smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=C[C@H]1[C@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C ZINC000000001033 208548332 /nfs/dbraw/zinc/54/83/32/208548332.db2.gz VEMKTZHHVJILDY-VQTJNVASSA-N 0 0 338.447 5.152 50 0 in-man EKAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000001188 208548324 /nfs/dbraw/zinc/54/83/24/208548324.db2.gz ZFSXZJXLKAJIGS-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 in-man EKAARN COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1 ZINC000000001568 201422992 /nfs/dbraw/zinc/42/29/92/201422992.db2.gz SRETXDDCKMOQNE-UHFFFAOYSA-N 0 0 329.399 5.519 50 0 in-man EKAARN CN(C)c1ccc(-c2cnc(-c3ccccc3-c3ccccc3)o2)cc1 ZINC000000003460 563921660 /nfs/dbraw/zinc/92/16/60/563921660.db2.gz XUJHCPZIDQJBAA-UHFFFAOYSA-N 0 0 340.426 5.742 50 0 EKAARN Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc32)cc1 ZINC000000007460 208548958 /nfs/dbraw/zinc/54/89/58/208548958.db2.gz YCOYDOIWSSHVCK-UHFFFAOYSA-N 0 0 346.821 5.013 50 0 investigational EKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccs1 ZINC000000009117 524932816 /nfs/dbraw/zinc/93/28/16/524932816.db2.gz UHMIRDSPQBODCP-YJBOKZPZSA-N 0 0 348.471 5.340 50 0 EKAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1C ZINC000000018188 563211457 /nfs/dbraw/zinc/21/14/57/563211457.db2.gz CFKYFEHMDJSELT-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN COc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000000027615 208551148 /nfs/dbraw/zinc/55/11/48/208551148.db2.gz FBPIHVVAHJTNMC-UHFFFAOYSA-N 0 0 333.412 5.138 50 0 EKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2ccccc21 ZINC000000028126 563211614 /nfs/dbraw/zinc/21/16/14/563211614.db2.gz SYPLKSHZHGOFHR-UHFFFAOYSA-N 0 0 346.213 5.164 50 0 EKAARN CC[C@H](C(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 ZINC000000028426 563211599 /nfs/dbraw/zinc/21/15/99/563211599.db2.gz HRBDFGAUYAQPPT-KRWDZBQOSA-N 0 0 336.460 5.251 50 0 EKAARN CC[C@@H](C(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 ZINC000000028427 208550957 /nfs/dbraw/zinc/55/09/57/208550957.db2.gz HRBDFGAUYAQPPT-QGZVFWFLSA-N 0 0 336.460 5.251 50 0 EKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1[C@H]1CCC(C)=C[C@@H]1C ZINC000000028985 525221360 /nfs/dbraw/zinc/22/13/60/525221360.db2.gz QSUPTRRWODEWFH-SPEDKVCISA-N 0 0 346.474 5.386 50 0 EKAARN CC(C)c1ccc(NC(=O)CSc2cccc3cccnc32)cc1 ZINC000000031354 563211726 /nfs/dbraw/zinc/21/17/26/563211726.db2.gz GQUNIVIAKFZNTJ-UHFFFAOYSA-N 0 0 336.460 5.089 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000031491 563967572 /nfs/dbraw/zinc/96/75/72/563967572.db2.gz RGFYWKFTWCFKRY-CYBMUJFWSA-N 0 0 333.884 5.584 50 0 EKAARN CC[C@H](C)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000031492 563967570 /nfs/dbraw/zinc/96/75/70/563967570.db2.gz RGFYWKFTWCFKRY-ZDUSSCGKSA-N 0 0 333.884 5.584 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000000031497 563967564 /nfs/dbraw/zinc/96/75/64/563967564.db2.gz MLADDSYTCKVRIR-CQSZACIVSA-N 0 0 347.911 5.725 50 0 EKAARN CC[C@H](C)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000000031498 563967566 /nfs/dbraw/zinc/96/75/66/563967566.db2.gz MLADDSYTCKVRIR-AWEZNQCLSA-N 0 0 347.911 5.725 50 0 EKAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1Cl ZINC000000031538 563967559 /nfs/dbraw/zinc/96/75/59/563967559.db2.gz DAUHLVDAQLTCOY-UHFFFAOYSA-N 0 0 336.865 5.038 50 0 EKAARN FC(F)(F)C1=Nc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1 ZINC000000031932 527662345 /nfs/dbraw/zinc/66/23/45/527662345.db2.gz PDJGRNYTDBNKCU-UHFFFAOYSA-N 0 0 345.151 5.780 50 0 EKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000000031975 563211724 /nfs/dbraw/zinc/21/17/24/563211724.db2.gz MAZLGPABDQAWAG-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN Fc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000000032439 563211784 /nfs/dbraw/zinc/21/17/84/563211784.db2.gz NEJQZBMSGKKLNA-UHFFFAOYSA-N 0 0 348.493 5.262 50 0 EKAARN FC(F)(F)Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000000032570 563211799 /nfs/dbraw/zinc/21/17/99/563211799.db2.gz OJAURKNHTQRPOD-UHFFFAOYSA-N 0 0 338.716 5.530 50 0 EKAARN O=C(Nc1ccc2c(c1)CCC2)c1sc2ccccc2c1Cl ZINC000000032674 563211770 /nfs/dbraw/zinc/21/17/70/563211770.db2.gz UFECYYZBQCKPKR-UHFFFAOYSA-N 0 0 327.836 5.296 50 0 EKAARN CCCc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccn1 ZINC000000032915 563211796 /nfs/dbraw/zinc/21/17/96/563211796.db2.gz FYCNBEGGRGPPBC-UHFFFAOYSA-N 0 0 349.286 6.131 50 0 EKAARN c1csc(C2=CC(c3cccs3)=NN=C(c3cccs3)C2)c1 ZINC000000033437 563211775 /nfs/dbraw/zinc/21/17/75/563211775.db2.gz LOWDKVALUFNYEY-UHFFFAOYSA-N 0 0 340.498 5.552 50 0 EKAARN CCOc1ccc([C@@H]2Nc3ccccc3C(CC)(CC)O2)cc1OC ZINC000000033653 563967769 /nfs/dbraw/zinc/96/77/69/563967769.db2.gz MBESGPPOUMTCCH-HXUWFJFHSA-N 0 0 341.451 5.250 50 0 EKAARN CCOc1ccc([C@H]2Nc3ccccc3C(CC)(CC)O2)cc1OC ZINC000000033654 563964177 /nfs/dbraw/zinc/96/41/77/563964177.db2.gz MBESGPPOUMTCCH-FQEVSTJZSA-N 0 0 341.451 5.250 50 0 EKAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000033722 520573121 /nfs/dbraw/zinc/57/31/21/520573121.db2.gz CZJGMXUGKIQDNL-HSZRJFAPSA-N 0 0 345.442 5.415 50 0 EKAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1 ZINC000000033723 520545751 /nfs/dbraw/zinc/54/57/51/520545751.db2.gz CZJGMXUGKIQDNL-QHCPKHFHSA-N 0 0 345.442 5.415 50 0 EKAARN Cc1ccc(Sc2ccc3c(c2)Oc2ccccc2NC3=O)cc1 ZINC000000033821 563967788 /nfs/dbraw/zinc/96/77/88/563967788.db2.gz MFZOKOKGBKZBPP-UHFFFAOYSA-N 0 0 333.412 5.504 50 0 EKAARN Nc1cc(C(F)(F)F)ccc1Sc1nc2ccccc2s1 ZINC000000034778 563967862 /nfs/dbraw/zinc/96/78/62/563967862.db2.gz XFYORHNNFSJYHL-UHFFFAOYSA-N 0 0 326.368 5.049 50 0 EKAARN Cc1ccc(-c2csc(-c3c(N)sc4c3CCCC4)n2)cc1 ZINC000000034835 563211941 /nfs/dbraw/zinc/21/19/41/563211941.db2.gz UCDYCTHFLKVDLT-UHFFFAOYSA-N 0 0 326.490 5.308 50 0 EKAARN O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc32)N1 ZINC000000035021 563211905 /nfs/dbraw/zinc/21/19/05/563211905.db2.gz OXKAFJDIRGFIAB-OAHLLOKOSA-N 0 0 342.225 5.621 50 0 EKAARN O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc32)N1 ZINC000000035022 563211903 /nfs/dbraw/zinc/21/19/03/563211903.db2.gz OXKAFJDIRGFIAB-HNNXBMFYSA-N 0 0 342.225 5.621 50 0 EKAARN Clc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1 ZINC000000035519 201424990 /nfs/dbraw/zinc/42/49/90/201424990.db2.gz DAWVIXYYTGKMBG-UHFFFAOYSA-N 0 0 337.231 5.336 50 0 EKAARN O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000035714 208553859 /nfs/dbraw/zinc/55/38/59/208553859.db2.gz QSOYDLNLYHOQPB-UHFFFAOYSA-N 0 0 348.402 5.355 50 0 EKAARN COc1ccc(C=O)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000000035791 563211981 /nfs/dbraw/zinc/21/19/81/563211981.db2.gz OUOCMYLFNSTZGI-UHFFFAOYSA-N 0 0 345.609 5.047 50 0 EKAARN O=C(NCc1cccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000036032 563211973 /nfs/dbraw/zinc/21/19/73/563211973.db2.gz PVQPCRSXIYSSMN-UHFFFAOYSA-N 0 0 330.214 5.077 50 0 EKAARN CC(C)Oc1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000036044 201425969 /nfs/dbraw/zinc/42/59/69/201425969.db2.gz LINDCXUONPPUSZ-UHFFFAOYSA-N 0 0 347.414 5.518 50 0 EKAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000000036125 208554407 /nfs/dbraw/zinc/55/44/07/208554407.db2.gz RUWNLPDUHKOWFR-UHFFFAOYSA-N 0 0 333.456 5.148 50 0 EKAARN O=C(CSCc1ccccc1Cl)Nc1ccc2ccccc2c1 ZINC000000036143 563211989 /nfs/dbraw/zinc/21/19/89/563211989.db2.gz GREUCLXKMAOKAG-UHFFFAOYSA-N 0 0 341.863 5.365 50 0 EKAARN CC(C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000000036280 563211986 /nfs/dbraw/zinc/21/19/86/563211986.db2.gz LCZVXAALMNQJDB-UHFFFAOYSA-N 0 0 342.489 5.151 50 0 EKAARN C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 ZINC000000036290 563211977 /nfs/dbraw/zinc/21/19/77/563211977.db2.gz SFODDILKGLAIRW-FUHWJXTLSA-N 0 0 337.463 5.424 50 0 EKAARN C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 ZINC000000036291 563212105 /nfs/dbraw/zinc/21/21/05/563212105.db2.gz SFODDILKGLAIRW-SJLPKXTDSA-N 0 0 337.463 5.424 50 0 EKAARN C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 ZINC000000036292 201425546 /nfs/dbraw/zinc/42/55/46/201425546.db2.gz SFODDILKGLAIRW-WMZOPIPTSA-N 0 0 337.463 5.424 50 0 EKAARN C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1 ZINC000000036293 563212069 /nfs/dbraw/zinc/21/20/69/563212069.db2.gz SFODDILKGLAIRW-AEFFLSMTSA-N 0 0 337.463 5.424 50 0 EKAARN Cc1c(CSCC(=O)Nc2ccccc2)cccc1-c1ccccc1 ZINC000000036296 208554363 /nfs/dbraw/zinc/55/43/63/208554363.db2.gz TUOVFTSSGLQWSL-UHFFFAOYSA-N 0 0 347.483 5.534 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000036347 563968312 /nfs/dbraw/zinc/96/83/12/563968312.db2.gz ONAFOBKUSMYFFG-NOZJJQNGSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000036348 208554402 /nfs/dbraw/zinc/55/44/02/208554402.db2.gz ONAFOBKUSMYFFG-RNCFNFMXSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000036349 563968311 /nfs/dbraw/zinc/96/83/11/563968311.db2.gz ONAFOBKUSMYFFG-TVQRCGJNSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000036350 208554236 /nfs/dbraw/zinc/55/42/36/208554236.db2.gz ONAFOBKUSMYFFG-ZANVPECISA-N 0 0 332.658 5.178 50 0 EKAARN CCc1ccccc1Nc1nc(-c2c(C)nc3sccn32)cs1 ZINC000000036374 208554349 /nfs/dbraw/zinc/55/43/49/208554349.db2.gz FMTFRSLZAOWDTN-UHFFFAOYSA-N 0 0 340.477 5.134 50 0 EKAARN O=C(c1coc2ccc(O)cc12)c1ccc(Oc2ccccc2)cc1 