.gz JAKQXJGHMIAODA-ZDUSSCGKSA-N 0 0 359.307 4.230 10 0 FIAERN Cc1cnn([C@@H]2CCCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)c1 ZINC000106223688 1091717345 /nfs/dbraw/zinc/71/73/45/1091717345.db2.gz MMAZTTUAEOYJHG-WMLDXEAASA-N 0 0 371.872 4.293 10 0 FIAERN CC(C)(C)[C@H](NC(=O)N1CCO[C@@H](c2nccs2)C1)c1cccs1 ZINC000111831026 1091797349 /nfs/dbraw/zinc/79/73/49/1091797349.db2.gz YBDYTJDWUXDINP-TZMCWYRMSA-N 0 0 365.524 4.075 10 0 FIAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H]1c3ccccc3CCC1(C)C)CCC2 ZINC000332681138 1092921290 /nfs/dbraw/zinc/92/12/90/1092921290.db2.gz 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ZINC000050593677 221032702 /nfs/dbraw/zinc/03/27/02/221032702.db2.gz ABBNZDNJDYCWFM-UHFFFAOYSA-N 0 0 362.054 4.452 10 0 FIAERN CC[C@@H]1c2cccn2CCN1C(=O)c1cccc(NCc2cccnc2)c1C ZINC000055271494 221064963 /nfs/dbraw/zinc/06/49/63/221064963.db2.gz BGDUTFBMPVZYRF-OAQYLSRUSA-N 0 0 374.488 4.411 10 0 FIAERN Cc1ccc(Sc2[nH]nc(N)c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000053994224 221049067 /nfs/dbraw/zinc/04/90/67/221049067.db2.gz ORABBVAWIGILBL-UHFFFAOYSA-N 0 0 358.854 4.357 10 0 FIAERN O=C(Nc1cccc(C(=O)N2CCCC2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000056590406 221081140 /nfs/dbraw/zinc/08/11/40/221081140.db2.gz MJPVZSCLMCYQLX-LJQANCHMSA-N 0 0 355.482 4.109 10 0 FIAERN C[C@H](NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)[C@@H]1CCCO1 ZINC000056875950 221081658 /nfs/dbraw/zinc/08/16/58/221081658.db2.gz NMKHJSCJUZWQLS-ZBEGNZNMSA-N 0 0 357.281 4.235 10 0 FIAERN Fc1cc2nc(-c3ccc(I)cc3)[nH]c2cc1F ZINC000057798094 221094548 /nfs/dbraw/zinc/09/45/48/221094548.db2.gz HMOSAWLZWMYLBE-UHFFFAOYSA-N 0 0 356.113 4.113 10 0 FIAERN O[C@H](Cc1cccc(Cl)c1)c1ccccc1I ZINC000062143680 221139775 /nfs/dbraw/zinc/13/97/75/221139775.db2.gz PHVQBVQHVXZVEU-CQSZACIVSA-N 0 0 358.606 4.221 10 0 FIAERN Cc1cccc(OCc2nc(-c3ccc(N4CCCCCC4)nc3)no2)c1 ZINC000065215809 221181548 /nfs/dbraw/zinc/18/15/48/221181548.db2.gz ZSFOJHWBDUXVDT-UHFFFAOYSA-N 0 0 364.449 4.399 10 0 FIAERN CC(C)(C)C(=O)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148419 221171666 /nfs/dbraw/zinc/17/16/66/221171666.db2.gz YPTJSMPKQWUKTP-AWEZNQCLSA-N 0 0 356.445 4.111 10 0 FIAERN CCn1ccc(C(=O)N2CCc3cc(-c4csc(C5CC5)n4)ccc32)n1 ZINC000065254913 221188794 /nfs/dbraw/zinc/18/87/94/221188794.db2.gz ZYYWIYGRVAXVAE-UHFFFAOYSA-N 0 0 364.474 4.107 10 0 FIAERN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(Br)ccc1F ZINC000070136747 221331912 /nfs/dbraw/zinc/33/19/12/221331912.db2.gz LLVBBPCUVMEMPX-UHFFFAOYSA-N 0 0 352.247 4.143 10 0 FIAERN Cc1cccc(C(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)c1 ZINC000072176343 221449791 /nfs/dbraw/zinc/44/97/91/221449791.db2.gz HQOZHIXUCOLRTC-UHFFFAOYSA-N 0 0 355.397 4.286 10 0 FIAERN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(N)=S)cc1 ZINC000072412989 221504941 /nfs/dbraw/zinc/50/49/41/221504941.db2.gz HOCZIVAAWKLABX-FQEVSTJZSA-N 0 0 361.470 4.243 10 0 FIAERN COC(=O)c1cc2sccc2n1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000006750701 132834530 /nfs/dbraw/zinc/83/45/30/132834530.db2.gz VVYMQHHYWFLROK-ZDUSSCGKSA-N 0 0 368.458 4.030 10 0 FIAERN Clc1ccc(-c2nnc(N3CCOCC3)c3ccccc32)cc1Cl ZINC000072274372 136144065 /nfs/dbraw/zinc/14/40/65/136144065.db2.gz IFHRCYVTYPGMAU-UHFFFAOYSA-N 0 0 360.244 4.440 10 0 FIAERN Cc1ccc(CN2CN(c3cccc(C)c3)c3nc(C)c(C)c(=O)n3C2)cc1 ZINC000072442651 136147889 /nfs/dbraw/zinc/14/78/89/136147889.db2.gz CPHGFPNPWUHSLO-UHFFFAOYSA-N 0 0 374.488 4.046 10 0 FIAERN CCCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000073656855 221564737 /nfs/dbraw/zinc/56/47/37/221564737.db2.gz GRZLTHAYAADTIB-CABCVRRESA-N 0 0 356.507 4.422 10 0 FIAERN C[C@@H](NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccncc1 ZINC000079855841 221693898 /nfs/dbraw/zinc/69/38/98/221693898.db2.gz FZYSOFGHWXXLIN-GFCCVEGCSA-N 0 0 354.841 4.045 10 0 FIAERN Cc1ccc(CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000095088105 221846628 /nfs/dbraw/zinc/84/66/28/221846628.db2.gz BGEMBXYYXGUYIH-UHFFFAOYSA-N 0 0 374.525 4.379 10 0 FIAERN Cn1cc([C@@H](CC(=O)N2CCCC2)c2ccccc2F)c2ccccc21 ZINC000096278888 222109293 /nfs/dbraw/zinc/10/92/93/222109293.db2.gz DUXZWGSKTHZKMX-SFHVURJKSA-N 0 0 350.437 4.462 10 0 FIAERN CCCN(C)C(=O)c1ccc(CSc2nnc(C(C)C)n2CC)cc1 ZINC000096288169 222110734 /nfs/dbraw/zinc/11/07/34/222110734.db2.gz XUMMVBGSCYQNFA-UHFFFAOYSA-N 0 0 360.527 4.196 10 0 FIAERN O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000100279941 222240563 /nfs/dbraw/zinc/24/05/63/222240563.db2.gz LJGJZBLHSJLUEO-CALCHBBNSA-N 0 0 355.869 4.453 10 0 FIAERN Cn1c2c(s/c1=N/C(=O)c1ccc(Cl)cc1)CCc1ccccc1-2 ZINC000101819137 222285725 /nfs/dbraw/zinc/28/57/25/222285725.db2.gz OCXGQGQZRAUAAD-XUTLUUPISA-N 0 0 354.862 4.247 10 0 FIAERN COC(=O)C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1Cl ZINC000105750240 222375149 /nfs/dbraw/zinc/37/51/49/222375149.db2.gz AJELAYAGTRJBOR-QFBILLFUSA-N 0 0 371.864 4.181 10 0 FIAERN CCc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)o1 ZINC000106035242 222380239 /nfs/dbraw/zinc/38/02/39/222380239.db2.gz IYJPLLAHABGUIL-UHFFFAOYSA-N 0 0 350.422 4.079 10 0 FIAERN Cc1nn(C(=O)CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc12 ZINC000020464387 527573842 /nfs/dbraw/zinc/57/38/42/527573842.db2.gz HTXLEKYNSJMLHW-IIDMSEBBSA-N 0 0 355.482 4.096 10 0 FIAERN CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000038202312 560086357 /nfs/dbraw/zinc/08/63/57/560086357.db2.gz CYSHNJQMYORNJI-BLKABHOGSA-N 0 0 358.478 4.461 10 0 biogenic,in-vitro FIAERN C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO ZINC000004102367 560196856 /nfs/dbraw/zinc/19/68/56/560196856.db2.gz SJFXXCHPVOUCOT-GWBIGIMOSA-N 0 0 373.537 4.008 10 0 in-vitro FIAERN COc1c2c(cc(O)c1CC=C(C)C)OCC(c1ccc(O)cc1O)=C2 ZINC000005854520 560203553 /nfs/dbraw/zinc/20/35/53/560203553.db2.gz UACNRZUVCUEUPY-UHFFFAOYSA-N 