ZINC000000036623 563968333 /nfs/dbraw/zinc/96/83/33/563968333.db2.gz OACNOXFZZQXMFL-UHFFFAOYSA-N 0 0 330.339 5.162 50 0 EKAARN COC(=O)CCc1[nH]c2c(cccc2C)c1Sc1ccc(C)cc1 ZINC000000036653 201425799 /nfs/dbraw/zinc/42/57/99/201425799.db2.gz FATOODHMUGSNSC-UHFFFAOYSA-N 0 0 339.460 5.042 50 0 EKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1scc2c1CCCC2 ZINC000000036869 208554345 /nfs/dbraw/zinc/55/43/45/208554345.db2.gz VQPSBQNVAZDBQA-UHFFFAOYSA-N 0 0 348.471 5.623 50 0 EKAARN CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000000037818 563212131 /nfs/dbraw/zinc/21/21/31/563212131.db2.gz FPJABFICQDCZQK-UHFFFAOYSA-N 0 0 329.827 5.092 50 0 EKAARN Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1C ZINC000000037845 563212129 /nfs/dbraw/zinc/21/21/29/563212129.db2.gz ZOQYTSLAFAXVOG-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN Cc1ccc2cccc(Oc3nc(C)nc4sc5c(c43)CCC5)c2n1 ZINC000000038156 563212153 /nfs/dbraw/zinc/21/21/53/563212153.db2.gz UPCDHPKIJGRPCC-UHFFFAOYSA-N 0 0 347.443 5.137 50 0 EKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000000038194 527225866 /nfs/dbraw/zinc/22/58/66/527225866.db2.gz ZBEOWTPZHYKKTF-UHFFFAOYSA-N 0 0 330.431 5.082 50 0 EKAARN CSc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000000038227 208555108 /nfs/dbraw/zinc/55/51/08/208555108.db2.gz ZKFLZGMXQYOYHX-UHFFFAOYSA-N 0 0 337.897 5.183 50 0 EKAARN COc1ccccc1Oc1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC000000038244 563968557 /nfs/dbraw/zinc/96/85/57/563968557.db2.gz RLJKMXWALDGBID-UHFFFAOYSA-N 0 0 342.398 5.406 50 0 EKAARN C[C@H]1CCc2c(sc3ncnc(Oc4ccc5ccccc5c4)c23)C1 ZINC000000038277 563968574 /nfs/dbraw/zinc/96/85/74/563968574.db2.gz LZADPEKQPMLBMG-ZDUSSCGKSA-N 0 0 346.455 5.762 50 0 EKAARN C[C@@H]1CCc2c(sc3ncnc(Oc4ccc5ccccc5c4)c23)C1 ZINC000000038278 563968617 /nfs/dbraw/zinc/96/86/17/563968617.db2.gz LZADPEKQPMLBMG-CYBMUJFWSA-N 0 0 346.455 5.762 50 0 EKAARN Cc1nnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc12 ZINC000000038279 563968616 /nfs/dbraw/zinc/96/86/16/563968616.db2.gz REWVTHWGOFZZCE-UHFFFAOYSA-N 0 0 337.732 5.354 50 0 EKAARN C[C@H]1CCc2c(sc3ncnc(Oc4cccc5cccnc54)c23)C1 ZINC000000038280 563968609 /nfs/dbraw/zinc/96/86/09/563968609.db2.gz RPDKBQLBVWLPOB-LBPRGKRZSA-N 0 0 347.443 5.157 50 0 EKAARN C[C@@H]1CCc2c(sc3ncnc(Oc4cccc5cccnc54)c23)C1 ZINC000000038281 563968627 /nfs/dbraw/zinc/96/86/27/563968627.db2.gz RPDKBQLBVWLPOB-GFCCVEGCSA-N 0 0 347.443 5.157 50 0 EKAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000038553 201425642 /nfs/dbraw/zinc/42/56/42/201425642.db2.gz RDGPCRBQMZKLTG-UHFFFAOYSA-N 0 0 345.442 6.029 50 0 EKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(C)c3)sc2c1 ZINC000000038559 208554589 /nfs/dbraw/zinc/55/45/89/208554589.db2.gz CXFOIENWLZESRE-UHFFFAOYSA-N 0 0 345.851 5.432 50 0 EKAARN COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)cc3C)sc2c1 ZINC000000038567 563212277 /nfs/dbraw/zinc/21/22/77/563212277.db2.gz NLHNJRZQHZRSFL-UHFFFAOYSA-N 0 0 345.851 5.432 50 0 EKAARN COc1ccc2c(Cl)c(C(=O)NCCC3=CCCCC3)sc2c1 ZINC000000038570 563212536 /nfs/dbraw/zinc/21/25/36/563212536.db2.gz NUSMBYQLSYEOLT-UHFFFAOYSA-N 0 0 349.883 5.184 50 0 EKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000000038753 563212547 /nfs/dbraw/zinc/21/25/47/563212547.db2.gz HCNMTWBSNDOXEM-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1 ZINC000000038821 208555685 /nfs/dbraw/zinc/55/56/85/208555685.db2.gz HNIPZHVSEYSDFN-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000000039265 563212660 /nfs/dbraw/zinc/21/26/60/563212660.db2.gz QTLYNQDPNRTKMF-KRWDZBQOSA-N 0 0 347.483 5.470 50 0 EKAARN C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000000039266 563212690 /nfs/dbraw/zinc/21/26/90/563212690.db2.gz QTLYNQDPNRTKMF-QGZVFWFLSA-N 0 0 347.483 5.470 50 0 EKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 ZINC000000040842 563212693 /nfs/dbraw/zinc/21/26/93/563212693.db2.gz CRQPQZVPDDHKTP-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN Fc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000000040851 563968624 /nfs/dbraw/zinc/96/86/24/563968624.db2.gz WITWHVDKPRWCEC-UHFFFAOYSA-N 0 0 349.645 5.595 50 0 EKAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000041147 208555623 /nfs/dbraw/zinc/55/56/23/208555623.db2.gz PCUFIFZUVNKUFF-UHFFFAOYSA-N 0 0 346.666 5.378 50 0 EKAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000000041148 563968641 /nfs/dbraw/zinc/96/86/41/563968641.db2.gz MWJUPBTVHPHSFM-UHFFFAOYSA-N 0 0 346.666 5.378 50 0 EKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000041658 563968646 /nfs/dbraw/zinc/96/86/46/563968646.db2.gz KYAPQLSNXCVKLK-ZZXKWVIFSA-N 0 0 326.610 5.299 50 0 EKAARN Cc1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000041797 563968652 /nfs/dbraw/zinc/96/86/52/563968652.db2.gz IKRKSTQDJVYCMF-UHFFFAOYSA-N 0 0 326.248 5.033 50 0 EKAARN Cc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000041798 563968659 /nfs/dbraw/zinc/96/86/59/563968659.db2.gz QDNUSHRZMIAPJS-UHFFFAOYSA-N 0 0 326.248 5.033 50 0 EKAARN Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 ZINC000000042169 563212931 /nfs/dbraw/zinc/21/29/31/563212931.db2.gz YBDKUPLFKIDGON-UHFFFAOYSA-N 0 0 336.243 5.769 50 0 EKAARN Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000000042170 563212962 /nfs/dbraw/zinc/21/29/62/563212962.db2.gz BHHJBNCDLSBSGZ-UHFFFAOYSA-N 0 0 336.243 5.769 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000000042537 208555642 /nfs/dbraw/zinc/55/56/42/208555642.db2.gz GOJVDKSRZVFOIW-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN C=CC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C ZINC000000042668 518672886 /nfs/dbraw/zinc/67/28/86/518672886.db2.gz OGXUUWABVBUFEA-UHFFFAOYSA-N 0 0 333.503 5.282 50 0 EKAARN CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000043055 563212951 /nfs/dbraw/zinc/21/29/51/563212951.db2.gz DNCAMWOMXPEUKX-UHFFFAOYSA-N 0 0 331.824 5.206 50 0 EKAARN CC(C)(C)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000043957 563970021 /nfs/dbraw/zinc/97/00/21/563970021.db2.gz QHYHOYADBUGWSO-UHFFFAOYSA-N 0 0 336.863 5.586 50 0 EKAARN Fc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1 ZINC000000044146 209386994 /nfs/dbraw/zinc/38/69/94/209386994.db2.gz MNAJWJZQFYICRV-UHFFFAOYSA-N 0 0 334.268 5.828 50 0 EKAARN O=C(Nc1cccc2cccnc21)c1sc2ccccc2c1Cl ZINC000000044148 209386722 /nfs/dbraw/zinc/38/67/22/209386722.db2.gz MVBNRXRGNMGFHL-UHFFFAOYSA-N 0 0 338.819 5.355 50 0 EKAARN O=C(Nc1ccc2ccccc2n1)c1sc2ccccc2c1Cl ZINC000000044149 209387206 /nfs/dbraw/zinc/38/72/06/209387206.db2.gz FBUUJFANWXPKQL-UHFFFAOYSA-N 0 0 338.819 5.355 50 0 EKAARN CC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1 ZINC000000044182 209386946 /nfs/dbraw/zinc/38/69/46/209386946.db2.gz DUXKKQUTSAPGGD-UHFFFAOYSA-N 0 0 340.220 5.175 50 0 EKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000000044318 209386806 /nfs/dbraw/zinc/38/68/06/209386806.db2.gz RGRMTRZXDADKBI-BBRMVZONSA-N 0 0 334.246 5.370 50 0 EKAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000000044319 563213249 /nfs/dbraw/zinc/21/32/49/563213249.db2.gz RGRMTRZXDADKBI-XJKSGUPXSA-N 0 0 334.246 5.370 50 0 EKAARN CC1(C)[C@H](C(=O)Nc2cccc3ccccc32)[C@H]1C=C(Cl)Cl ZINC000000044320 209386572 /nfs/dbraw/zinc/38/65/72/209386572.db2.gz RGRMTRZXDADKBI-CJNGLKHVSA-N 0 0 334.246 5.370 50 0 EKAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000000044321 209387314 /nfs/dbraw/zinc/38/73/14/209387314.db2.gz RGRMTRZXDADKBI-CZUORRHYSA-N 0 0 334.246 5.370 50 0 EKAARN CCN(CC)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000000044448 209387009 /nfs/dbraw/zinc/38/70/09/209387009.db2.gz KXVTXPHTBUHLBH-UHFFFAOYSA-N 0 0 333.884 5.114 50 0 EKAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1 ZINC000000044492 209386760 /nfs/dbraw/zinc/38/67/60/209386760.db2.gz LBBOQIQYPQBDHO-UHFFFAOYSA-N 0 0 343.521 5.133 50 0 EKAARN O=C(Nc1cccc2ccccc21)c1sc2ccccc2c1Cl ZINC000000044585 209386917 /nfs/dbraw/zinc/38/69/17/209386917.db2.gz AHJNDJZEKSEJSN-UHFFFAOYSA-N 0 0 337.831 5.960 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000044766 209388274 /nfs/dbraw/zinc/38/82/74/209388274.db2.gz RVQHDUKACRLEPB-CYBMUJFWSA-N 0 0 340.448 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/nfs/dbraw/zinc/38/76/25/209387625.db2.gz KHFAJESKUVBIIC-UHFFFAOYSA-N 0 0 346.213 5.164 50 0 EKAARN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1Br ZINC000000045929 209388377 /nfs/dbraw/zinc/38/83/77/209388377.db2.gz IBAXMNXPCPWFMB-UHFFFAOYSA-N 0 0 340.220 5.163 50 0 EKAARN CC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000000045940 209388037 /nfs/dbraw/zinc/38/80/37/209388037.db2.gz DBBCURYPAUXJMP-UHFFFAOYSA-N 0 0 329.808 5.010 50 0 EKAARN COc1ccc2c(Cl)c(C(=O)N[C@@H](C)c3ccccc3)sc2c1 ZINC000000045950 209387562 /nfs/dbraw/zinc/38/75/62/209387562.db2.gz QIQDAHXEOMWLDS-NSHDSACASA-N 0 0 345.851 5.054 50 0 EKAARN COc1ccc2c(Cl)c(C(=O)N[C@H](C)c3ccccc3)sc2c1 ZINC000000045951 209388031 /nfs/dbraw/zinc/38/80/31/209388031.db2.gz QIQDAHXEOMWLDS-LLVKDONJSA-N 0 0 345.851 5.054 50 0 EKAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000000045979 209388610 /nfs/dbraw/zinc/38/86/10/209388610.db2.gz TXZSDWVYFNLNTI-OVCLIPMQSA-N 0 0 333.362 5.270 50 0 EKAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccc(-c3ccccc3)cc2)C1 