0 0 354.402 4.254 10 0 biogenic,in-vitro FIAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330259201 567907450 /nfs/dbraw/zinc/90/74/50/567907450.db2.gz RWARTQPBPYMTTD-OXJNMPFZSA-N 0 0 360.461 4.133 10 0 FIAERN C[C@H](NC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1ccncc1 ZINC000161532571 567942509 /nfs/dbraw/zinc/94/25/09/567942509.db2.gz YQTJCNCUZSTKDY-AWEZNQCLSA-N 0 0 359.857 4.049 10 0 FIAERN COC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)c(OC)c1 ZINC000186907443 568011724 /nfs/dbraw/zinc/01/17/24/568011724.db2.gz UJRJTAGEGUOTFU-INIZCTEOSA-N 0 0 372.421 4.142 10 0 FIAERN COc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H]4CCC[C@@H]43)s2)cc1OC ZINC000330267650 568041242 /nfs/dbraw/zinc/04/12/42/568041242.db2.gz AOXJZVLOWWVOLN-ZFWWWQNUSA-N 0 0 372.490 4.150 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(=O)[nH]c3cc(F)ccc32)o1 ZINC000128575697 568042878 /nfs/dbraw/zinc/04/28/78/568042878.db2.gz BQJKGABBFXDHPL-GOSISDBHSA-N 0 0 368.408 4.190 10 0 FIAERN O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330330769 568245813 /nfs/dbraw/zinc/24/58/13/568245813.db2.gz XDZOBBMAMIRCDZ-KSSFIOAISA-N 0 0 364.474 4.010 10 0 FIAERN C[C@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000408283891 568307215 /nfs/dbraw/zinc/30/72/15/568307215.db2.gz QGWYECYAIPCPTA-MGPLVRAMSA-N 0 0 363.260 4.140 10 0 FIAERN CC1(C)C[C@@H](NC(=O)NC2CCC3(CCOCC3)CC2)c2ccccc2O1 ZINC000408289203 568329110 /nfs/dbraw/zinc/32/91/10/568329110.db2.gz CBHDNVJHTRDWPV-GOSISDBHSA-N 0 0 372.509 4.327 10 0 FIAERN CCc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000049786601 568602211 /nfs/dbraw/zinc/60/22/11/568602211.db2.gz MHJGHRSZIJTKCR-LSDHHAIUSA-N 0 0 356.466 4.388 10 0 FIAERN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023305707 570479206 /nfs/dbraw/zinc/47/92/06/570479206.db2.gz JEHDICOEJNEDLE-UHFFFAOYSA-N 0 0 351.427 4.416 10 0 FIAERN COc1ccc(C2=CN3C(c4ccc(C)cc4)=CSC3=NN2)cc1OC ZINC000005682729 570633584 /nfs/dbraw/zinc/63/35/84/570633584.db2.gz PIMHHROUHKEUCS-UHFFFAOYSA-N 0 0 365.458 4.232 10 0 FIAERN Cc1ccc2[nH]c(=O)c3cc(C(=O)N[C@H]4CCCC[C@H]4C)sc3c2c1 ZINC000006739389 570653089 /nfs/dbraw/zinc/65/30/89/570653089.db2.gz NXPGXTWBVQVIQU-DOMZBBRYSA-N 0 0 354.475 4.360 10 0 FIAERN O=c1[nH]ccc2ccc(-c3cc(NCc4cccnc4)nc4[nH]ccc43)cc21 ZINC000072142098 570951028 /nfs/dbraw/zinc/95/10/28/570951028.db2.gz LALSSEYJVDNIHN-UHFFFAOYSA-N 0 0 367.412 4.079 10 0 FIAERN CC(C)n1c2cnccc2nc1[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000096125214 571036521 /nfs/dbraw/zinc/03/65/21/571036521.db2.gz JPGPMVPHEOIWEA-KRWDZBQOSA-N 0 0 354.498 4.299 10 0 FIAERN CCOC(=O)c1csc(CN(C(=O)CCC2CCCC2)C(C)(C)C)n1 ZINC000040368160 571095008 /nfs/dbraw/zinc/09/50/08/571095008.db2.gz OOXSWONPMSCQCM-UHFFFAOYSA-N 0 0 366.527 4.417 10 0 FIAERN CCC(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000036105568 571141848 /nfs/dbraw/zinc/14/18/48/571141848.db2.gz HSDSZPINKIMACC-UHFFFAOYSA-N 0 0 350.871 4.277 10 0 FIAERN COc1ccc(CNc2ccc(CC(=O)NCc3ccccc3)cc2)cc1 ZINC000037554854 571142190 /nfs/dbraw/zinc/14/21/90/571142190.db2.gz ZMJWQJFJFBKIQO-UHFFFAOYSA-N 0 0 360.457 4.166 10 0 FIAERN Cc1cc(C)c(Cn2cccc2CNC(=O)NCc2ccco2)c(C)c1 ZINC000020995842 571144298 /nfs/dbraw/zinc/14/42/98/571144298.db2.gz FWUFSCCBUPMUAS-UHFFFAOYSA-N 0 0 351.450 4.054 10 0 FIAERN Cn1cc(-c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)cn1 ZINC000072123888 571170332 /nfs/dbraw/zinc/17/03/32/571170332.db2.gz WCWFGNDRLYTLPM-UHFFFAOYSA-N 0 0 371.322 4.218 10 0 FIAERN CCc1ccccc1NC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033265786 571200722 /nfs/dbraw/zinc/20/07/22/571200722.db2.gz SIZGYEYZBFEJCC-HNNXBMFYSA-N 0 0 366.490 4.109 10 0 FIAERN FC(F)(F)COc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000085347963 571233486 /nfs/dbraw/zinc/23/34/86/571233486.db2.gz VQDOPURKKBVDIX-UHFFFAOYSA-N 0 0 372.656 4.229 10 0 FIAERN COc1ccc(-c2noc(CCN(CC(C)C)C(=O)CC(C)(C)C)n2)cc1 ZINC000006773206 571245972 /nfs/dbraw/zinc/24/59/72/571245972.db2.gz JGXLKONLPRBWEN-UHFFFAOYSA-N 0 0 373.497 4.209 10 0 FIAERN CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037560747 571287964 /nfs/dbraw/zinc/28/79/64/571287964.db2.gz OQIGBAKUONUQLS-UHFFFAOYSA-N 0 0 362.395 4.121 10 0 FIAERN COC(=O)c1nc(Br)c2cc(Oc3ccccc3)ccc2c1O ZINC000146716317 571307325 /nfs/dbraw/zinc/30/73/25/571307325.db2.gz YVFJAFZUPPWHJX-UHFFFAOYSA-N 0 0 374.190 4.282 10 0 FIAERN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Nc2ccccc2)o1 ZINC000048546681 571308883 /nfs/dbraw/zinc/30/88/83/571308883.db2.gz YPILUTMEEZOINR-UHFFFAOYSA-N 0 0 353.374 4.167 10 0 FIAERN CCOC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000048545427 571308898 /nfs/dbraw/zinc/30/88/98/571308898.db2.gz RZEWUNXJKSUKGS-LFIBNONCSA-N 0 0 371.820 4.398 10 0 FIAERN O=C(/C=C\c1ccc(O)cc1)c1cccc(C(=O)/C=C\c2ccc(O)cc2)n1 ZINC000048564526 571308982 /nfs/dbraw/zinc/30/89/82/571308982.db2.gz GCSVDBMPVNYUKN-SFGFDRCGSA-N 0 0 371.392 4.285 10 0 FIAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2nccnc2c1 ZINC000129864074 1125541064 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/nfs/dbraw/zinc/30/86/29/1119308629.db2.gz IDFYBFOXYCJXKJ-LBPRGKRZSA-N 0 0 366.918 4.268 10 0 FIAERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)c(Cl)c1 ZINC000175387976 1119396234 /nfs/dbraw/zinc/39/62/34/1119396234.db2.gz IARXVGPNJRTTGX-ZDUSSCGKSA-N 0 0 356.900 4.021 10 0 FIAERN O=C(c1ccc2sccc2c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000268408211 1122246857 /nfs/dbraw/zinc/24/68/57/1122246857.db2.gz GOGMGJJIOCKBIW-INIZCTEOSA-N 0 0 366.490 4.197 10 0 FIAERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000129724838 1125247779 /nfs/dbraw/zinc/24/77/79/1125247779.db2.gz IXBUVTOTIDYVEA-WMZOPIPTSA-N 0 0 353.466 4.014 10 0 FIAERN O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc(Cl)nc(Cl)c1 ZINC000002243739 219433774 /nfs/dbraw/zinc/43/37/74/219433774.db2.gz PTGXOVMWKKGRNM-UHFFFAOYSA-N 0 0 360.653 4.169 10 0 FIAERN CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 ZINC000002460030 219445311 /nfs/dbraw/zinc/44/53/11/219445311.db2.gz RNLCLAOFGCZEEI-RTBURBONSA-N 0 0 368.502 4.108 10 0 FIAERN CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 ZINC000002460025 219445696 /nfs/dbraw/zinc/44/56/96/219445696.db2.gz RNLCLAOFGCZEEI-OALUTQOASA-N 0 0 368.502 4.108 10 0 FIAERN CCC/[S@](C[C@@H]1CC1(Cl)Cl)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000003904251 219529401 /nfs/dbraw/zinc/52/94/01/219529401.db2.gz BFHSLLFISLMNRM-YUNKPMOVSA-N 0 0 368.351 4.089 10 0 FIAERN O=C(Nc1nc2c(cccc2F)s1)c1ccccc1Br ZINC000004331533 219566687 /nfs/dbraw/zinc/56/66/87/219566687.db2.gz NCESLEKLVBLEAE-UHFFFAOYSA-N 0 0 351.200 4.450 10 0 FIAERN CCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1OC ZINC000007655998 219814640 /nfs/dbraw/zinc/81/46/40/219814640.db2.gz XXZFLZDLEGPPSL-WUXMJOGZSA-N 0 0 354.402 4.305 10 0 FIAERN CCn1c(Nc2ccc(C)cc2)nnc(SCc2cccs2)c1=O ZINC000334162121 223132520 /nfs/dbraw/zinc/13/25/20/223132520.db2.gz JZCGYVXMJUHULU-UHFFFAOYSA-N 0 0 358.492 4.064 10 0 FIAERN O=C(c1ccno1)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000009704458 219885207 /nfs/dbraw/zinc/88/52/07/219885207.db2.gz QPMHQXJAHAKZCA-UHFFFAOYSA-N 0 0 353.378 4.270 10 0 FIAERN Cc1noc(C)c1CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1CC(C)C ZINC000011711079 219929073 /nfs/dbraw/zinc/92/90/73/219929073.db2.gz AGTDLLIVUBAZHY-FQEVSTJZSA-N 0 0 365.477 4.487 10 0 FIAERN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1 ZINC000014839410 220133663 /nfs/dbraw/zinc/13/36/63/220133663.db2.gz SEKVEJRKSFMEFC-OAHLLOKOSA-N 0 0 354.450 4.386 10 0 FIAERN Cc1ccccc1-c1cnnc(N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000015061914 220143109 /nfs/dbraw/zinc/14/31/09/220143109.db2.gz ZHSNZIDWVACELD-QFIPXVFZSA-N 0 0 373.504 4.250 10 0 FIAERN CCn1cc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)c(C)n1 ZINC000014977285 220138256 /nfs/dbraw/zinc/13/82/56/220138256.db2.gz QHLDTVVJWXHGHH-UHFFFAOYSA-N 0 0 356.857 4.078 10 0 FIAERN Cc1c2c(Br)n[nH]c2c(Br)cc1Br ZINC000014985940 220140720 /nfs/dbraw/zinc/14/07/20/220140720.db2.gz NKQGINAJCVXATC-UHFFFAOYSA-N 0 0 368.854 4.159 10 0 FIAERN COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)C1CCC1)C2 ZINC000015068692 220144365 /nfs/dbraw/zinc/14/43/65/220144365.db2.gz IKOVHJRTAVTMOC-UHFFFAOYSA-N 0 0 351.446 4.192 10 0 FIAERN CCc1ccc(C(=O)Nc2cc(Cl)ccc2Sc2nncn2C)cc1 ZINC000015967451 220173725 /nfs/dbraw/zinc/17/37/25/220173725.db2.gz IDOJEBNTCSRXBF-UHFFFAOYSA-N 0 0 372.881 4.434 10 0 FIAERN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccsc1 ZINC000019787551 220297327 /nfs/dbraw/zinc/29/73/27/220297327.db2.gz JHVSTVXETHLYJB-UHFFFAOYSA-N 0 0 365.414 4.141 10 0 FIAERN NC(=S)c1cccc(COc2ccc(Cl)cc2Br)c1 ZINC000019980410 220309074 /nfs/dbraw/zinc/30/90/74/220309074.db2.gz MYQUDPAWDLDXIE-UHFFFAOYSA-N 0 0 356.672 4.316 10 0 FIAERN C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000020342514 220324280 /nfs/dbraw/zinc/32/42/80/220324280.db2.gz HXGIWGWKDAOWQK-ZIAGYGMSSA-N 0 0 372.490 4.030 10 0 FIAERN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H](C(C)C)C(=O)N3)cc1 ZINC000020577653 220334845 /nfs/dbraw/zinc/33/48/45/220334845.db2.gz JKIXZMVXHVCBQC-IBGZPJMESA-N 0 0 372.490 4.303 10 0 FIAERN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2O)cc1 ZINC000021028293 220349442 /nfs/dbraw/zinc/34/94/42/220349442.db2.gz XDTODXZEOUYELS-UHFFFAOYSA-N 0 0 352.434 4.291 10 0 FIAERN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(F)cc3)c2c1C ZINC000022025145 220374642 /nfs/dbraw/zinc/37/46/42/220374642.db2.gz ADYMKOCMZOJSFK-UHFFFAOYSA-N 0 0 373.453 4.072 10 0 FIAERN COc1cccc2c(C)cc(=O)n(CCC(=O)Nc3ccc(Cl)cc3)c12 ZINC000032527753 220663847 /nfs/dbraw/zinc/66/38/47/220663847.db2.gz RCUPSRMOHABWPU-UHFFFAOYSA-N 0 0 370.836 4.001 10 0 FIAERN CCc1c(C)nc2nc(-c3ccccc3)nn2c1NCCc1ccccc1 ZINC000033268293 220722690 /nfs/dbraw/zinc/72/26/90/220722690.db2.gz NQHHNITXAURBNT-UHFFFAOYSA-N 0 0 357.461 4.317 10 0 FIAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(I)cc1 ZINC000035632510 220792389 /nfs/dbraw/zinc/79/23/89/220792389.db2.gz MQCQKGTVBRPCGR-VIFPVBQESA-N 0 0 358.150 4.276 10 0 FIAERN O=C(c1cccnc1Cl)N(Cc1ccccc1Br)C1CC1 ZINC000037983886 220844606 /nfs/dbraw/zinc/84/46/06/220844606.db2.gz LMEXYCVNOPXHMP-UHFFFAOYSA-N 0 0 365.658 4.302 10 0 FIAERN CCN(CC)S(=O)(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963750 220866753 /nfs/dbraw/zinc/86/67/53/220866753.db2.gz XPVOCMBYPCPLDA-UHFFFAOYSA-N 0 0 373.453 4.148 10 0 FIAERN COCc1nc2cc(Cl)ccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040407085 220905131 /nfs/dbraw/zinc/90/51/31/220905131.db2.gz FKULZVCEHNTNKD-UHFFFAOYSA-N 0 0 360.841 4.096 10 0 FIAERN CCCCCn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040279760 220898832 /nfs/dbraw/zinc/89/88/32/220898832.db2.gz XMCVHNNEZGJFDQ-UHFFFAOYSA-N 0 0 351.450 4.165 10 0 FIAERN COc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000040323876 220901250 /nfs/dbraw/zinc/90/12/50/220901250.db2.gz ZUAGMKXSXZATIF-UHFFFAOYSA-N 0 0 358.850 4.402 10 0 FIAERN CCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1OC ZINC000041000085 220927536 /nfs/dbraw/zinc/92/75/36/220927536.db2.gz PEKQIONCRKZZSS-UHFFFAOYSA-N 0 0 363.841 4.327 10 0 FIAERN CCOc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040782722 220921431 /nfs/dbraw/zinc/92/14/31/220921431.db2.gz ODJZCSPJXVTDSV-UHFFFAOYSA-N 0 0 357.364 4.223 10 0 FIAERN Nc1c(Nc2ccccc2Br)ncnc1Oc1ccccc1 ZINC000040781440 220921918 /nfs/dbraw/zinc/92/19/18/220921918.db2.gz IBXFSQBFBSMOQO-UHFFFAOYSA-N 0 0 357.211 4.357 10 0 FIAERN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1 ZINC000043733324 220950320 /nfs/dbraw/zinc/95/03/20/220950320.db2.gz UEJFWSQWVBRIND-ZDUSSCGKSA-N 0 0 370.250 4.126 10 0 FIAERN CC(=O)S[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000049036888 221018223 /nfs/dbraw/zinc/01/82/23/221018223.db2.gz SSONTNYBPYRIPQ-JTQLQIEISA-N 0 0 361.077 4.046 10 0 FIAERN CC(C)NC(=O)CCNc1c(Cl)cc(Br)cc1Cl ZINC000054048102 221049795 /nfs/dbraw/zinc/04/97/95/221049795.db2.gz HAXGZPQDRJOXCF-UHFFFAOYSA-N 0 0 354.075 4.083 10 0 FIAERN CCOc1cc2[nH+]ccc(Nc3cccc(C(=O)[O-])c3)c2cc1OCC ZINC000053994688 221049920 /nfs/dbraw/zinc/04/99/20/221049920.db2.gz YLDDKAGLQUSAMV-UHFFFAOYSA-N 0 0 352.390 4.474 10 0 FIAERN Ic1ccc(CNc2ccc3ncccc3c2)o1 ZINC000054108066 221050420 /nfs/dbraw/zinc/05/04/20/221050420.db2.gz PAASPLMGIAFOSX-UHFFFAOYSA-N 0 0 350.159 4.045 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1c2ccccc2nc1C(F)(F)F ZINC000060823164 221132738 /nfs/dbraw/zinc/13/27/38/221132738.db2.gz NETURCKAVOMMTD-LBPRGKRZSA-N 0 0 369.387 4.455 10 0 FIAERN CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Br)c1 ZINC000065000475 221163108 /nfs/dbraw/zinc/16/31/08/221163108.db2.gz OENHZFYUOPNRAF-UHFFFAOYSA-N 0 0 372.218 4.370 10 0 FIAERN Cc1nc2cc(-c3noc(-c4cncc(Br)c4)n3)ccc2o1 ZINC000065149626 221172502 /nfs/dbraw/zinc/17/25/02/221172502.db2.gz KONFGANWGOTGJK-UHFFFAOYSA-N 0 0 357.167 4.011 10 0 FIAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc(-c2ccccc2)no1 ZINC000066512269 221245042 /nfs/dbraw/zinc/24/50/42/221245042.db2.gz FGYYQTWXWROYJX-FQEVSTJZSA-N 0 0 362.429 4.334 10 0 FIAERN CCN(CC)C(=O)c1cc(Cl)cc(Cl)c1I ZINC000070236858 221332079 /nfs/dbraw/zinc/33/20/79/221332079.db2.gz LJHUJKQJPXALOL-UHFFFAOYSA-N 0 0 372.033 4.080 10 0 FIAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(C(F)(F)F)c2)C(=O)C1 ZINC000071790617 221376577 /nfs/dbraw/zinc/37/65/77/221376577.db2.gz SOQXTMKKRMCXBN-LLVKDONJSA-N 0 0 361.335 4.138 10 0 FIAERN COC(=O)c1cc2sccc2n1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000006750702 132834488 /nfs/dbraw/zinc/83/44/88/132834488.db2.gz VVYMQHHYWFLROK-CYBMUJFWSA-N 0 0 368.458 4.030 10 0 FIAERN CCOc1ccccc1N1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000033752325 132933803 /nfs/dbraw/zinc/93/38/03/132933803.db2.gz WECYUPPTCABRBB-QXMHVHEDSA-N 0 0 370.880 4.101 10 0 FIAERN Cc1ccc(Nc2ncnc(N3CCc4ccccc4C3)c2N)cc1Cl ZINC000040703703 136119899 /nfs/dbraw/zinc/11/98/99/136119899.db2.gz NCPTWRVUZQAXBI-UHFFFAOYSA-N 0 0 365.868 4.327 10 0 FIAERN CC(C)(C)OC(=O)N(Cc1ncco1)Cc1ccc(Br)cc1 ZINC000091692071 221785342 /nfs/dbraw/zinc/78/53/42/221785342.db2.gz ZADOYCJMLULWPR-UHFFFAOYSA-N 0 0 367.243 4.374 10 0 FIAERN CC(C)(C)OC(=O)N1CCC(CCCOc2cnc3ccccc3n2)CC1 ZINC000095083718 221845592 /nfs/dbraw/zinc/84/55/92/221845592.db2.gz HGKOKGOAJHVRBR-UHFFFAOYSA-N 0 0 371.481 4.436 10 0 FIAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2cnc3ccccc3n2)C1 ZINC000095085162 221845926 /nfs/dbraw/zinc/84/59/26/221845926.db2.gz KRXAJLDAPPQYNE-OAHLLOKOSA-N 0 0 357.454 4.046 10 0 FIAERN CC(C)(C)OC(=O)N1CCC([C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000095929868 221971564 /nfs/dbraw/zinc/97/15/64/221971564.db2.gz XWCQLHPHWADJAQ-OAHLLOKOSA-N 0 0 359.388 4.386 10 0 FIAERN CN(C)C(=O)c1ccc(CSc2ccc(Br)cc2)cc1 ZINC000097045683 222155873 /nfs/dbraw/zinc/15/58/73/222155873.db2.gz BDFPWZOOFFKJAM-UHFFFAOYSA-N 0 0 350.281 4.443 10 0 FIAERN COC(=O)c1ccc(CSc2nc3cc(F)c(Cl)cc3[nH]2)cc1 ZINC000098181049 222230905 /nfs/dbraw/zinc/23/09/05/222230905.db2.gz SMFNWTNSUDQDHB-UHFFFAOYSA-N 0 0 350.802 4.434 10 0 FIAERN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H](C(C)C)C(=O)N3)cc1 ZINC000102138418 222289237 /nfs/dbraw/zinc/28/92/37/222289237.db2.gz JKIXZMVXHVCBQC-LJQANCHMSA-N 0 0 372.490 4.303 10 0 FIAERN Cc1cccc2nc(-c3cc(Br)c(Br)o3)c(N)n21 ZINC000104346018 222355742 /nfs/dbraw/zinc/35/57/42/222355742.db2.gz BBTYZZIOXMPEKF-UHFFFAOYSA-N 0 0 371.032 4.010 10 0 FIAERN O=C(NCc1cn2ccsc2n1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000105772445 222374976 /nfs/dbraw/zinc/37/49/76/222374976.db2.gz 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362.267 4.322 10 0 FIAERN CC(C)OCCNC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000012716309 220021347 /nfs/dbraw/zinc/02/13/47/220021347.db2.gz MHHKACFXRLLVKK-UHFFFAOYSA-N 0 0 372.852 4.227 10 0 FIAERN CCc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 ZINC000013132178 220058782 /nfs/dbraw/zinc/05/87/82/220058782.db2.gz RFJZIXGPVVUVCV-IRXDYDNUSA-N 0 0 353.857 4.222 10 0 FIAERN NS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1 ZINC000013477374 220069270 /nfs/dbraw/zinc/06/92/70/220069270.db2.gz POMWEKQWFYLSLU-UHFFFAOYSA-N 0 0 366.417 4.288 10 0 FIAERN CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc1 ZINC000013620658 220079204 /nfs/dbraw/zinc/07/92/04/220079204.db2.gz GVWKSUFECAWDSP-NTCAYCPXSA-N 0 0 366.461 4.219 10 0 FIAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000014429787 220124804 /nfs/dbraw/zinc/12/48/04/220124804.db2.gz VGPCCMNGZKNSAQ-JXMROGBWSA-N 0 0 351.324 4.375 10 0 FIAERN COc1c2c(cc3c1C=C(c1ccc(O)cc1O)CO3)OC(C)(C)C=C2 ZINC000014613164 220128282 /nfs/dbraw/zinc/12/82/82/220128282.db2.gz LDZFETFUTCHVSH-UHFFFAOYSA-N 0 0 352.386 4.224 10 0 biogenic FIAERN CCCCOc1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1 ZINC000014783969 220133279 /nfs/dbraw/zinc/13/32/79/220133279.db2.gz PWDPRJVTYLTROY-UHFFFAOYSA-N 0 0 358.463 4.001 10 0 FIAERN COc1ccc(NC(=O)/C=C/c2ccccc2Br)cc1OC ZINC000015589203 220156814 /nfs/dbraw/zinc/15/68/14/220156814.db2.gz GELMAMNWIJFNLQ-JXMROGBWSA-N 0 0 362.223 4.118 10 0 FIAERN CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 ZINC000019045299 220235474 /nfs/dbraw/zinc/23/54/74/220235474.db2.gz FQFOAZVQXIKFSW-UHFFFAOYSA-N 0 0 371.234 4.479 10 0 FIAERN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1-c1n[nH]cc1CC2 ZINC000020465272 220328355 /nfs/dbraw/zinc/32/83/55/220328355.db2.gz CLCIMMGJUPTNFV-UHFFFAOYSA-N 0 0 361.323 4.348 10 0 FIAERN COc1cccc([C@@H](CC(=O)N2CCc3ccccc3C2)n2cccc2)c1 