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NON1[C@H](c2ccccc2)CC(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000046820 209389012 /nfs/dbraw/zinc/38/90/12/209389012.db2.gz SIURGRVXBLASOW-GOTSBHOMSA-N 0 0 344.458 5.154 50 0 EKAARN NON1[C@@H](c2ccccc2)CC(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000000046821 209388844 /nfs/dbraw/zinc/38/88/44/209388844.db2.gz SIURGRVXBLASOW-DHIUTWEWSA-N 0 0 344.458 5.154 50 0 EKAARN Cc1ccc2c(c1)sc(C(=O)Nc1ccc(N(C)C)cc1)c2Cl ZINC000000046857 209389334 /nfs/dbraw/zinc/38/93/34/209389334.db2.gz VOULBBUUSMRAML-UHFFFAOYSA-N 0 0 344.867 5.181 50 0 EKAARN Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn21 ZINC000000047397 209388810 /nfs/dbraw/zinc/38/88/10/209388810.db2.gz WPJHTVSOCQCNBC-UHFFFAOYSA-N 0 0 343.249 5.287 50 0 EKAARN CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc31)O2 ZINC000000047458 201427110 /nfs/dbraw/zinc/42/71/10/201427110.db2.gz CQTRKDFIQFOAQV-QFIPXVFZSA-N 0 0 328.415 5.058 50 0 aggregator EKAARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc31)O2 ZINC000000047459 209389610 /nfs/dbraw/zinc/38/96/10/209389610.db2.gz 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/nfs/dbraw/zinc/02/14/65/519021465.db2.gz GVLAQFKDHSOSFB-UHFFFAOYSA-N 0 0 336.479 5.227 50 0 EKAARN c1ccc(Oc2cccc(CSc3nc4ccccc4o3)c2)cc1 ZINC000000048645 209389572 /nfs/dbraw/zinc/38/95/72/209389572.db2.gz SNKAPUKLIQGXGP-UHFFFAOYSA-N 0 0 333.412 5.912 50 0 EKAARN COc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1F ZINC000000048957 209388982 /nfs/dbraw/zinc/38/89/82/209388982.db2.gz KGNINRQVDLFAGS-UHFFFAOYSA-N 0 0 348.830 5.663 50 0 EKAARN CC(C)N(C(=O)c1ccc(-c2nc3ccccc3s2)cc1)C(C)C ZINC000000049561 209390422 /nfs/dbraw/zinc/39/04/22/209390422.db2.gz YUJBCUGUUSADLV-UHFFFAOYSA-N 0 0 338.476 5.222 50 0 EKAARN Cc1ccc2ccccc2c1CSc1nc(-c2ccccc2)c[nH]1 ZINC000000049805 209390215 /nfs/dbraw/zinc/39/02/15/209390215.db2.gz FFDIXQSTHBTXPF-UHFFFAOYSA-N 0 0 330.456 5.831 50 0 EKAARN CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000000050073 201427007 /nfs/dbraw/zinc/42/70/07/201427007.db2.gz CSOGGODNKMDYLK-UHFFFAOYSA-N 0 0 330.840 5.606 50 0 EKAARN Cc1cc(C(c2ccc(O)c(C)c2)C(Cl)(Cl)Cl)ccc1O ZINC000000050339 209390189 /nfs/dbraw/zinc/39/01/89/209390189.db2.gz GEUDCOBJAHITPB-UHFFFAOYSA-N 0 0 345.653 5.217 50 0 EKAARN O=C(Nc1ccccc1)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000000050423 205397547 /nfs/dbraw/zinc/39/75/47/205397547.db2.gz SUISTSVBPMUHQE-UHFFFAOYSA-N 0 0 337.806 5.171 50 0 EKAARN COc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1 ZINC000000050727 209390886 /nfs/dbraw/zinc/39/08/86/209390886.db2.gz RUZGWFZOHDVZDI-XNTDXEJSSA-N 0 0 345.398 5.139 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1 ZINC000000051457 209389967 /nfs/dbraw/zinc/38/99/67/209389967.db2.gz ALDBAUXXXIGRTJ-UHFFFAOYSA-N 0 0 343.426 5.095 50 0 EKAARN c1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)c1-c1ccccc1 ZINC000000051709 563213495 /nfs/dbraw/zinc/21/34/95/563213495.db2.gz ASFTYOQVGOFKMR-UHFFFAOYSA-N 0 0 347.421 5.730 50 0 EKAARN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000000051960 201427818 /nfs/dbraw/zinc/42/78/18/201427818.db2.gz LPYRJGXPCMXEEG-UHFFFAOYSA-N 0 0 344.389 5.558 50 0 EKAARN Fc1ccc(-c2sc(Nc3ccccc3)nc2C(F)(F)F)cc1 ZINC000000052003 209391351 /nfs/dbraw/zinc/39/13/51/209391351.db2.gz LCYQIXYLKBAVET-UHFFFAOYSA-N 0 0 338.329 5.712 50 0 EKAARN Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1C ZINC000000052589 209392158 /nfs/dbraw/zinc/39/21/58/209392158.db2.gz UTPHIBRLTHTKLY-UHFFFAOYSA-N 0 0 325.415 5.218 50 0 EKAARN Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 ZINC000000052700 563213465 /nfs/dbraw/zinc/21/34/65/563213465.db2.gz DUVWLKNTAKUSOV-UHFFFAOYSA-N 0 0 343.348 5.671 50 0 EKAARN CCC(=O)N1c2c(C)cc(C)cc2-c2c(=S)ssc2C1(C)C ZINC000000052814 521166611 /nfs/dbraw/zinc/16/66/11/521166611.db2.gz DPZHJTKYCNXNLT-UHFFFAOYSA-N 0 0 349.546 5.815 50 0 EKAARN CCOC(=O)c1nc2cc3n(c(CC(C)C)c-2c1C)[C@H](C)C(C)=C3C ZINC000000053276 209392443 /nfs/dbraw/zinc/39/24/43/209392443.db2.gz RHNSCIPUELSBMP-OAHLLOKOSA-N 0 0 340.467 5.040 50 0 EKAARN CCOC(=O)c1nc2cc3n(c(CC(C)C)c-2c1C)[C@@H](C)C(C)=C3C ZINC000000053277 201427672 /nfs/dbraw/zinc/42/76/72/201427672.db2.gz RHNSCIPUELSBMP-HNNXBMFYSA-N 0 0 340.467 5.040 50 0 EKAARN c1ccc(-c2nc3ncc(-c4ccccc4)nn3c2-c2ccccc2)cc1 ZINC000000053443 563970719 /nfs/dbraw/zinc/97/07/19/563970719.db2.gz BUJPMSVWOMVVDK-UHFFFAOYSA-N 0 0 348.409 5.125 50 0 EKAARN CC(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 ZINC000000053669 209392386 /nfs/dbraw/zinc/39/23/86/209392386.db2.gz AUZXHKODUIUKQL-UHFFFAOYSA-N 0 0 334.853 5.059 50 0 EKAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1scc2c1CCCC2 ZINC000000054412 209392066 /nfs/dbraw/zinc/39/20/66/209392066.db2.gz JFTHYSDJUQMKRF-UHFFFAOYSA-N 0 0 333.456 5.546 50 0 EKAARN O=C(/C=C/c1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 ZINC000000054623 209392798 /nfs/dbraw/zinc/39/27/98/209392798.db2.gz DEHOTINIUUDXJB-CMDGGOBGSA-N 0 0 342.225 5.799 50 0 EKAARN S=C(Nc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000054643 209392972 /nfs/dbraw/zinc/39/29/72/209392972.db2.gz UZCVJOOOXURSFD-UHFFFAOYSA-N 0 0 331.655 5.456 50 0 EKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000000054664 209392910 /nfs/dbraw/zinc/39/29/10/209392910.db2.gz QWPPGUDQKGAOFE-GFCCVEGCSA-N 0 0 338.234 5.016 50 0 EKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000000054665 563213718 /nfs/dbraw/zinc/21/37/18/563213718.db2.gz QWPPGUDQKGAOFE-LBPRGKRZSA-N 0 0 338.234 5.016 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)/C(Cl)=C/c1ccccc1 ZINC000000054690 209393276 /nfs/dbraw/zinc/39/32/76/209393276.db2.gz ILUSGNDZBMDVCQ-ZSOIEALJSA-N 0 0 326.610 5.212 50 0 EKAARN CCOC(=O)CSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000000054910 209393135 /nfs/dbraw/zinc/39/31/35/209393135.db2.gz KSHFPOHZDTUOAV-UHFFFAOYSA-N 0 0 345.851 5.144 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000054980 209393296 /nfs/dbraw/zinc/39/32/96/209393296.db2.gz JQSMHWYVQYEFLS-FQEVSTJZSA-N 0 0 347.845 5.285 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000054981 201427517 /nfs/dbraw/zinc/42/75/17/201427517.db2.gz JQSMHWYVQYEFLS-HXUWFJFHSA-N 0 0 347.845 5.285 50 0 EKAARN CCCC(=O)N1c2ccc(C)cc2-c2c(=S)ssc2C1(C)C ZINC000000055093 519870684 /nfs/dbraw/zinc/87/06/84/519870684.db2.gz XJKMDJFRGAWPAD-UHFFFAOYSA-N 0 0 349.546 5.896 50 0 EKAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000055102 524815550 /nfs/dbraw/zinc/81/55/50/524815550.db2.gz RNXXIKOZHJKKPF-LAUBAEHRSA-N 0 0 342.442 5.279 50 0 EKAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000055103 525275845 /nfs/dbraw/zinc/27/58/45/525275845.db2.gz RNXXIKOZHJKKPF-DYESRHJHSA-N 0 0 342.442 5.279 50 0 EKAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000055104 524933214 /nfs/dbraw/zinc/93/32/14/524933214.db2.gz RNXXIKOZHJKKPF-UWJYYQICSA-N 0 0 342.442 5.279 50 0 EKAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000055105 525449231 /nfs/dbraw/zinc/44/92/31/525449231.db2.gz RNXXIKOZHJKKPF-UTKZUKDTSA-N 0 0 342.442 5.279 50 0 EKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C(C)C ZINC000000055114 526134953 /nfs/dbraw/zinc/13/49/53/526134953.db2.gz LEFXBNGQMHDSQT-UHFFFAOYSA-N 0 0 349.546 5.752 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000000055458 209393328 /nfs/dbraw/zinc/39/33/28/209393328.db2.gz JSESVNVEAGTASU-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1Br ZINC000000055463 209393021 /nfs/dbraw/zinc/39/30/21/209393021.db2.gz KHOSTYCIJJVEQN-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCCCC3)c2c1 ZINC000000055502 201357536 /nfs/dbraw/zinc/35/75/36/201357536.db2.gz FKGHSCOYHUWFOZ-UHFFFAOYSA-N 0 0 349.430 5.125 50 0 EKAARN O=C(C[C@H](SCc1ccco1)c1ccc(F)cc1)c1cccs1 ZINC000000055527 563971088 /nfs/dbraw/zinc/97/10/88/563971088.db2.gz JNLOIQYLFQCJHE-SFHVURJKSA-N 0 0 346.448 5.728 50 0 EKAARN O=C1c2cccc3cccc(c23)N1CSc1nc2ccccc2s1 ZINC000000055540 563213709 /nfs/dbraw/zinc/21/37/09/563213709.db2.gz ZZPYXJCGSJAUHA-UHFFFAOYSA-N 0 0 348.452 5.160 50 0 EKAARN CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000000056536 209393343 /nfs/dbraw/zinc/39/33/43/209393343.db2.gz KOJXGMJOTRYLBD-UHFFFAOYSA-N 0 0 332.399 5.047 50 0 in-vitro EKAARN c1cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2[nH]1 ZINC000000057277 209392805 /nfs/dbraw/zinc/39/28/05/209392805.db2.gz JEUGWNYIRZKHDS-UHFFFAOYSA-N 0 0 329.399 5.326 50 0 EKAARN Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1ccccc1 ZINC000000057773 209392723 /nfs/dbraw/zinc/39/27/23/209392723.db2.gz AYRHRJBZVBWWEX-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN Cc1cc2oc(-c3ccc(Br)cc3)cc(=O)c2cc1Cl ZINC000000057782 209393371 /nfs/dbraw/zinc/39/33/71/209393371.db2.gz UGRKPKDGOWBWIA-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 biogenic,in-vitro EKAARN Cc1c2cc(Cl)ccc2oc(=O)c1-c1cccc(Br)c1 ZINC000000057800 209393267 /nfs/dbraw/zinc/39/32/67/209393267.db2.gz NDIRYIRGJBIHDU-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN COc1ccc(-c2c(C)c3c(C)c(Cl)c(C)cc3oc2=O)cc1 ZINC000000057805 209392785 /nfs/dbraw/zinc/39/27/85/209392785.db2.gz MDEWDSYGLAQLDW-UHFFFAOYSA-N 0 0 328.795 5.047 50 0 EKAARN O=c1cc(-c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12 ZINC000000057944 209393213 /nfs/dbraw/zinc/39/32/13/209393213.db2.gz JVVNMSCBUIIZBK-UHFFFAOYSA-N 0 0 325.578 5.420 50 0 biogenic,in-vitro EKAARN O=c1cc(-c2ccccc2Cl)oc2c(Cl)cc(Cl)cc12 ZINC000000057945 209393679 /nfs/dbraw/zinc/39/36/79/209393679.db2.gz GNSKIYXSRRHZJI-UHFFFAOYSA-N 0 0 325.578 5.420 50 0 EKAARN Cc1c2cc(Cl)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000000057972 209393026 /nfs/dbraw/zinc/39/30/26/209393026.db2.gz XUTMAUMFMYWWGM-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1cccc(Cl)c1 ZINC000000057981 201427896 /nfs/dbraw/zinc/42/78/96/201427896.db2.gz VOQATLSOJUHWON-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000000057982 209393067 /nfs/dbraw/zinc/39/30/67/209393067.db2.gz RGKDHAQFRXIVPH-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN Cc1c2cc(Br)ccc2oc(=O)c1-c1ccccc1Cl ZINC000000057983 209392762 /nfs/dbraw/zinc/39/27/62/209392762.db2.gz CZIUXPFSKWYIHL-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN Cc1c2cc(Cl)cc(Br)c2oc(=O)c1-c1ccccc1 ZINC000000057984 209392644 /nfs/dbraw/zinc/39/26/44/209392644.db2.gz GRNKFMFZOXQAGS-UHFFFAOYSA-N 0 0 349.611 5.184 50 0 EKAARN COc1ccc(-c2c(C)c3cc(Cl)cc(Cl)c3oc2=O)cc1 ZINC000000057987 563213728 /nfs/dbraw/zinc/21/37/28/563213728.db2.gz UHFRSPCRJARCBI-UHFFFAOYSA-N 0 0 335.186 5.084 50 0 EKAARN COc1ccc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(C)c2c1 ZINC000000057993 209392834 /nfs/dbraw/zinc/39/28/34/209392834.db2.gz CYJXXOSIMPZJNA-UHFFFAOYSA-N 0 0 335.186 5.084 50 0 EKAARN COc1ccc2c(C)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000000057996 209393545 /nfs/dbraw/zinc/39/35/45/209393545.db2.gz DMVMLIXBJQKVOI-UHFFFAOYSA-N 0 0 335.186 5.084 50 0 EKAARN CCOc1ccc2cc(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000000057998 563213696 /nfs/dbraw/zinc/21/36/96/563213696.db2.gz IITGXLSJWKPUNQ-UHFFFAOYSA-N 0 0 335.186 5.166 50 0 EKAARN COc1ccc(NC(=O)C2C[C@@H](C(C)(C)C)C[C@H](C(C)(C)C)C2)cc1 ZINC000000058655 209394278 /nfs/dbraw/zinc/39/42/78/209394278.db2.gz WCIHNRBFLFNLEP-IAGOWNOFSA-N 0 0 345.527 5.758 50 0 EKAARN COc1ccc(NC(=O)C2C[C@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2)cc1 ZINC000000058656 209394749 /nfs/dbraw/zinc/39/47/49/209394749.db2.gz WCIHNRBFLFNLEP-IRXDYDNUSA-N 0 0 345.527 5.758 50 0 EKAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000000058777 209394355 /nfs/dbraw/zinc/39/43/55/209394355.db2.gz SPGVDNMNRJDLGJ-AWEZNQCLSA-N 0 0 328.843 5.173 50 0 EKAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000000058778 563971095 /nfs/dbraw/zinc/97/10/95/563971095.db2.gz SPGVDNMNRJDLGJ-CQSZACIVSA-N 0 0 328.843 5.173 50 0 EKAARN Cc1ccc(NC(=O)CSCc2ccccc2Cl)cc1Cl ZINC000000059123 563213751 /nfs/dbraw/zinc/21/37/51/563213751.db2.gz JAWUEOVQCLMXTF-UHFFFAOYSA-N 0 0 340.275 5.174 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000059385 201427871 /nfs/dbraw/zinc/42/78/71/201427871.db2.gz FHWWUVOWXCIBBA-UHFFFAOYSA-N 0 0 340.275 5.174 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000000059386 209394632 /nfs/dbraw/zinc/39/46/32/209394632.db2.gz VUDQVMJOUUEGRS-UHFFFAOYSA-N 0 0 340.275 5.174 50 0 EKAARN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000000059671 563971206 /nfs/dbraw/zinc/97/12/06/563971206.db2.gz YXMFBWYRZZVABQ-UHFFFAOYSA-N 0 0 330.818 6.064 50 0 EKAARN Cc1cc(Br)ccc1NC(=O)c1cccc2ccccc21 ZINC000000060024 209394580 /nfs/dbraw/zinc/39/45/80/209394580.db2.gz CBDVSSYWLXYMJT-UHFFFAOYSA-N 0 0 340.220 5.163 50 0 EKAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000000060027 209394583 /nfs/dbraw/zinc/39/45/83/209394583.db2.gz LALCNUJGTNKKRY-UHFFFAOYSA-N 0 0 342.225 5.913 50 0 EKAARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1Cl ZINC000000060059 209394778 /nfs/dbraw/zinc/39/47/78/209394778.db2.gz UQSRIVDYEKEWHD-UHFFFAOYSA-N 0 0 338.790 5.138 50 0 EKAARN c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000000060386 563214071 /nfs/dbraw/zinc/21/40/71/563214071.db2.gz HQOJMWWJCILSIP-UHFFFAOYSA-N 0 0 330.503 5.123 50 0 EKAARN CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000000060704 209394381 /nfs/dbraw/zinc/39/43/81/209394381.db2.gz OBKYKQNEGSGTER-UHFFFAOYSA-N 0 0 344.458 5.226 50 0 EKAARN O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000000060730 209394409 /nfs/dbraw/zinc/39/44/09/209394409.db2.gz 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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C)cc1 ZINC000000083859 563219735 /nfs/dbraw/zinc/21/97/35/563219735.db2.gz USLLYSWXTFQZRQ-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccs2)cc1 ZINC000000083950 563219752 /nfs/dbraw/zinc/21/97/52/563219752.db2.gz JAXFPHGAEBULJN-UHFFFAOYSA-N 0 0 334.488 5.390 50 0 EKAARN Cc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1 ZINC000000083964 563219768 /nfs/dbraw/zinc/21/97/68/563219768.db2.gz XWUNOJANYMPHFG-UHFFFAOYSA-N 0 0 338.794 5.088 50 0 EKAARN CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccco2)cc1 ZINC000000084008 201431619 /nfs/dbraw/zinc/43/16/19/201431619.db2.gz MQSFEJDGZKFZAE-UHFFFAOYSA-N 0 0 336.391 5.017 50 0 EKAARN Cc1ccc(Sc2ncccc2NC(=O)c2ccc(C)cc2)cc1 ZINC000000084083 563219779 /nfs/dbraw/zinc/21/97/79/563219779.db2.gz HENWIBDMUVFCRY-UHFFFAOYSA-N 0 0 334.444 5.102 50 0 EKAARN CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccccc2)cc1 ZINC000000084101 201432154 /nfs/dbraw/zinc/43/21/54/201432154.db2.gz BQMCZIZLTUHJSE-UHFFFAOYSA-N 0 0 346.430 5.424 50 0 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343.451 5.663 50 0 EKAARN c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 ZINC000000085049 563219957 /nfs/dbraw/zinc/21/99/57/563219957.db2.gz XFVZHFLPHLUWLZ-VGOFRKELSA-N 0 0 343.451 5.663 50 0 EKAARN COc1cccc([C@H]2CC(c3ccccc3)=Nc3ccccc3S2)c1 ZINC000000085054 563219928 /nfs/dbraw/zinc/21/99/28/563219928.db2.gz QRIVDPALOIEOGC-JOCHJYFZSA-N 0 0 345.467 6.053 50 0 EKAARN COc1cccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3S2)c1 ZINC000000085056 563219994 /nfs/dbraw/zinc/21/99/94/563219994.db2.gz QRIVDPALOIEOGC-QFIPXVFZSA-N 0 0 345.467 6.053 50 0 EKAARN COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 ZINC000000085063 563220067 /nfs/dbraw/zinc/22/00/67/563220067.db2.gz GEGUQFPCCXQITE-JOCHJYFZSA-N 0 0 345.467 6.053 50 0 EKAARN COc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 ZINC000000085065 563220059 /nfs/dbraw/zinc/22/00/59/563220059.db2.gz GEGUQFPCCXQITE-QFIPXVFZSA-N 0 0 345.467 6.053 50 0 EKAARN Cc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000000085069 563219998 /nfs/dbraw/zinc/21/99/98/563219998.db2.gz JCASSNKUSMVRLK-JOCHJYFZSA-N 0 0 345.467 6.059 50 0 EKAARN Cc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000000085070 209409168 /nfs/dbraw/zinc/40/91/68/209409168.db2.gz JCASSNKUSMVRLK-QFIPXVFZSA-N 0 0 345.467 6.059 50 0 EKAARN Oc1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000000085074 563220071 /nfs/dbraw/zinc/22/00/71/563220071.db2.gz HYERRBRKDRGAKZ-OAQYLSRUSA-N 0 0 347.439 5.456 50 0 EKAARN Oc1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000000085078 563220006 /nfs/dbraw/zinc/22/00/06/563220006.db2.gz HYERRBRKDRGAKZ-NRFANRHFSA-N 0 0 347.439 5.456 50 0 EKAARN Clc1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1 ZINC000000085341 209410207 /nfs/dbraw/zinc/41/02/07/209410207.db2.gz JYRVEIIBDQITON-UHFFFAOYSA-N 0 0 326.852 5.026 50 0 aggregator EKAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1 ZINC000000085353 563975437 /nfs/dbraw/zinc/97/54/37/563975437.db2.gz YKYJGDITQUNJLS-UHFFFAOYSA-N 0 0 348.789 5.401 50 0 EKAARN c1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000000085434 563219962 /nfs/dbraw/zinc/21/99/62/563219962.db2.gz CGLIDRNLWKCDLU-UHFFFAOYSA-N 0 0 348.409 5.125 50 0 aggregator EKAARN Cc1ccc(N2CSC(=S)N(c3ccc(C)cc3C)C2)c(C)c1 ZINC000000085690 524977502 /nfs/dbraw/zinc/97/75/02/524977502.db2.gz AESRZCAQBGLAAW-UHFFFAOYSA-N 0 0 342.533 5.180 50 0 EKAARN Cc1ccc(C(=O)C[C@H](SCc2ccco2)c2cccs2)cc1 ZINC000000086141 209410516 /nfs/dbraw/zinc/41/05/16/209410516.db2.gz AYBIGZADJWYZJH-IBGZPJMESA-N 0 0 342.485 5.897 50 0 EKAARN c1c2nc3ccccc3nc2n2c1-c1ccccc1CC21CCCC1 ZINC000000086259 563975863 /nfs/dbraw/zinc/97/58/63/563975863.db2.gz QTLAIAKMLYNAIN-UHFFFAOYSA-N 0 0 325.415 5.077 50 0 EKAARN Cc1oc2ccc(OCc3cccc(F)c3)cc2c1C(=O)OC(C)C ZINC000000086264 209410599 /nfs/dbraw/zinc/41/05/99/209410599.db2.gz AYCYBBXCGPKWFP-UHFFFAOYSA-N 0 0 342.366 5.025 50 0 EKAARN COc1cccc(OCC2=NC(C)(C)Cc3c4ccccc4ccc32)c1 ZINC000000086375 563975899 /nfs/dbraw/zinc/97/58/99/563975899.db2.gz NZAPUFZMVMBSLV-UHFFFAOYSA-N 0 0 345.442 5.051 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ccccn1 ZINC000000086495 563975887 /nfs/dbraw/zinc/97/58/87/563975887.db2.gz UJFMPPQBXPJKAX-OAQYLSRUSA-N 0 0 347.849 5.726 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1ccccn1 ZINC000000086499 563975873 /nfs/dbraw/zinc/97/58/73/563975873.db2.gz UJFMPPQBXPJKAX-NRFANRHFSA-N 0 0 347.849 5.726 50 0 EKAARN Clc1ccc(Sc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000000086569 563220771 /nfs/dbraw/zinc/22/07/71/563220771.db2.gz KRTIFEYECZHTLC-UHFFFAOYSA-N 0 0 336.847 5.806 50 0 EKAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 ZINC000000086976 563220782 /nfs/dbraw/zinc/22/07/82/563220782.db2.gz AAZMLKGEERBKRT-MAUKXSAKSA-N 0 0 338.457 5.052 50 0 EKAARN Cc1sc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1C ZINC000000087386 563976234 /nfs/dbraw/zinc/97/62/34/563976234.db2.gz WQEJKFNYPFNELD-UHFFFAOYSA-N 0 0 331.444 5.719 50 0 EKAARN Fc1ccccc1CSc1ncnc2sc3c(c21)CCCC3 ZINC000000087390 