ZINC000020998416 220348317 /nfs/dbraw/zinc/34/83/17/220348317.db2.gz DQRXJYDMFCLOIZ-JOCHJYFZSA-N 0 0 360.457 4.061 10 0 FIAERN Cc1ccc(OCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)cc1 ZINC000040190279 220895738 /nfs/dbraw/zinc/89/57/38/220895738.db2.gz WDCHQVWDBMDTDA-UHFFFAOYSA-N 0 0 365.477 4.086 10 0 FIAERN CCCCCCNC(=O)COc1ccc(CCC)cc1Br ZINC000040942237 220924698 /nfs/dbraw/zinc/92/46/98/220924698.db2.gz VPKZYRDBHBFTCW-UHFFFAOYSA-N 0 0 356.304 4.477 10 0 FIAERN CC(=O)Nc1ccc(Nc2ncnc(Nc3ccccc3Cl)c2N)cc1 ZINC000040781339 220921114 /nfs/dbraw/zinc/92/11/14/220921114.db2.gz QGHKVFZZNUVNSL-UHFFFAOYSA-N 0 0 368.828 4.158 10 0 FIAERN Cc1cccnc1Nc1ncnc(Nc2ccc(Br)cc2)c1N ZINC000040758040 220921425 /nfs/dbraw/zinc/92/14/25/220921425.db2.gz WCLQBVTXJSPQNI-UHFFFAOYSA-N 0 0 371.242 4.012 10 0 FIAERN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000041934594 220933881 /nfs/dbraw/zinc/93/38/81/220933881.db2.gz WTAZOOHQJYERHZ-GFCCVEGCSA-N 0 0 362.882 4.161 10 0 FIAERN Cc1nc(N)c(NC(=O)c2ccccc2)c(Sc2ccc(Cl)cc2)n1 ZINC000053994270 221049805 /nfs/dbraw/zinc/04/98/05/221049805.db2.gz YJRVCCWSOHLPED-UHFFFAOYSA-N 0 0 370.865 4.424 10 0 FIAERN CCc1nc(NC(=O)c2oc3ccc(CC)cc3c2C)sc1C(=O)OC ZINC000054644956 221053720 /nfs/dbraw/zinc/05/37/20/221053720.db2.gz JLWKXYYZTDEOIO-UHFFFAOYSA-N 0 0 372.446 4.361 10 0 FIAERN C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)c(Cl)c1 ZINC000055745464 221073859 /nfs/dbraw/zinc/07/38/59/221073859.db2.gz NNGYZNDMSSQWDU-GFCCVEGCSA-N 0 0 360.816 4.097 10 0 FIAERN CC(C)c1nccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)n1 ZINC000055341096 221067588 /nfs/dbraw/zinc/06/75/88/221067588.db2.gz LZUJYYKAYUNGKD-UHFFFAOYSA-N 0 0 350.441 4.337 10 0 FIAERN O=C(Cc1cccnc1)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 ZINC000059757732 221127342 /nfs/dbraw/zinc/12/73/42/221127342.db2.gz MOLCVCKLUPEVHP-UHFFFAOYSA-N 0 0 362.414 4.041 10 0 FIAERN CCCCC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)CO2 ZINC000065082186 221167622 /nfs/dbraw/zinc/16/76/22/221167622.db2.gz POYWGRLICGCQCK-KRWDZBQOSA-N 0 0 372.509 4.205 10 0 FIAERN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)Nc1ccccc1Cl ZINC000065297465 221197249 /nfs/dbraw/zinc/19/72/49/221197249.db2.gz OSKXESSDBSHNAY-UHFFFAOYSA-N 0 0 359.838 4.007 10 0 FIAERN O=C(Nc1cccc(F)c1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000065424923 221217680 /nfs/dbraw/zinc/21/76/80/221217680.db2.gz YYNQPNNFDXAWCE-OAHLLOKOSA-N 0 0 352.768 4.224 10 0 FIAERN CCCn1c(C)cc(-c2c(-c3ccccc3)ncn2Cc2nc[nH]n2)c1C ZINC000067739430 221278941 /nfs/dbraw/zinc/27/89/41/221278941.db2.gz WIASZQYDRKXBIO-UHFFFAOYSA-N 0 0 360.465 4.212 10 0 FIAERN Cc1ccc(C(=O)COc2ccc(I)cc2)cc1C ZINC000070133396 221332070 /nfs/dbraw/zinc/33/20/70/221332070.db2.gz VTVFMAZNNZSGAA-UHFFFAOYSA-N 0 0 366.198 4.170 10 0 FIAERN C[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000071943534 221389280 /nfs/dbraw/zinc/38/92/80/221389280.db2.gz IZADLYGVBTYCOM-AWEZNQCLSA-N 0 0 354.841 4.468 10 0 FIAERN O=C(c1ccc2c(c1)CCCC2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000072005463 221395309 /nfs/dbraw/zinc/39/53/09/221395309.db2.gz RMAWCCSAXUNBDP-HXUWFJFHSA-N 0 0 355.865 4.433 10 0 FIAERN O=C1CCN(c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073679021 132376708 /nfs/dbraw/zinc/37/67/08/132376708.db2.gz FXUGLFRLTYAVLE-UHFFFAOYSA-N 0 0 364.836 4.028 10 0 FIAERN O=C(c1c(Cl)ccc(Cl)c1Cl)N1CC(=O)Nc2ccccc21 ZINC000003071294 132384805 /nfs/dbraw/zinc/38/48/05/132384805.db2.gz IMBNYMRYLZITDU-UHFFFAOYSA-N 0 0 355.608 4.246 10 0 FIAERN Clc1cccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1 ZINC000020940455 132899364 /nfs/dbraw/zinc/89/93/64/132899364.db2.gz DZGXRHIQXADSDH-UHFFFAOYSA-N 0 0 359.260 4.263 10 0 FIAERN CC(C)C(=O)Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000037545340 136118415 /nfs/dbraw/zinc/11/84/15/136118415.db2.gz WZNNNBNGBDUSNE-UHFFFAOYSA-N 0 0 369.440 4.253 10 0 FIAERN CSc1nccc(OCCC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000095076732 221844795 /nfs/dbraw/zinc/84/47/95/221844795.db2.gz KQUUJEPUHKYKFR-CQSZACIVSA-N 0 0 367.515 4.147 10 0 FIAERN O=C1c2n[nH]c(-c3cccs3)c2[C@@H](c2ccccc2)N1c1nccs1 ZINC000096336149 222116722 /nfs/dbraw/zinc/11/67/22/222116722.db2.gz OUKOFCKWDJNYNL-MRXNPFEDSA-N 0 0 364.455 4.345 10 0 FIAERN O=C(Nc1ccc2c(c1)CCC2)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096438952 222120104 /nfs/dbraw/zinc/12/01/04/222120104.db2.gz MGGOZGXOPJLAGX-YVMONPNESA-N 0 0 361.489 4.038 10 0 FIAERN CC[C@@H](C)[C@H](c1nnc(I)s1)c1ccccc1 ZINC000103922739 222345591 /nfs/dbraw/zinc/34/55/91/222345591.db2.gz LBMLCWDKBKQOFH-KOLCDFICSA-N 0 0 358.248 4.321 10 0 FIAERN FC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1Br ZINC000102236746 222292817 /nfs/dbraw/zinc/29/28/17/222292817.db2.gz KOLUPXGEMPYVKB-UHFFFAOYSA-N 0 0 350.525 4.317 10 0 FIAERN CC(C)[C@@H](C)NC(=O)CNc1c(Cl)cc(Br)cc1Cl ZINC000104000505 222348176 /nfs/dbraw/zinc/34/81/76/222348176.db2.gz FGTWFXVJZGJGPI-MRVPVSSYSA-N 0 0 368.102 4.329 10 0 FIAERN CCCc1c(Cl)ncnc1Oc1cccc(I)c1 ZINC000104212237 222352531 /nfs/dbraw/zinc/35/25/31/222352531.db2.gz DFIZBHRNNCKLKW-UHFFFAOYSA-N 0 0 374.609 4.479 10 0 FIAERN COC(=O)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl ZINC000105750234 222374627 /nfs/dbraw/zinc/37/46/27/222374627.db2.gz AJELAYAGTRJBOR-VQIMIIECSA-N 0 0 371.864 4.181 10 0 FIAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)nnn1-c1ccc(F)cc1 ZINC000105930136 222379684 /nfs/dbraw/zinc/37/96/84/222379684.db2.gz FUGHAEHPGBAYRZ-LJQANCHMSA-N 0 0 364.424 4.001 10 0 FIAERN O=C(CCc1ccc(F)c(F)c1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000105981163 222380822 /nfs/dbraw/zinc/38/08/22/222380822.db2.gz TVXOCVVIDANCPX-UHFFFAOYSA-N 0 0 359.294 4.477 10 0 FIAERN O=C(Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1)c1cccnc1 ZINC000106063546 222382003 /nfs/dbraw/zinc/38/20/03/222382003.db2.gz SHRFDTAJAWPIKV-NRFANRHFSA-N 0 0 371.440 4.141 10 0 FIAERN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000008208510 263353032 /nfs/dbraw/zinc/35/30/32/263353032.db2.gz FMJAPISNDPETIY-HXUWFJFHSA-N 0 0 365.408 4.273 10 0 FIAERN C[C@H](Nc1ccc(-n2cncn2)c(F)c1)c1ccc(Br)s1 ZINC000038003505 263399389 /nfs/dbraw/zinc/39/93/89/263399389.db2.gz AOTVYXUTAXIIHU-VIFPVBQESA-N 0 0 367.247 4.404 10 0 FIAERN Cc1ccc(-c2cc(=O)[nH]c(NCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000057342143 263412624 /nfs/dbraw/zinc/41/26/24/263412624.db2.gz QFHGUHXFUUSPOK-UHFFFAOYSA-N 0 0 359.351 4.376 10 0 FIAERN Cc1cc(Cl)nc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000085333191 524919167 /nfs/dbraw/zinc/91/91/67/524919167.db2.gz IRKFKKYTTHZCSY-GFCCVEGCSA-N 0 0 357.907 4.320 10 0 FIAERN O=C(OCc1ccccc1)N1CCCC[C@@H]1COC(F)(F)C(F)(F)F ZINC000091252513 526427212 /nfs/dbraw/zinc/42/72/12/526427212.db2.gz IQVLWCGOQKTESS-CYBMUJFWSA-N 0 0 367.314 4.349 10 0 FIAERN FC(F)(F)c1cc(-c2cc3c(cc2Br)OCCCO3)n[nH]1 ZINC000390824259 527679917 /nfs/dbraw/zinc/67/99/17/527679917.db2.gz KRISNWQSQUPWMN-UHFFFAOYSA-N 0 0 363.133 4.019 10 0 FIAERN COc1ccccc1N1CCN(C(=O)/C=C\c2ccc(C(C)C)cc2)CC1 ZINC000033340177 537062562 /nfs/dbraw/zinc/06/25/62/537062562.db2.gz UYHYUJJTYSDGIW-RAXLEYEMSA-N 0 0 364.489 4.181 10 0 FIAERN CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000001848699 560184978 /nfs/dbraw/zinc/18/49/78/560184978.db2.gz VQHQLBARMFAKSV-BDHVOXNPSA-N 0 0 356.462 4.400 10 0 in-vitro FIAERN c1ccc(CNc2nc3ccccc3c3nnc(Cc4ccccc4)n32)cc1 ZINC000034699821 567868387 /nfs/dbraw/zinc/86/83/87/567868387.db2.gz QQFQTVYBZZNCRI-UHFFFAOYSA-N 0 0 365.440 4.480 10 0 FIAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000330259200 567907171 /nfs/dbraw/zinc/90/71/71/567907171.db2.gz RWARTQPBPYMTTD-JXFKEZNVSA-N 0 0 360.461 4.133 10 0 FIAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000188551201 567924824 /nfs/dbraw/zinc/92/48/24/567924824.db2.gz BHGGFMKGHXSJLU-CZUORRHYSA-N 0 0 360.841 4.068 10 0 FIAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc4nc(C)ccc4c3)C2)n1 ZINC000162109591 567984811 /nfs/dbraw/zinc/98/48/11/567984811.db2.gz NJGHZPRTVOUQJW-QGZVFWFLSA-N 0 0 351.475 4.328 10 0 FIAERN CC[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc2c(c1)CCO2 ZINC000188608016 567987646 /nfs/dbraw/zinc/98/76/46/567987646.db2.gz KWMKHPSBKOSPID-HXUWFJFHSA-N 0 0 374.488 4.313 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000162637306 567999160 /nfs/dbraw/zinc/99/91/60/567999160.db2.gz GZKATJPNQAUVLJ-FCHUYYIVSA-N 0 0 373.500 4.158 10 0 FIAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@H]3CCC[C@H]32)cc1 ZINC000330265024 568033750 /nfs/dbraw/zinc/03/37/50/568033750.db2.gz YQZACRQBWNNBOB-GPMSIDNRSA-N 0 0 355.482 4.108 10 0 FIAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cnn(-c3ccccn3)c2C)o1 ZINC000128599316 568065408 /nfs/dbraw/zinc/06/54/08/568065408.db2.gz PKPIOSRCENHARZ-GOSISDBHSA-N 0 0 364.449 4.099 10 0 FIAERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000021052368 568072093 /nfs/dbraw/zinc/07/20/93/568072093.db2.gz RFHNNTTWSKXZBN-NSHDSACASA-N 0 0 354.269 4.026 10 0 FIAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121562344 568094839 /nfs/dbraw/zinc/09/48/39/568094839.db2.gz MOAZRKIDELWXTP-BBATYDOGSA-N 0 0 367.276 4.242 10 0 FIAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cc(F)ccc2OC(C)C)C1 ZINC000150836621 568205817 /nfs/dbraw/zinc/20/58/17/568205817.db2.gz RSKFJDWNIRSAIT-INIZCTEOSA-N 0 0 374.460 4.241 10 0 FIAERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1c(Cl)ccc(F)c1Cl ZINC000408283893 568307194 /nfs/dbraw/zinc/30/71/94/568307194.db2.gz QGWYECYAIPCPTA-QLJPJBMISA-N 0 0 363.260 4.140 10 0 FIAERN O=C(Nc1ccccc1-c1ccccc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111706140 568671610 /nfs/dbraw/zinc/67/16/10/568671610.db2.gz LZLOSRUYHJDMCK-GOSISDBHSA-N 0 0 365.458 4.416 10 0 FIAERN Cc1cc2cc(NC(=O)c3cnn(-c4ccc(F)cc4F)c3)ccc2[nH]1 ZINC000158053149 570450796 /nfs/dbraw/zinc/45/07/96/570450796.db2.gz DGNUIURWXWETSI-UHFFFAOYSA-N 0 0 352.344 4.193 10 0 FIAERN Brc1cc([C@H]2NCCc3ccsc32)oc1Br ZINC000712501114 570532590 /nfs/dbraw/zinc/53/25/90/570532590.db2.gz OICUWPTYJASMSP-SECBINFHSA-N 0 0 363.074 4.101 10 0 FIAERN Brc1cc([C@@H]2NCCc3ccsc32)oc1Br ZINC000712501116 570532769 /nfs/dbraw/zinc/53/27/69/570532769.db2.gz OICUWPTYJASMSP-VIFPVBQESA-N 0 0 363.074 4.101 10 0 FIAERN COc1cc(/C=C/C(=O)OC(C)(C)C)ccc1OCc1c(C)noc1C ZINC000725273959 570543378 /nfs/dbraw/zinc/54/33/78/570543378.db2.gz YYWPSKPKDLDYSO-CSKARUKUSA-N 0 0 359.422 4.234 10 0 FIAERN CNC(=O)c1sc2nc(-c3cccc(F)c3)c(NC3CCCC3)n2c1C ZINC000064761166 570774685 /nfs/dbraw/zinc/77/46/85/570774685.db2.gz NDTCRFVTHFUJOY-UHFFFAOYSA-N 0 0 372.469 4.224 10 0 FIAERN COc1ccc(-c2ccc3c(c2)c(-c2ccccc2F)nc(=O)n3C)cc1 ZINC000026522285 571006273 /nfs/dbraw/zinc/00/62/73/571006273.db2.gz YKFHFIOYZQVRDP-UHFFFAOYSA-N 0 0 360.388 4.415 10 0 FIAERN Fc1ccc(CN(Cc2ccc(-c3cc[nH]n3)o2)Cc2ccncc2)cc1 ZINC000055575389 571121060 /nfs/dbraw/zinc/12/10/60/571121060.db2.gz QZRSUYHFVSRCHO-UHFFFAOYSA-N 0 0 362.408 4.406 10 0 FIAERN CC[C@@H](O)C[N@H+](CCOC)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000004716870 571167591 /nfs/dbraw/zinc/16/75/91/571167591.db2.gz RAVWXDRCQYLJAP-JOCHJYFZSA-N 0 0 372.553 4.053 10 0 FIAERN CC1(C)CCn2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)nc2C1 ZINC000536951920 571208260 /nfs/dbraw/zinc/20/82/60/571208260.db2.gz ZWMVGGDMIXMRIV-UHFFFAOYSA-N 0 0 360.457 4.462 10 0 FIAERN C[C@H](C(=O)Nc1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847677 571244415 /nfs/dbraw/zinc/24/44/15/571244415.db2.gz IZISQKKDUKCKTK-HNNXBMFYSA-N 0 0 369.440 4.344 10 0 FIAERN O=C1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)c3ccsc32)S1 ZINC000498049336 571272454 /nfs/dbraw/zinc/27/24/54/571272454.db2.gz NUZJKSMUMCMIJF-MRXNPFEDSA-N 0 0 