209410924 /nfs/dbraw/zinc/41/09/24/209410924.db2.gz WHCWGLIMIAJMOY-UHFFFAOYSA-N 0 0 330.453 5.002 50 0 EKAARN Cc1ccc2cccc(Oc3ncnc4sc5c(c43)CCCC5)c2n1 ZINC000000087433 563221111 /nfs/dbraw/zinc/22/11/11/563221111.db2.gz UZHIVNJSHWVOBC-UHFFFAOYSA-N 0 0 347.443 5.219 50 0 EKAARN O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000088019 135644415 /nfs/dbraw/zinc/64/44/15/135644415.db2.gz WGZJNOARAAPYBY-UHFFFAOYSA-N 0 0 346.455 5.242 50 0 EKAARN Clc1ccc(Sc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000000088132 563221416 /nfs/dbraw/zinc/22/14/16/563221416.db2.gz CRTHDAUSIDUEFA-UHFFFAOYSA-N 0 0 342.876 5.867 50 0 EKAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 ZINC000000088339 563221476 /nfs/dbraw/zinc/22/14/76/563221476.db2.gz DLYNPURKVHSMQY-UHFFFAOYSA-N 0 0 348.789 5.401 50 0 EKAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)c1 ZINC000000088342 563976435 /nfs/dbraw/zinc/97/64/35/563976435.db2.gz HBYCLKMJTTUUAC-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN COc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000000088825 563968650 /nfs/dbraw/zinc/96/86/50/563968650.db2.gz VGZASOWFJNZLBC-OAQYLSRUSA-N 0 0 349.405 5.261 50 0 EKAARN COc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 ZINC000000088827 201433543 /nfs/dbraw/zinc/43/35/43/201433543.db2.gz VGZASOWFJNZLBC-NRFANRHFSA-N 0 0 349.405 5.261 50 0 EKAARN Cc1nc2sc3c(c2c(Oc2cccc4ccccc42)n1)CCC3 ZINC000000089466 563221839 /nfs/dbraw/zinc/22/18/39/563221839.db2.gz QGXCQVPYDIQUQR-UHFFFAOYSA-N 0 0 332.428 5.434 50 0 EKAARN CCOc1ccc(Nc2nc(-c3sc(C)nc3C)cs2)cc1 ZINC000000089689 563221876 /nfs/dbraw/zinc/22/18/76/563221876.db2.gz HCKRWLBHCDIUGL-UHFFFAOYSA-N 0 0 331.466 5.026 50 0 EKAARN FC(F)(F)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cnc2c1 ZINC000000090707 201432646 /nfs/dbraw/zinc/43/26/46/201432646.db2.gz ASGIOPKHXSRMMG-UHFFFAOYSA-N 0 0 343.135 5.622 50 0 EKAARN Cc1cc(-c2csc(Nc3ccc(N(C)C)cc3)n2)ccc1F ZINC000000090743 563976542 /nfs/dbraw/zinc/97/65/42/563976542.db2.gz JFOWDXGZVWZIMK-UHFFFAOYSA-N 0 0 327.428 5.067 50 0 EKAARN COc1ccc(OC)c(Nc2nc(-c3ccc(F)c(C)c3)cs2)c1 ZINC000000090746 209413565 /nfs/dbraw/zinc/41/35/65/209413565.db2.gz MROPROUMGOKICM-UHFFFAOYSA-N 0 0 344.411 5.018 50 0 EKAARN CC[C@]1(C)OC(c2ccc(Br)cc2)=Nc2ccccc21 ZINC000000090795 563976524 /nfs/dbraw/zinc/97/65/24/563976524.db2.gz BLFUPXBYXCEWGP-KRWDZBQOSA-N 0 0 330.225 5.183 50 0 EKAARN CC[C@@]1(C)OC(c2ccc(Br)cc2)=Nc2ccccc21 ZINC000000090797 209413669 /nfs/dbraw/zinc/41/36/69/209413669.db2.gz BLFUPXBYXCEWGP-QGZVFWFLSA-N 0 0 330.225 5.183 50 0 EKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1scc2c1CCCC2 ZINC000000090903 563976562 /nfs/dbraw/zinc/97/65/62/563976562.db2.gz FSQYITCFWVLCBI-UHFFFAOYSA-N 0 0 349.455 5.672 50 0 EKAARN COc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000000091205 563222189 /nfs/dbraw/zinc/22/21/89/563222189.db2.gz XWCMBHHWUADGLR-UHFFFAOYSA-N 0 0 348.427 5.530 50 0 EKAARN O=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000091218 563222112 /nfs/dbraw/zinc/22/21/12/563222112.db2.gz ZGPOCYPNYDVRTG-UHFFFAOYSA-N 0 0 332.428 5.199 50 0 in-vivo EKAARN C[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000000091222 563222442 /nfs/dbraw/zinc/22/24/42/563222442.db2.gz VILKVBQVVXZVAU-HNNXBMFYSA-N 0 0 346.455 5.760 50 0 EKAARN C[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000000091223 135644291 /nfs/dbraw/zinc/64/42/91/135644291.db2.gz VILKVBQVVXZVAU-OAHLLOKOSA-N 0 0 346.455 5.760 50 0 EKAARN Cc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000000091227 563222451 /nfs/dbraw/zinc/22/24/51/563222451.db2.gz RWGYPISVFKZDGV-UHFFFAOYSA-N 0 0 346.455 5.508 50 0 EKAARN O=C(NC1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000000091257 563222472 /nfs/dbraw/zinc/22/24/72/563222472.db2.gz RWDJVMGSMCBAPN-UHFFFAOYSA-N 0 0 338.476 5.722 50 0 EKAARN O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1F ZINC000000091260 563222452 /nfs/dbraw/zinc/22/24/52/563222452.db2.gz DAIYDUOWGGOMIC-UHFFFAOYSA-N 0 0 333.362 5.092 50 0 EKAARN c1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000091316 209413378 /nfs/dbraw/zinc/41/33/78/209413378.db2.gz BKZJUVBANDEPHI-UHFFFAOYSA-N 0 0 335.410 5.892 50 0 EKAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000000091321 563222463 /nfs/dbraw/zinc/22/24/63/563222463.db2.gz SSSGJHLVROVTDO-GXFFZTMASA-N 0 0 338.234 5.281 50 0 EKAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000000091328 563222444 /nfs/dbraw/zinc/22/24/44/563222444.db2.gz SSSGJHLVROVTDO-GWCFXTLKSA-N 0 0 338.234 5.281 50 0 EKAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000000091331 563222486 /nfs/dbraw/zinc/22/24/86/563222486.db2.gz SSSGJHLVROVTDO-MFKMUULPSA-N 0 0 338.234 5.281 50 0 EKAARN Cc1ccc(-c2csc3ncnc(NCCc4ccccc4)c23)cc1 ZINC000000091407 563222489 /nfs/dbraw/zinc/22/24/89/563222489.db2.gz VULDVDNPUDDOQI-UHFFFAOYSA-N 0 0 345.471 5.321 50 0 EKAARN O=C(NC(c1ccccc1)c1ccccc1)c1scc2c1CCCC2 ZINC000000091419 209413829 /nfs/dbraw/zinc/41/38/29/209413829.db2.gz YGMHDJSIGASJMW-UHFFFAOYSA-N 0 0 347.483 5.146 50 0 EKAARN COc1ccccc1Oc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000000091520 209415043 /nfs/dbraw/zinc/41/50/43/209415043.db2.gz DCNAOCGFGNXLKL-UHFFFAOYSA-N 0 0 348.427 5.468 50 0 EKAARN CC(C)c1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000000091523 563222492 /nfs/dbraw/zinc/22/24/92/563222492.db2.gz RLBSLDIHQXYVIP-UHFFFAOYSA-N 0 0 328.799 5.092 50 0 EKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(C)c(C)c4)c23)cc1 ZINC000000091525 563222458 /nfs/dbraw/zinc/22/24/58/563222458.db2.gz YQUNRHXDXUURET-UHFFFAOYSA-N 0 0 346.455 6.076 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000000091560 564130148 /nfs/dbraw/zinc/13/01/48/564130148.db2.gz QAANZVLFRHSOOU-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN COc1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000091686 563222803 /nfs/dbraw/zinc/22/28/03/563222803.db2.gz IYPYWVXJTGPEHH-UHFFFAOYSA-N 0 0 333.416 5.111 50 0 EKAARN COc1cccc(Oc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000000091690 563222833 /nfs/dbraw/zinc/22/28/33/563222833.db2.gz KZXRVEZIPUEDMI-UHFFFAOYSA-N 0 0 334.400 5.159 50 0 EKAARN CC(=O)c1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000091704 563222815 /nfs/dbraw/zinc/22/28/15/563222815.db2.gz IVSJPRCPKWFORR-UHFFFAOYSA-N 0 0 346.411 5.353 50 0 EKAARN COc1ccccc1Oc1ncnc2sc(-c3ccccc3)cc21 ZINC000000091723 209414610 /nfs/dbraw/zinc/41/46/10/209414610.db2.gz XEPDHHCOCONUFH-UHFFFAOYSA-N 0 0 334.400 5.159 50 0 EKAARN Cc1ccc(Oc2nc(-c3cccnc3)nc3ccccc32)cc1C ZINC000000091739 563976550 /nfs/dbraw/zinc/97/65/50/563976550.db2.gz VAKXWQXSZYEFMA-UHFFFAOYSA-N 0 0 327.387 5.101 50 0 EKAARN Cc1ccc(Oc2nnc(-c3cccs3)c3ccccc23)cc1C ZINC000000091771 563222759 /nfs/dbraw/zinc/22/27/59/563222759.db2.gz YWFWZQOEQINLDN-UHFFFAOYSA-N 0 0 332.428 5.767 50 0 EKAARN Cc1sc2ncnc(Sc3ccccc3)c2c1-c1ccccc1 ZINC000000091869 563222768 /nfs/dbraw/zinc/22/27/68/563222768.db2.gz AIOQDNPXSJQDJL-UHFFFAOYSA-N 0 0 334.469 5.818 50 0 EKAARN Nc1ccccc1Sc1nc2c(cc(Cl)cc2Cl)s1 ZINC000000092113 563222742 /nfs/dbraw/zinc/22/27/42/563222742.db2.gz NBMDIYRGIZPZEN-UHFFFAOYSA-N 0 0 327.261 5.337 50 0 EKAARN Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000000092123 135644482 /nfs/dbraw/zinc/64/44/82/135644482.db2.gz PGNGVHYRYQCUHH-IBGZPJMESA-N 0 0 334.444 5.136 50 0 EKAARN Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000000092127 563222798 /nfs/dbraw/zinc/22/27/98/563222798.db2.gz PGNGVHYRYQCUHH-LJQANCHMSA-N 0 0 334.444 5.136 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000000092251 563222721 /nfs/dbraw/zinc/22/27/21/563222721.db2.gz XRWGBCWDBYXZLU-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Clc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 ZINC000000092319 563976595 /nfs/dbraw/zinc/97/65/95/563976595.db2.gz VVFLDMPVXJYJMH-UHFFFAOYSA-N 0 0 348.833 5.317 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl ZINC000000092349 201433178 /nfs/dbraw/zinc/43/31/78/201433178.db2.gz YWYTYDYUMRDTGO-ZWNOBZJWSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl ZINC000000092352 563976602 /nfs/dbraw/zinc/97/66/02/563976602.db2.gz YWYTYDYUMRDTGO-MFKMUULPSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1Cl ZINC000000092356 209415580 /nfs/dbraw/zinc/41/55/80/209415580.db2.gz YWYTYDYUMRDTGO-GXFFZTMASA-N 0 0 332.658 5.178 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1Cl ZINC000000092358 209414588 /nfs/dbraw/zinc/41/45/88/209414588.db2.gz YWYTYDYUMRDTGO-GWCFXTLKSA-N 0 0 332.658 5.178 50 0 EKAARN Cc1nc(Cl)c(NC(=O)Nc2cccc(Cl)c2)c(C)c1Cl ZINC000000092439 563976598 /nfs/dbraw/zinc/97/65/98/563976598.db2.gz RPQGFKGDPXRSMM-UHFFFAOYSA-N 0 0 344.629 5.303 50 0 EKAARN COc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc32)cc1 ZINC000000092764 209414834 /nfs/dbraw/zinc/41/48/34/209414834.db2.gz FDTUEHVZZPHQJI-UHFFFAOYSA-N 0 0 346.361 5.237 50 0 EKAARN Cc1cc(-c2csc(=S)n2Nc2ccccc2)ccc1Cl ZINC000000093230 201432796 /nfs/dbraw/zinc/43/27/96/201432796.db2.gz QEZSDYNKZMVFMP-UHFFFAOYSA-N 0 0 332.881 5.783 50 0 EKAARN CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000093657 563223154 /nfs/dbraw/zinc/22/31/54/563223154.db2.gz NJCVQJKPRDNTHF-UHFFFAOYSA-N 0 0 338.234 5.134 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCCC1 ZINC000000094641 563223527 /nfs/dbraw/zinc/22/35/27/563223527.db2.gz