369.467 4.374 10 0 FIAERN CC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000048524155 571308676 /nfs/dbraw/zinc/30/86/76/571308676.db2.gz VFJYUVJSRASTTB-GOSISDBHSA-N 0 0 350.805 4.148 10 0 FIAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000246219922 1080424363 /nfs/dbraw/zinc/42/43/63/1080424363.db2.gz LFNRVVVGHMACLS-PMPSAXMXSA-N 0 0 371.485 4.012 10 0 FIAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000152095894 1080456575 /nfs/dbraw/zinc/45/65/75/1080456575.db2.gz UYGIDKWUBMYNDT-IGCXYCKISA-N 0 0 363.889 4.227 10 0 FIAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc3c(ccc4ccccc34)[nH]1)C2 ZINC000112666426 1080507034 /nfs/dbraw/zinc/50/70/34/1080507034.db2.gz WUBCOWRBRPQCBP-UHFFFAOYSA-N 0 0 372.472 4.377 10 0 FIAERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CC2)cn1 ZINC000119010694 1082086392 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ZINC000015864017 220170045 /nfs/dbraw/zinc/17/00/45/220170045.db2.gz VIMYIFWTAOQOFW-UHFFFAOYSA-N 0 0 350.487 4.407 10 0 FIAERN CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)C1 ZINC000020609554 220336067 /nfs/dbraw/zinc/33/60/67/220336067.db2.gz ZKPZUEZMDANRRV-DXAMHKDYSA-N 0 0 363.457 4.029 10 0 FIAERN COc1cccc([C@H](C)Nc2ccccc2I)c1 ZINC000020480054 220327310 /nfs/dbraw/zinc/32/73/10/220327310.db2.gz GFFYNMXJWKXPOY-NSHDSACASA-N 0 0 353.203 4.473 10 0 FIAERN C[C@H](Nc1ccccc1I)c1ccc2c(c1)OCO2 ZINC000020480041 220327625 /nfs/dbraw/zinc/32/76/25/220327625.db2.gz UHOSUXUXQWJFEI-JTQLQIEISA-N 0 0 367.186 4.193 10 0 FIAERN Cc1cc(=O)c2cc(C(=O)Nc3ccnc4ccc(Cl)cc43)ccc2[nH]1 ZINC000032605059 220666233 /nfs/dbraw/zinc/66/62/33/220666233.db2.gz ZIJGYEQWJLEHKV-UHFFFAOYSA-N 0 0 363.804 4.290 10 0 FIAERN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)NC(=O)C(C)(C)NC=O ZINC000035086283 220771765 /nfs/dbraw/zinc/77/17/65/220771765.db2.gz REFAXTQPTQFEPN-VIHMKRCTSA-N 0 0 371.308 4.062 10 0 FIAERN Cn1nc(C(=O)NCCCc2ccccc2)c2c1-c1ccccc1SC2 ZINC000035534891 220788728 /nfs/dbraw/zinc/78/87/28/220788728.db2.gz YTJKHKIJELXMSO-UHFFFAOYSA-N 0 0 363.486 4.055 10 0 FIAERN CC(C)(C)CC(=O)Nc1c(N)cc(Br)cc1Br ZINC000036737365 220827701 /nfs/dbraw/zinc/82/77/01/220827701.db2.gz XFFROMGXRLDTQT-UHFFFAOYSA-N 0 0 364.081 4.169 10 0 FIAERN O=C(c1ccc(I)cc1)c1ccccc1OC(F)F ZINC000037357659 220835009 /nfs/dbraw/zinc/83/50/09/220835009.db2.gz MACBMNBCKKLPCT-UHFFFAOYSA-N 0 0 374.124 4.124 10 0 FIAERN COc1ccc(C(=O)NCCc2nc3ccccc3n2CCC(C)C)cc1 ZINC000040200255 220895142 /nfs/dbraw/zinc/89/51/42/220895142.db2.gz KVVPZWHJFCFTND-UHFFFAOYSA-N 0 0 365.477 4.064 10 0 FIAERN O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)c1ccccn1 ZINC000040176158 220895699 /nfs/dbraw/zinc/89/56/99/220895699.db2.gz POEMGKQUJSZTJL-UHFFFAOYSA-N 0 0 374.469 4.283 10 0 FIAERN Cc1cccc(OCCn2c(CNC(=O)C(C)(C)C)nc3ccccc32)c1 ZINC000040190274 220895753 /nfs/dbraw/zinc/89/57/53/220895753.db2.gz CWPOHVDASBNYKC-UHFFFAOYSA-N 0 0 365.477 4.086 10 0 FIAERN C/C=C/c1ccc(OCCn2c3cc(C)c(C)cc3nc2CO)c(OC)c1 ZINC000040308947 220899816 /nfs/dbraw/zinc/89/98/16/220899816.db2.gz MISDGFKADIWCPB-AATRIKPKSA-N 0 0 366.461 4.266 10 0 FIAERN COc1ccc(Cl)cc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040702365 220916648 /nfs/dbraw/zinc/91/66/48/220916648.db2.gz XPFYYFDNVHSLQI-UHFFFAOYSA-N 0 0 355.829 4.232 10 0 FIAERN Cc1c(Cl)cccc1Nc1ncnc(-n2cnc3ccccc32)c1N ZINC000040701684 220916952 /nfs/dbraw/zinc/91/69/52/220916952.db2.gz NCKYHYGQIVZDRK-UHFFFAOYSA-N 0 0 350.813 4.103 10 0 FIAERN CCCOc1ccc2nc(NC(=O)c3c(OC)cccc3OC)sc2c1 ZINC000040978542 220927051 /nfs/dbraw/zinc/92/70/51/220927051.db2.gz YAUYLAAZEQLXEP-UHFFFAOYSA-N 0 0 372.446 4.355 10 0 FIAERN Cc1ccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)nc1 ZINC000040798843 220921808 /nfs/dbraw/zinc/92/18/08/220921808.db2.gz HECOPVRVEADREO-UHFFFAOYSA-N 0 0 360.343 4.268 10 0 FIAERN C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2 ZINC000048252654 221003154 /nfs/dbraw/zinc/00/31/54/221003154.db2.gz MTCIRECZUCGATQ-NSHDSACASA-N 0 0 369.494 4.146 10 0 FIAERN Nc1nc(CSc2ccccc2Br)nc2sccc21 ZINC000050837921 221033632 /nfs/dbraw/zinc/03/36/32/221033632.db2.gz XYUDGLGBKBJGDU-UHFFFAOYSA-N 0 0 352.282 4.328 10 0 FIAERN O[C@H]1CCCCC[C@@H]1Nc1ccc(Br)cc1Br ZINC000049163336 221020928 /nfs/dbraw/zinc/02/09/28/221020928.db2.gz PWESNRGYGYPSNB-STQMWFEESA-N 0 0 363.093 4.317 10 0 FIAERN Cc1cccc(C)c1Oc1ncccc1CNCc1nc(C)c(C)nc1C ZINC000055166285 221060842 /nfs/dbraw/zinc/06/08/42/221060842.db2.gz RFGCICODEPVOLM-UHFFFAOYSA-N 0 0 362.477 4.496 10 0 FIAERN CCC(=O)Nc1cccc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000055419337 221069986 /nfs/dbraw/zinc/06/99/86/221069986.db2.gz ILPMASULRMTDJQ-QFIPXVFZSA-N 0 0 373.456 4.292 10 0 FIAERN CC[C@@H](NCc1cnc(-c2ccc3ccccc3c2)nc1)c1nc(C)no1 ZINC000055414013 221069074 /nfs/dbraw/zinc/06/90/74/221069074.db2.gz IBJLFINPWZARNI-LJQANCHMSA-N 0 0 359.433 4.229 10 0 FIAERN O[C@H](Cc1ccccc1Cl)c1ccccc1I ZINC000062137270 221139536 /nfs/dbraw/zinc/13/95/36/221139536.db2.gz SDRYENBXVMNVBP-CQSZACIVSA-N 0 0 358.606 4.221 10 0 FIAERN Cc1ccccc1-c1noc(C2CCN(C(=O)/C=C/c3ccco3)CC2)n1 ZINC000064818368 221152476 /nfs/dbraw/zinc/15/24/76/221152476.db2.gz NVWJTXRUOXWMFL-CMDGGOBGSA-N 0 0 363.417 4.057 10 0 FIAERN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)NCc1cccc(F)c1 ZINC000065230249 221183039 /nfs/dbraw/zinc/18/30/39/221183039.db2.gz CBIPCUVCRBYAOL-UHFFFAOYSA-N 0 0 372.465 4.097 10 0 FIAERN Cn1cc(-c2nc(C(=O)Nc3cccc(F)c3)cs2)c2cccnc21 ZINC000065241038 221184448 /nfs/dbraw/zinc/18/44/48/221184448.db2.gz XIYOXPQHJXWXRA-UHFFFAOYSA-N 0 0 352.394 4.088 10 0 FIAERN COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2cccs2)cc1 ZINC000065171147 221174371 /nfs/dbraw/zinc/17/43/71/221174371.db2.gz PPOSXBDPAQIJEL-UHFFFAOYSA-N 0 0 352.459 4.366 10 0 FIAERN Cc1sc2c(ncn(CC3CC3)c2=O)c1C(=O)Nc1cc(C)ccc1C ZINC000065297843 221196774 /nfs/dbraw/zinc/19/67/74/221196774.db2.gz ZJNFICGCBFXNJR-UHFFFAOYSA-N 0 0 367.474 4.046 10 0 FIAERN Cc1sc2c(ncn(C3CC3)c2=O)c1C(=O)Nc1ccc(Cl)cc1 ZINC000065297470 221197524 /nfs/dbraw/zinc/19/75/24/221197524.db2.gz FLUIJFBSUHRSSK-UHFFFAOYSA-N 0 0 359.838 4.007 10 0 FIAERN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(Br)c1 ZINC000071860451 221383564 /nfs/dbraw/zinc/38/35/64/221383564.db2.gz NZOHIQILADNFBJ-LBPRGKRZSA-N 0 0 357.251 4.350 10 0 FIAERN CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1N1CCC(=O)CC1 ZINC000073679056 132376702 /nfs/dbraw/zinc/37/67/02/132376702.db2.gz QFEJOSMXOJVZEP-UHFFFAOYSA-N 0 0 363.383 4.203 10 0 FIAERN CCOc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1 ZINC000040780119 132948801 /nfs/dbraw/zinc/94/88/01/132948801.db2.gz JNNIFEAEJRUZJC-UHFFFAOYSA-N 0 0 361.449 4.285 10 0 FIAERN Cc1ccc(OCCCC(=O)NC(=S)N2CCCc3ccccc32)cc1 ZINC000040900750 136120587 /nfs/dbraw/zinc/12/05/87/136120587.db2.gz ZQZQRLMQKZTYPN-UHFFFAOYSA-N 0 0 368.502 4.008 10 0 FIAERN C[C@@H](Sc1ncccc1Br)C(=O)c1ccc(F)cc1F ZINC000078772523 221677170 /nfs/dbraw/zinc/67/71/70/221677170.db2.gz CFBVNCIEEKAFSB-MRVPVSSYSA-N 0 0 358.207 4.486 10 0 FIAERN NC(=O)N(c1ccccc1Br)c1ccccc1Br ZINC000095932062 221972270 /nfs/dbraw/zinc/97/22/70/221972270.db2.gz KDLGRVOMQUGNRO-UHFFFAOYSA-N 0 0 370.044 4.428 10 0 FIAERN C[C@@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1ccc(C(C)(C)C)cc1 ZINC000097464094 222181751 /nfs/dbraw/zinc/18/17/51/222181751.db2.gz DTYMBKVOFONFJJ-CYBMUJFWSA-N 0 0 367.449 4.198 10 0 FIAERN Cc1cc(Br)ccc1-c1nnc2ccc(Br)cn21 ZINC000098180277 222230747 /nfs/dbraw/zinc/23/07/47/222230747.db2.gz VUCKSJKYFISCDP-UHFFFAOYSA-N 0 0 367.044 4.230 10 0 FIAERN O[C@H]1CCCc2c1ccn2-c1cc(Br)ccc1Br ZINC000103983093 222346797 /nfs/dbraw/zinc/34/67/97/222346797.db2.gz XAWAVNCAJRBLEX-AWEZNQCLSA-N 0 0 371.072 4.372 10 0 FIAERN C[N@@H+]1CCCC[C@@H]1CNc1cc(Br)ccc1Br ZINC000104027344 222348518 /nfs/dbraw/zinc/34/85/18/222348518.db2.gz VMRYNGYBGJSPBM-LLVKDONJSA-N 0 0 362.109 4.108 10 0 FIAERN CC(C)c1cccc(N2C[C@H](C(=O)Nc3cc(F)ccc3F)CC2=O)c1 ZINC000105769630 222374765 /nfs/dbraw/zinc/37/47/65/222374765.db2.gz FQKJEHKRXDSDBO-CQSZACIVSA-N 0 0 358.388 4.080 10 0 FIAERN O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCO3)N1Cc1ccccc1 ZINC000004960514 263337591 /nfs/dbraw/zinc/33/75/91/263337591.db2.gz VBUYQTQIGSRZBZ-NRFANRHFSA-N 0 0 358.397 4.182 10 0 FIAERN CC(=O)c1cc(CNCc2cccnc2N2CCCCCCC2)cs1 ZINC000011818284 263368056 /nfs/dbraw/zinc/36/80/56/263368056.db2.gz FVZKKUCYEWYFIR-UHFFFAOYSA-N 0 0 357.523 4.406 10 0 FIAERN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(Cl)c2[nH]cnc21 ZINC000261508865 526379156 /nfs/dbraw/zinc/37/91/56/526379156.db2.gz XUIQPZVHPKQTQP-UHFFFAOYSA-N 0 0 368.821 4.288 10 0 FIAERN Clc1nc2cccnc2n2nc(-c3ccc(Br)s3)cc12 ZINC000228998263 527008451 /nfs/dbraw/zinc/00/84/51/527008451.db2.gz OJMLMMNQSZFLHJ-UHFFFAOYSA-N 0 0 365.643 4.422 10 0 FIAERN Cc1nn(C(=O)CCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc12 ZINC000020464390 527574630 /nfs/dbraw/zinc/57/46/30/527574630.db2.gz HTXLEKYNSJMLHW-HDMKZQKVSA-N 0 0 355.482 4.096 10 0 FIAERN CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000003977844 560191979 /nfs/dbraw/zinc/19/19/79/560191979.db2.gz VQHQLBARMFAKSV-YXIAPDDASA-N 0 0 356.462 4.400 10 0 in-vitro FIAERN FC(F)n1ccnc1CN[C@@H]1CCCOc2c(Br)cccc21 ZINC000162235022 567995201 /nfs/dbraw/zinc/99/52/01/567995201.db2.gz PXJQKFYMABFARF-GFCCVEGCSA-N 0 0 372.213 4.044 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000162655258 568001715 /nfs/dbraw/zinc/00/17/15/568001715.db2.gz XPKONQKSEZBLPL-FGZHOGPDSA-N 0 0 373.500 4.158 10 0 FIAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000162655623 568001956 /nfs/dbraw/zinc/00/19/56/568001956.db2.gz XPKONQKSEZBLPL-VXKWHMMOSA-N 0 0 373.500 4.158 10 0 FIAERN Cc1nnc([C@H](N[C@@H](C)c2ccccc2OC(F)F)c2ccccc2)[nH]1 ZINC000162531131 568028240 /nfs/dbraw/zinc/02/82/40/568028240.db2.gz XLSKTPDUCZIISY-YVEFUNNKSA-N 0 0 358.392 4.155 10 0 FIAERN CC(C)Sc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000162558065 568039303 /nfs/dbraw/zinc/03/93/03/568039303.db2.gz PQORZQPLLLGQHG-UHFFFAOYSA-N 0 0 357.523 4.016 10 0 FIAERN Cc1ccc(Cn2c3nnc(-c4ccccc4)n3c3ccccc3c2=O)cc1 ZINC000006781155 568041490 /nfs/dbraw/zinc/04/14/90/568041490.db2.gz WCUBQTHNJVBJIH-UHFFFAOYSA-N 0 0 366.424 4.068 10 0 FIAERN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)cc2c1 ZINC000408261379 568218303 /nfs/dbraw/zinc/21/83/03/568218303.db2.gz OFEWTCABSGHVFI-RGGPELTISA-N 0 0 366.505 4.253 10 0 FIAERN c1cn(CCn2cncn2)nc1-c1cccc(-c2cncc3ccccc32)c1 ZINC000023581026 570965530 /nfs/dbraw/zinc/96/55/30/570965530.db2.gz DDJJHANFHGOQKD-UHFFFAOYSA-N 0 0 366.428 4.057 10 0 FIAERN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)C2CCCCC2)cc1 ZINC000046915572 571143088 /nfs/dbraw/zinc/14/30/88/571143088.db2.gz NUTWEHYPUQSNIQ-UHFFFAOYSA-N 0 0 362.477 4.103 10 0 FIAERN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(N(C)C)cc2)n1 ZINC000006785990 571180143 /nfs/dbraw/zinc/18/01/43/571180143.db2.gz VUZHOJLSFXANKT-UHFFFAOYSA-N 0 0 358.449 4.242 10 0 FIAERN COc1cccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccccc3)CC2)c1 ZINC000037559507 571287822 /nfs/dbraw/zinc/28/78/22/571287822.db2.gz HXTDYZVRMKMUSB-UHFFFAOYSA-N 0 0 366.505 4.349 10 0 FIAERN CCN(CC)c1ccc2c(c1)oc(=O)c(C=O)c2-c1ccc(OC)cc1 ZINC000218573971 571292373 /nfs/dbraw/zinc/29/23/73/571292373.db2.gz GOYKALWTTJFRLM-UHFFFAOYSA-N 0 0 351.402 4.127 10 0 FIAERN C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)CCCC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 ZINC000077286778 571320960 /nfs/dbraw/zinc/32/09/60/571320960.db2.gz UHNJFKWDKXQBLU-DHHRPGCOSA-N 0 0 370.533 4.322 10 0 in-vitro FIAERN COc1ccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2c1 ZINC000002956044 571342940 /nfs/dbraw/zinc/34/29/40/571342940.db2.gz RHGIXLQXYKYPPD-UHFFFAOYSA-N 0 0 369.377 4.203 10 0 FIAERN