NEEMUZPSMJZFPW-UHFFFAOYSA-N 0 0 334.246 5.444 50 0 EKAARN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/Sc2ccccc2C1=O ZINC000000095001 209417743 /nfs/dbraw/zinc/41/77/43/209417743.db2.gz BLHNHTGFSITHDU-UDWIEESQSA-N 0 0 346.455 5.127 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C)c1C ZINC000000095018 201434358 /nfs/dbraw/zinc/43/43/58/201434358.db2.gz LWURMTIBRZHDSZ-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C)cc1C ZINC000000095027 563977889 /nfs/dbraw/zinc/97/78/89/563977889.db2.gz GTERTWFOKOCRGO-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)ccc1C ZINC000000095035 209418149 /nfs/dbraw/zinc/41/81/49/209418149.db2.gz YBSJFEXMHNXSNN-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000000095042 563223915 /nfs/dbraw/zinc/22/39/15/563223915.db2.gz BLLRELSXVHXALJ-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN CCc1ccccc1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000095049 563223821 /nfs/dbraw/zinc/22/38/21/563223821.db2.gz CFITZERXFQCTHW-UHFFFAOYSA-N 0 0 340.810 5.118 50 0 EKAARN CCc1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000000095055 563223879 /nfs/dbraw/zinc/22/38/79/563223879.db2.gz BWBRWMGQPHJGTO-UHFFFAOYSA-N 0 0 340.810 5.118 50 0 EKAARN CCC1(CC)O[C@H](c2cc(Cl)c(O)c(OC)c2)Nc2ccccc21 ZINC000000095059 563977882 /nfs/dbraw/zinc/97/78/82/563977882.db2.gz AJGNZSDGAUOAGX-GOSISDBHSA-N 0 0 347.842 5.210 50 0 EKAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(C)c(=O)oc12 ZINC000000095142 201433954 /nfs/dbraw/zinc/43/39/54/201433954.db2.gz PVMWIVJAXNKFRM-UHFFFAOYSA-N 0 0 338.790 5.785 50 0 EKAARN Cc1oc2c(cc3c4c(c(=O)oc3c2C)CCC4)c1-c1ccccc1 ZINC000000095188 564090405 /nfs/dbraw/zinc/09/04/05/564090405.db2.gz ZBAKYPFBVMJTCA-UHFFFAOYSA-N 0 0 330.383 5.312 50 0 EKAARN Cc1oc2cc3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCC4 ZINC000000095190 209417566 /nfs/dbraw/zinc/41/75/66/209417566.db2.gz UDOKCFBPGJSCEN-UHFFFAOYSA-N 0 0 330.383 5.393 50 0 EKAARN O=c1oc2cc3occ(-c4ccc(Cl)cc4)c3cc2c2c1CCC2 ZINC000000095219 563223834 /nfs/dbraw/zinc/22/38/34/563223834.db2.gz RFZLQZQWAHMOII-UHFFFAOYSA-N 0 0 336.774 5.348 50 0 EKAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c3c(c(=O)oc12)CCC3 ZINC000000095258 201357588 /nfs/dbraw/zinc/35/75/88/201357588.db2.gz GLWSKFMLMOYXFS-UHFFFAOYSA-N 0 0 334.346 5.142 50 0 EKAARN CCCc1cc(=O)oc2cc3occ(-c4ccc(OC)cc4)c3cc12 ZINC000000095266 564090420 /nfs/dbraw/zinc/09/04/20/564090420.db2.gz DIIWAJIEUVWLMI-UHFFFAOYSA-N 0 0 334.371 5.167 50 0 EKAARN COc1ccc(-c2coc3c2cc2c(C)c(C)c(=O)oc2c3C)cc1 ZINC000000095270 563977881 /nfs/dbraw/zinc/97/78/81/563977881.db2.gz HKVFZKOFJAVPOC-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN O=c1oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCCC2 ZINC000000095274 209417320 /nfs/dbraw/zinc/41/73/20/209417320.db2.gz CNDBAHOVONZEBJ-UHFFFAOYSA-N 0 0 334.346 5.224 50 0 EKAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c3c(c(=O)oc12)CCCC3 ZINC000000095276 201358180 /nfs/dbraw/zinc/35/81/80/201358180.db2.gz XYFQMYZPNLLBOB-UHFFFAOYSA-N 0 0 348.373 5.533 50 0 EKAARN COc1ccc(-c2coc3c2cc2c4c(c(=O)oc2c3C)CCC4)cc1 ZINC000000095281 563977863 /nfs/dbraw/zinc/97/78/63/563977863.db2.gz MOERUTMRKVKFKB-UHFFFAOYSA-N 0 0 346.382 5.012 50 0 EKAARN COc1ccc(-c2coc3cc4oc(=O)c5c(c4cc32)CCCC5)cc1 ZINC000000095284 564090402 /nfs/dbraw/zinc/09/04/02/564090402.db2.gz DQOUUXGTYRFGFO-UHFFFAOYSA-N 0 0 346.382 5.094 50 0 EKAARN Cc1c2cc3c(cc2oc(=O)c1Cc1ccccc1)oc1c3CCCC1 ZINC000000095294 564090422 /nfs/dbraw/zinc/09/04/22/564090422.db2.gz LHRIPWXZPGTKHS-UHFFFAOYSA-N 0 0 344.410 5.317 50 0 EKAARN Cc1ccc(-c2coc3c2cc2c4c(c(=O)oc2c3C)CCCC4)cc1 ZINC000000095299 564090404 /nfs/dbraw/zinc/09/04/04/564090404.db2.gz OPQRHKHFEPXXNO-UHFFFAOYSA-N 0 0 344.410 5.702 50 0 EKAARN Cc1ccc(-c2coc3cc4oc(=O)c5c(c4cc32)CCCC5)cc1 ZINC000000095302 564090403 /nfs/dbraw/zinc/09/04/03/564090403.db2.gz ACGHPJAITBCJDL-UHFFFAOYSA-N 0 0 330.383 5.393 50 0 EKAARN Cc1ccc(-c2coc3c2cc2c4c(c(=O)oc2c3C)CCC4)cc1 ZINC000000095305 564090407 /nfs/dbraw/zinc/09/04/07/564090407.db2.gz RDXWRPDDILKISV-UHFFFAOYSA-N 0 0 330.383 5.312 50 0 EKAARN COc1ccc(-c2cc(=O)oc3c(C)c4oc(C)c(C)c4cc23)cc1 ZINC000000095313 564090426 /nfs/dbraw/zinc/09/04/26/564090426.db2.gz WIOCHMDORGGYEQ-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN CCc1cc(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 ZINC000000095326 563223907 /nfs/dbraw/zinc/22/39/07/563223907.db2.gz UKDMHQZIYCUVMZ-UHFFFAOYSA-N 0 0 338.790 5.730 50 0 EKAARN CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 ZINC000000095331 563223857 /nfs/dbraw/zinc/22/38/57/563223857.db2.gz ISNCCHHBOVGGGA-UHFFFAOYSA-N 0 0 336.362 5.606 50 0 EKAARN COc1cccc(-c2coc3cc4oc(=O)c5c(c4cc32)CCCC5)c1 ZINC000000095337 564090445 /nfs/dbraw/zinc/09/04/45/564090445.db2.gz MVWBWROEAXLDJT-UHFFFAOYSA-N 0 0 346.382 5.094 50 0 EKAARN CCc1cc(=O)oc2c(C)c3occ(-c4ccc(OC)cc4)c3cc12 ZINC000000095339 209417931 /nfs/dbraw/zinc/41/79/31/209417931.db2.gz YBWMMDUKGCJBDI-UHFFFAOYSA-N 0 0 334.371 5.086 50 0 EKAARN CCCc1cc(=O)oc2c(C)c3occ(-c4ccc(OC)cc4)c3cc12 ZINC000000095343 564090455 /nfs/dbraw/zinc/09/04/55/564090455.db2.gz FOJABJKRONKDRY-UHFFFAOYSA-N 0 0 348.398 5.476 50 0 EKAARN COc1cccc(-c2coc3c2cc2c4c(c(=O)oc2c3C)CCC4)c1 ZINC000000095345 563977888 /nfs/dbraw/zinc/97/78/88/563977888.db2.gz XFXPQMMWWMORIZ-UHFFFAOYSA-N 0 0 346.382 5.012 50 0 EKAARN CCc1cc(=O)oc2c(C)c3occ(-c4cccc(OC)c4)c3cc12 ZINC000000095350 564090447 /nfs/dbraw/zinc/09/04/47/564090447.db2.gz OTXATDNADGAWAJ-UHFFFAOYSA-N 0 0 334.371 5.086 50 0 EKAARN Cc1oc2c(c1-c1ccccc1)c(C)cc1oc(=O)c3c(c21)CCC3 ZINC000000095409 564090437 /nfs/dbraw/zinc/09/04/37/564090437.db2.gz DWJMVWVSFXIVMQ-UHFFFAOYSA-N 0 0 330.383 5.312 50 0 EKAARN Cc1cc2oc(=O)c3c(c2c2occ(-c4ccccc4)c21)CCCC3 ZINC000000095420 564090454 /nfs/dbraw/zinc/09/04/54/564090454.db2.gz RTNQLSNXFKISNC-UHFFFAOYSA-N 0 0 330.383 5.393 50 0 EKAARN CCc1cc(=O)oc2cc(C)c3c(-c4ccc(Cl)cc4)coc3c12 ZINC000000095443 563223889 /nfs/dbraw/zinc/22/38/89/563223889.db2.gz FOPLKRPODVZNOZ-UHFFFAOYSA-N 0 0 338.790 5.730 50 0 EKAARN Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(F)cc4)c21)CCC3 ZINC000000095444 201357182 /nfs/dbraw/zinc/35/71/82/201357182.db2.gz RHFLOLFMAIXEKB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/35/76/57/201357657.db2.gz INDXWOXQYLVWPT-UHFFFAOYSA-N 0 0 346.382 5.012 50 0 EKAARN CCc1cc(=O)oc2cc(C)c3c(-c4cccc(OC)c4)coc3c12 ZINC000000095482 564090448 /nfs/dbraw/zinc/09/04/48/564090448.db2.gz NHHVRHIRXOMYJB-UHFFFAOYSA-N 0 0 334.371 5.086 50 0 EKAARN Cc1cc2oc(=O)c(C)c(C)c2c2occ(-c3ccc(Cl)cc3)c21 ZINC000000095485 209417656 /nfs/dbraw/zinc/41/76/56/209417656.db2.gz LIPOSOVBWFVXAD-UHFFFAOYSA-N 0 0 338.790 5.785 50 0 EKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Cl)cc1 ZINC000000095877 563977892 /nfs/dbraw/zinc/97/78/92/563977892.db2.gz LOVFRIJHSZOQMJ-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000000096052 563977865 /nfs/dbraw/zinc/97/78/65/563977865.db2.gz TYLAVIXBTRSOMX-UHFFFAOYSA-N 0 0 326.399 5.419 50 0 EKAARN COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000096062 563224221 /nfs/dbraw/zinc/22/42/21/563224221.db2.gz XIOGJAPOAUEYJO-UHFFFAOYSA-N 0 0 326.399 5.419 50 0 EKAARN CCOc1ccc2nc(SCC(=O)c3ccc(C)s3)sc2c1 ZINC000000096377 258047434 /nfs/dbraw/zinc/04/74/34/258047434.db2.gz WKLURSPBAHDADP-UHFFFAOYSA-N 0 0 349.502 5.040 50 0 EKAARN Cc1cc(C(F)(F)F)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1 ZINC000000096511 563224334 /nfs/dbraw/zinc/22/43/34/563224334.db2.gz RZFGYVQWYJKBFC-UHFFFAOYSA-N 0 0 333.357 5.021 50 0 EKAARN COc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000000097126 209417844 /nfs/dbraw/zinc/41/78/44/209417844.db2.gz REJYYNKPBRGDAK-JOCHJYFZSA-N 0 0 345.467 6.053 50 0 EKAARN COc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000000097128 563224648 /nfs/dbraw/zinc/22/46/48/563224648.db2.gz REJYYNKPBRGDAK-QFIPXVFZSA-N 0 0 345.467 6.053 50 0 EKAARN Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000097290 258047468 /nfs/dbraw/zinc/04/74/68/258047468.db2.gz DWAUNQITACPFQN-OAQYLSRUSA-N 0 0 333.456 5.375 50 0 EKAARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000000097295 258047428 /nfs/dbraw/zinc/04/74/28/258047428.db2.gz DWAUNQITACPFQN-NRFANRHFSA-N 0 0 333.456 5.375 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1C ZINC000000097540 563224629 /nfs/dbraw/zinc/22/46/29/563224629.db2.gz LXWYATUVBWHBTQ-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(CC)cc1 ZINC000000097610 209417327 /nfs/dbraw/zinc/41/73/27/209417327.db2.gz FARAZWKZTQOCDT-UHFFFAOYSA-N 0 0 334.419 5.026 50 0 EKAARN Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1F ZINC000000097984 563224962 /nfs/dbraw/zinc/22/49/62/563224962.db2.gz MUOAJKCUMLMZDT-UHFFFAOYSA-N 0 0 329.227 5.250 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000000098220 209418863 /nfs/dbraw/zinc/41/88/63/209418863.db2.gz UBJJEHPYMBWKSW-UHFFFAOYSA-N 0 0 327.733 5.228 50 0 EKAARN Cc1cccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000000098262 563224985 /nfs/dbraw/zinc/22/49/85/563224985.db2.gz HWGUHHNFPZNYQI-UHFFFAOYSA-N 0 0 326.509 6.051 50 0 EKAARN FC(F)(F)c1cccc(N2COc3ccc4ccccc4c3C2)c1 ZINC000000098347 135644449 /nfs/dbraw/zinc/64/44/49/135644449.db2.gz KSOKVAQWSPTDEI-UHFFFAOYSA-N 0 0 329.321 5.215 50 0 EKAARN COc1ccc(Nc2ncnc3scc(-c4ccc(C)cc4)c32)cc1 ZINC000000098363 209419152 /nfs/dbraw/zinc/41/91/52/209419152.db2.gz GGTWWUJAEJLRJF-UHFFFAOYSA-N 0 0 347.443 5.419 50 0 EKAARN Cc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1 ZINC000000098367 563224945 /nfs/dbraw/zinc/22/49/45/563224945.db2.gz CAKUZZRFVBEDEW-UHFFFAOYSA-N 0 0 335.407 5.549 50 0 EKAARN CCOC(=O)c1cnc2ccccc2c1Nc1cccc2ccccc21 ZINC000000098375 209418732 /nfs/dbraw/zinc/41/87/32/209418732.db2.gz JEJYMZUJAWTGOV-UHFFFAOYSA-N 0 0 342.398 5.308 50 0 EKAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1cccc(C)c1 ZINC000000098437 563981467 /nfs/dbraw/zinc/98/14/67/563981467.db2.gz AYFFCUXBLYYFEM-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(C)cc1 ZINC000000098440 563981481 /nfs/dbraw/zinc/98/14/81/563981481.db2.gz ROVYAGFOVFQAFT-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1C ZINC000000098446 563981428 /nfs/dbraw/zinc/98/14/28/563981428.db2.gz OFPIUBQWPDRNCD-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN Cc1ccc(C)c(NC(=S)Nc2c(Cl)cccc2Cl)c1 ZINC000000098503 563224987 /nfs/dbraw/zinc/22/49/87/563224987.db2.gz XMLFBKCVBRMDJE-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN COc1ccc(Nc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000000098563 209418692 /nfs/dbraw/zinc/41/86/92/209418692.db2.gz OVVKVFAXQROCNF-UHFFFAOYSA-N 0 0 333.416 5.111 50 0 EKAARN COc1ccc(Oc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000000098825 563981477 /nfs/dbraw/zinc/98/14/77/563981477.db2.gz ZOBPXBWFLDRTPE-UHFFFAOYSA-N 0 0 328.371 5.098 50 0 EKAARN COc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000000098828 209419220 /nfs/dbraw/zinc/41/92/20/209419220.db2.gz IKWHNZAEDAHHFH-UHFFFAOYSA-N 0 0 342.398 5.406 50 0 EKAARN C[C@H]1CCc2c(sc3ncnc(SCc4ccccc4)c23)C1 ZINC000000098869 563981472 /nfs/dbraw/zinc/98/14/72/563981472.db2.gz VXHINJYXOVPRLB-LBPRGKRZSA-N 0 0 326.490 5.108 50 0 EKAARN Cc1ccc(Nc2ncnc3ccc(Br)cc32)cc1Cl ZINC000000099085 563225259 /nfs/dbraw/zinc/22/52/59/563225259.db2.gz LSRTVWHUWDHCFA-UHFFFAOYSA-N 0 0 348.631 5.098 50 0 EKAARN 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QTIPDJQWFCESPB-UHFFFAOYSA-N 0 0 334.400 5.227 50 0 EKAARN CCC(CC)c1nc2ccccc2c(Nc2ccc(C(=O)OC)cc2)n1 ZINC000000136891 209442804 /nfs/dbraw/zinc/44/28/04/209442804.db2.gz IXRIBIIINJPZMP-UHFFFAOYSA-N 0 0 349.434 5.064 50 0 biogenic,in-vitro EKAARN Clc1ccc(Cc2cnc(Nc3ccccc3)s2)cc1Cl ZINC000000136931 209443472 /nfs/dbraw/zinc/44/34/72/209443472.db2.gz ZLBHEUXAXCINIE-UHFFFAOYSA-N 0 0 335.259 5.784 50 0 EKAARN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000137058 563240747 /nfs/dbraw/zinc/24/07/47/563240747.db2.gz AQCAKGILHAZQQU-UHFFFAOYSA-N 0 0 337.250 5.092 50 0 EKAARN Cc1nc2sc3c(c2c(Sc2ccc(Cl)cc2)n1)CCC3 ZINC000000137069 209442881 /nfs/dbraw/zinc/44/28/81/209442881.db2.gz MODRDYFYFAUABX-UHFFFAOYSA-N 0 0 332.881 5.293 50 0 EKAARN Fc1ccc(-c2csc3ncnc(Nc4ccccc4F)c23)cc1 ZINC000000137156 209443997 /nfs/dbraw/zinc/44/39/97/209443997.db2.gz QBWCXOBOKONWEY-UHFFFAOYSA-N 0 0 339.370 5.380 50 0 EKAARN c1csc(CCNc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000000137338 209442590 /nfs/dbraw/zinc/44/25/90/209442590.db2.gz QLKSVHDVOPIBEE-UHFFFAOYSA-N 0 0 337.473 5.074 50 0 EKAARN COc1cccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc32)c1 ZINC000000137410 563987049 /nfs/dbraw/zinc/98/70/49/563987049.db2.gz BERKUTPZKOKKDS-UHFFFAOYSA-N 0 0 346.361 5.237 50 0 EKAARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(F)cc1 ZINC000000137437 209443389 /nfs/dbraw/zinc/44/33/89/209443389.db2.gz RRVOSQKUUSNLOL-UHFFFAOYSA-N 0 0 344.238 5.004 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1ccc(F)cc1 ZINC000000137624 563241140 /nfs/dbraw/zinc/24/11/40/563241140.db2.gz AHESNWGKJCZVLS-UHFFFAOYSA-N 0 0 345.761 5.087 50 0 EKAARN Nc1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 ZINC000000138096 563241248 /nfs/dbraw/zinc/24/12/48/563241248.db2.gz PGYRTAKPHAXCFJ-UHFFFAOYSA-N 0 0 332.881 5.338 50 0 in-vitro EKAARN FC(F)(F)c1cccc(CSc2ccccc2-n2cccc2)c1 ZINC000000138242 563241295 /nfs/dbraw/zinc/24/12/95/563241295.db2.gz ZGBRSMIEJKFLHA-UHFFFAOYSA-N 0 0 333.378 5.788 50 0 EKAARN Fc1ccc2oc(-c3cc(Cl)cc4c3OCOC4)cc(=S)c2c1 ZINC000000138869 563987078 /nfs/dbraw/zinc/98/70/78/563987078.db2.gz DHAMQJZQOWKHKR-UHFFFAOYSA-N 0 0 348.782 5.488 50 0 EKAARN O=C(CCc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000000138878 209445488 /nfs/dbraw/zinc/44/54/88/209445488.db2.gz JYEBIPLHJHMFDU-UHFFFAOYSA-N 0 0 342.398 5.066 50 0 EKAARN O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000138881 563241458 /nfs/dbraw/zinc/24/14/58/563241458.db2.gz CIEWGSIPGPCPGK-UHFFFAOYSA-N 0 0 342.398 5.066 50 0 EKAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000000138969 209444654 /nfs/dbraw/zinc/44/46/54/209444654.db2.gz HBCTZYPVIRKBQB-UHFFFAOYSA-N 0 0 344.238 5.004 50 0 EKAARN Fc1cccc(Cl)c1CSc1ccccc1Br ZINC000000139085 563241527 /nfs/dbraw/zinc/24/15/27/563241527.db2.gz ICTAWTMEJNCXRH-UHFFFAOYSA-N 0 0 331.637 5.534 50 0 EKAARN Fc1cccc(Cl)c1CSc1ccc(Br)cc1 ZINC000000139087 563241453 /nfs/dbraw/zinc/24/14/53/563241453.db2.gz LACRSDXERPSWKB-UHFFFAOYSA-N 0 0 331.637 5.534 50 0 EKAARN ON(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000000139186 563241450 /nfs/dbraw/zinc/24/14/50/563241450.db2.gz PTPDZQXHSAURFD-UHFFFAOYSA-N 0 0 349.274 5.116 50 0 EKAARN Nc1ccccc1S[C@@H](CC(=O)c1cccs1)c1cccs1 ZINC000000140163 563241912 /nfs/dbraw/zinc/24/19/12/563241912.db2.gz DSMWCCVPNFDCIN-KRWDZBQOSA-N 0 0 345.514 5.498 50 0 EKAARN Nc1ccccc1S[C@H](CC(=O)c1cccs1)c1cccs1 ZINC000000140167 201440196 /nfs/dbraw/zinc/44/01/96/201440196.db2.gz DSMWCCVPNFDCIN-QGZVFWFLSA-N 0 0 345.514 5.498 50 0 EKAARN c1csc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c1 ZINC000000140170 563241928 /nfs/dbraw/zinc/24/19/28/563241928.db2.gz XJQXSNVZHWJUIV-UHFFFAOYSA-N 0 0 325.483 6.267 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1 ZINC000000140349 564012119 /nfs/dbraw/zinc/01/21/19/564012119.db2.gz MNTOGYNAHBYUAE-UHFFFAOYSA-N 0 0 332.241 5.133 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1Br ZINC000000140352 564012122 /nfs/dbraw/zinc/01/21/22/564012122.db2.gz NDCKEWGRNWKYTN-UHFFFAOYSA-N 0 0 332.241 5.133 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1Cl)c1ccccc1Cl ZINC000000140362 563241964 /nfs/dbraw/zinc/24/19/64/563241964.db2.gz QZPWTWHRTBJPRO-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1cccc(Br)c1 ZINC000000140363 206208624 /nfs/dbraw/zinc/20/86/24/206208624.db2.gz ZXRCNPLZDRGULZ-UHFFFAOYSA-N 0 0 332.241 5.133 50 0 EKAARN O=C(Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000000140380 563241976 /nfs/dbraw/zinc/24/19/76/563241976.db2.gz QNXGZZCQPVQOQT-UHFFFAOYSA-N 0 0 336.001 5.519 50 0 EKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1ccccc1 ZINC000000140631 563241973 /nfs/dbraw/zinc/24/19/73/563241973.db2.gz QCJQQLIQNSOLSQ-UHFFFAOYSA-N 0 0 332.186 5.188 50 0 EKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1[C@H](O)c1ccccc1 ZINC000000140665 201440527 /nfs/dbraw/zinc/44/05/27/201440527.db2.gz IXZDTCSFAAUZGU-QGZVFWFLSA-N 0 0 334.202 5.039 50 0 EKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@H](O)c1ccccc1 ZINC000000140670 563241945 /nfs/dbraw/zinc/24/19/45/563241945.db2.gz IXZDTCSFAAUZGU-KRWDZBQOSA-N 0 0 334.202 5.039 50 0 EKAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccccc1 ZINC000000140756 563241870 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/nfs/dbraw/zinc/24/25/36/563242536.db2.gz YDXZSNHARVUYNM-UHFFFAOYSA-N 0 0 343.732 5.010 50 0 EKAARN Oc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000000142044 563242572 /nfs/dbraw/zinc/24/25/72/563242572.db2.gz LLTTUOAJTCLSAI-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN O=C(NCc1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000000142105 563242616 /nfs/dbraw/zinc/24/26/16/563242616.db2.gz CMXMBTJOIMKBGX-UHFFFAOYSA-N 0 0 349.044 5.230 50 0 EKAARN O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000000142108 563242519 /nfs/dbraw/zinc/24/25/19/563242519.db2.gz LBVYWVPOFWRIJO-UHFFFAOYSA-N 0 0 349.044 5.230 50 0 EKAARN O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000000142109 563242524 /nfs/dbraw/zinc/24/25/24/563242524.db2.gz OGWFRTHTLUCOAB-UHFFFAOYSA-N 0 0 349.044 5.230 50 0 EKAARN FC(F)(F)c1cc(-c2ccc(-c3cc[nH]n3)o2)cc(C(F)(F)F)c1 ZINC000000142161 563242540 /nfs/dbraw/zinc/24/25/40/563242540.db2.gz WXGYYWNODZSWOX-UHFFFAOYSA-N 0 0 346.230 5.374 50 0 EKAARN Cc1cc(C)c(NC(=O)COc2ccc(C(C)C)c(C)c2)c(C)c1 ZINC000000142340 563242507 /nfs/dbraw/zinc/24/25/07/563242507.db2.gz RLEONOMOIFAFNQ-UHFFFAOYSA-N 0 0 325.452 5.061 50 0 EKAARN Cc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1Cl ZINC000000142415 563242888 /nfs/dbraw/zinc/24/28/88/563242888.db2.gz OMPIATOMOCOBFL-UHFFFAOYSA-N 0 0 331.843 5.098 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000000142417 563242917 /nfs/dbraw/zinc/24/29/17/563242917.db2.gz DCTQZTMPHLLTCZ-UHFFFAOYSA-N 0 0 331.843 5.098 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000000142487 563242895 /nfs/dbraw/zinc/24/28/95/563242895.db2.gz QTYZTGSGHVFGKS-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN Cc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccc(C)cc1 ZINC000000142766 563987154 /nfs/dbraw/zinc/98/71/54/563987154.db2.gz STCDXGRILXLGOY-JLHYYAGUSA-N 0 0 334.444 5.079 50 0 EKAARN O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1cccs1 ZINC000000142810 209448184 /nfs/dbraw/zinc/44/81/84/209448184.db2.gz BOVTYALQYXMFKO-UHFFFAOYSA-N 0 0 343.835 5.124 50 0 EKAARN CCOc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000000143174 563987151 /nfs/dbraw/zinc/98/71/51/563987151.db2.gz VXKNUWILTPIADS-UHFFFAOYSA-N 0 0 332.355 5.137 50 0 EKAARN Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1 ZINC000000143870 563243253 /nfs/dbraw/zinc/24/32/53/563243253.db2.gz YKNHXABRNWDVCQ-UHFFFAOYSA-N 0 0 337.637 6.247 50 0 EKAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2n1 ZINC000000143882 563243295 /nfs/dbraw/zinc/24/32/95/563243295.db2.gz ZJFFCVKNUNYMHH-UHFFFAOYSA-N 0 0 336.744 5.959 50 0 EKAARN CCc1cccc(C)c1Nc1ncnc2ccc(Br)cc21 ZINC000000144049 563987166 /nfs/dbraw/zinc/98/71/66/563987166.db2.gz LNASKCCHIBGXKN-UHFFFAOYSA-N 0 0 342.240 5.007 50 0 biogenic,in-vitro EKAARN CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(CC)cc1 ZINC000000144058 205413689 /nfs/dbraw/zinc/41/36/89/205413689.db2.gz JZBGIRFJGOLWMX-UHFFFAOYSA-N 0 0 334.419 5.026 50 0 EKAARN COc1ccccc1Nc1nc(-c2cccc(C)c2)nc2ccccc21 ZINC000000144297 563243615 /nfs/dbraw/zinc/24/36/15/563243615.db2.gz YAZZMBYNAGLDMA-UHFFFAOYSA-N 0 0 341.414 5.357 50 0 EKAARN Cc1cccc(-c2nc3ccccc3c(NCCc3ccccc3)n2)c1 ZINC000000144299 201440430 /nfs/dbraw/zinc/44/04/30/201440430.db2.gz KDKVUMUQKOVEGL-UHFFFAOYSA-N 0 0 339.442 5.260 50 0 EKAARN CC(C)Oc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000144408 563243664 /nfs/dbraw/zinc/24/36/64/563243664.db2.gz HXQJEQJZAZIXDQ-UHFFFAOYSA-N 0 0 331.415 5.393 50 0 EKAARN Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c1C ZINC000000144547 563987170 /nfs/dbraw/zinc/98/71/70/563987170.db2.gz WNYKROOCLNGFTB-UHFFFAOYSA-N 0 0 325.452 5.061 50 0 EKAARN S=C(Nc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000000144584 209447327 /nfs/dbraw/zinc/44/73/27/209447327.db2.gz NYEZDQMQUKKHTE-UHFFFAOYSA-N 0 0 344.443 5.039 50 0 EKAARN Clc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000144613 209447752 /nfs/dbraw/zinc/44/77/52/209447752.db2.gz VRWVIFHCKUXVMD-IBGZPJMESA-N 0 0 331.806 5.329 50 0 EKAARN Clc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000000144621 563243646 /nfs/dbraw/zinc/24/36/46/563243646.db2.gz VRWVIFHCKUXVMD-LJQANCHMSA-N 0 0 331.806 5.329 50 0 EKAARN Cc1sc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1C ZINC000000144692 563905957 /nfs/dbraw/zinc/90/59/57/563905957.db2.gz BXKYOUADEDOHNT-UHFFFAOYSA-N 0 0 338.480 5.042 50 0 EKAARN Cc1sc2ncnc(Nc3ccc(C)c(Br)c3)c2c1C ZINC000000144697 563243934 /nfs/dbraw/zinc/24/39/34/563243934.db2.gz JENUKNKWPXSHNX-UHFFFAOYSA-N 0 0 348.269 5.123 50 0 EKAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C)cc1 ZINC000000144806 209449271 /nfs/dbraw/zinc/44/92/71/209449271.db2.gz PGHGJHJJZFAWQG-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN Cc1ccc(CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000145087 563243968 /nfs/dbraw/zinc/24/39/68/563243968.db2.gz SIXGPQBIZNJTDW-UHFFFAOYSA-N 0 0 326.490 5.171 50 0 EKAARN Fc1ccc(CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000145089 563243956 /nfs/dbraw/zinc/24/39/56/563243956.db2.gz COJBDXOVODWPAE-UHFFFAOYSA-N 0 0 330.453 5.002 50 0 EKAARN CC(C)c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000145117 209448986 /nfs/dbraw/zinc/44/89/86/209448986.db2.gz UBOGGQLGAAFCJH-UHFFFAOYSA-N 0 0 338.234 5.134 50 0 EKAARN CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000000145120 563987223 /nfs/dbraw/zinc/98/72/23/563987223.db2.gz ZUCXYLZGMSOWQM-CQSZACIVSA-N 0 0 345.870 5.179 50 0 EKAARN CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000000145121 209448699 /nfs/dbraw/zinc/44/86/99/209448699.db2.gz ZUCXYLZGMSOWQM-AWEZNQCLSA-N 0 0 345.870 5.179 50 0 EKAARN COc1ccc(C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000000145198 563243923 /nfs/dbraw/zinc/24/39/23/563243923.db2.gz GEDFNQURZOGFLZ-CAPFRKAQSA-N 0 0 343.426 5.183 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000000145223 563243899 /nfs/dbraw/zinc/24/38/99/563243899.db2.gz CJXGFNHUMRQPLP-UHFFFAOYSA-N 0 0 331.843 5.098 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000000145254 209448967 /nfs/dbraw/zinc/44/89/67/209448967.db2.gz UIHXHFWBCONLJH-UHFFFAOYSA-N 0 0 335.834 5.876 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000145258 209449220 /nfs/dbraw/zinc/44/92/20/209449220.db2.gz IVPCMFZCEVDHSS-UHFFFAOYSA-N 0 0 328.626 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CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000000151146 563987297 /nfs/dbraw/zinc/98/72/97/563987297.db2.gz FLADDWPGWQSMPW-UHFFFAOYSA-N 0 0 344.267 5.001 50 0 EKAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)Oc1ccccc1 ZINC000000151157 563246372 /nfs/dbraw/zinc/24/63/72/563246372.db2.gz UHZPWIHKUOGDDM-UHFFFAOYSA-N 0 0 330.796 5.074 50 0 EKAARN Cc1ccc(CSc2nn3cc(-c4ccccc4)nc3s2)cc1 ZINC000000151666 563987433 /nfs/dbraw/zinc/98/74/33/563987433.db2.gz AQXSWUPZKHVPKF-UHFFFAOYSA-N 0 0 337.473 5.059 50 0 EKAARN Clc1ccc(Sc2cccc(Cl)c2Cn2cccc2)cc1 ZINC000000151742 563246379 /nfs/dbraw/zinc/24/63/79/563246379.db2.gz STAWGAFHZNCEDO-UHFFFAOYSA-N 0 0 334.271 5.994 50 0 EKAARN COc1cc(C=O)ccc1OCc1c(Cl)ccc(Cl)c1Cl ZINC000000151826 563246415 /nfs/dbraw/zinc/24/64/15/563246415.db2.gz IXFWQNOGEMAAAP-UHFFFAOYSA-N 0 0 345.609 5.047 50 0 EKAARN FC(F)(F)Oc1ccc(-n2ccc(-c3ccccc3)nc2=S)cc1 ZINC000000152007 209455017 /nfs/dbraw/zinc/45/50/17/209455017.db2.gz RXPBJTPZLRZMFE-UHFFFAOYSA-N 0 0 348.349 5.167 50 0 EKAARN 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/nfs/dbraw/zinc/98/97/73/563989773.db2.gz DEMRDKUMZKYUNQ-CQSZACIVSA-N 0 0 346.471 5.511 50 0 EKAARN Cc1ccc(NC(=O)N(Cc2ccco2)[C@@H](C)c2ccco2)cc1C ZINC000000262759 563989766 /nfs/dbraw/zinc/98/97/66/563989766.db2.gz QOJCROIHINAYBT-INIZCTEOSA-N 0 0 338.407 5.285 50 0 EKAARN Cc1ccc(NC(=O)N(Cc2ccco2)[C@H](C)c2ccco2)cc1C ZINC000000262764 209509604 /nfs/dbraw/zinc/50/96/04/209509604.db2.gz QOJCROIHINAYBT-MRXNPFEDSA-N 0 0 338.407 5.285 50 0 EKAARN Cc1c(NC(=O)c2ccco2)cccc1-c1nc2ccccc2s1 ZINC000000262931 209509366 /nfs/dbraw/zinc/50/93/66/209509366.db2.gz KZTDJQDUIGHHQS-UHFFFAOYSA-N 0 0 334.400 5.117 50 0 EKAARN Cc1ccc(CSCc2ccc(C(=O)NC3CCCCC3)o2)cc1 ZINC000000262945 563989778 /nfs/dbraw/zinc/98/97/78/563989778.db2.gz LYJOEVDNLLOOHY-UHFFFAOYSA-N 0 0 343.492 5.084 50 0 EKAARN Cc1ccccc1CSCc1ccc(C(=O)NC2CCCCC2)o1 ZINC000000262982 209509688 /nfs/dbraw/zinc/50/96/88/209509688.db2.gz JTIJPZJQXDFWMA-UHFFFAOYSA-N 0 0 343.492 5.084 50 0 EKAARN CCc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2ccco2)cc1 ZINC000000263012 563989764 /nfs/dbraw/zinc/98/97/64/563989764.db2.gz KFIJZFCPKFOABV-INIZCTEOSA-N 0 0 328.456 5.483 50 0 EKAARN CCc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2ccco2)cc1 ZINC000000263016 563989776 /nfs/dbraw/zinc/98/97/76/563989776.db2.gz KFIJZFCPKFOABV-MRXNPFEDSA-N 0 0 328.456 5.483 50 0 EKAARN CCOc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2ccco2)cc1 ZINC000000263019 563989779 /nfs/dbraw/zinc/98/97/79/563989779.db2.gz JWZAZRZNUZJJHL-INIZCTEOSA-N 0 0 344.455 5.320 50 0 EKAARN CCOc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2ccco2)cc1 ZINC000000263024 563989753 /nfs/dbraw/zinc/98/97/53/563989753.db2.gz JWZAZRZNUZJJHL-MRXNPFEDSA-N 0 0 344.455 5.320 50 0 EKAARN Cc1ccccc1NC(=S)N(Cc1ccco1)[C@@H](C)c1ccco1 ZINC000000263041 563989755 /nfs/dbraw/zinc/98/97/55/563989755.db2.gz IAPCCQHLFJGYDI-HNNXBMFYSA-N 0 0 340.448 5.141 50 0 EKAARN Cc1ccccc1NC(=S)N(Cc1ccco1)[C@H](C)c1ccco1 ZINC000000263048 563989767 /nfs/dbraw/zinc/98/97/67/563989767.db2.gz IAPCCQHLFJGYDI-OAHLLOKOSA-N 0 0 340.448 5.141 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@@H](C)c1ccco1 ZINC000000263053 563989769 /nfs/dbraw/zinc/98/97/69/563989769.db2.gz KCJDCVDEMRAWST-INIZCTEOSA-N 0 0 330.497 5.394 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@H](C)c1ccco1 ZINC000000263057 563989800 /nfs/dbraw/zinc/98/98/00/563989800.db2.gz KCJDCVDEMRAWST-MRXNPFEDSA-N 0 0 330.497 5.394 50 0 EKAARN CCc1cccc(NC(=S)N(CCC(C)C)[C@@H](C)c2ccco2)c1 ZINC000000263063 209509327 /nfs/dbraw/zinc/50/93/27/209509327.db2.gz UAOGOBZNUPXZLV-INIZCTEOSA-N 0 0 344.524 5.648 50 0 EKAARN CCc1cccc(NC(=S)N(CCC(C)C)[C@H](C)c2ccco2)c1 ZINC000000263068 563989798 /nfs/dbraw/zinc/98/97/98/563989798.db2.gz UAOGOBZNUPXZLV-MRXNPFEDSA-N 0 0 344.524 5.648 50 0 EKAARN COc1ccccc1NC(=S)N(CCC(C)C)[C@@H](C)c1ccco1 ZINC000000263075 209509313 /nfs/dbraw/zinc/50/93/13/209509313.db2.gz LSHJTEVXSKZBIU-HNNXBMFYSA-N 0 0 346.496 5.094 50 0 EKAARN COc1ccccc1NC(=S)N(CCC(C)C)[C@H](C)c1ccco1 ZINC000000263081 209509500 /nfs/dbraw/zinc/50/95/00/209509500.db2.gz LSHJTEVXSKZBIU-OAHLLOKOSA-N 0 0 346.496 5.094 50 0 EKAARN CC(C)CCN(C(=S)Nc1ccccc1F)[C@@H](C)c1ccco1 ZINC000000263086 201454578 /nfs/dbraw/zinc/45/45/78/201454578.db2.gz DCYYUEJSLXHGPW-AWEZNQCLSA-N 0 0 334.460 5.225 50 0 EKAARN CC(C)CCN(C(=S)Nc1ccccc1F)[C@H](C)c1ccco1 ZINC000000263091 563989788 /nfs/dbraw/zinc/98/97/88/563989788.db2.gz DCYYUEJSLXHGPW-CQSZACIVSA-N 0 0 334.460 5.225 50 0 EKAARN COc1cccc(NC(=S)N(CCC(C)C)[C@@H](C)c2ccco2)c1 ZINC000000263097 563989787 /nfs/dbraw/zinc/98/97/87/563989787.db2.gz TZPXXYLGKLWMIV-HNNXBMFYSA-N 0 0 346.496 5.094 50 0 EKAARN COc1cccc(NC(=S)N(CCC(C)C)[C@H](C)c2ccco2)c1 ZINC000000263100 563989783 /nfs/dbraw/zinc/98/97/83/563989783.db2.gz TZPXXYLGKLWMIV-OAHLLOKOSA-N 0 0 346.496 5.094 50 0 EKAARN Cc1cccc(NC(=S)N(CCC(C)C)[C@@H](C)c2ccco2)c1 ZINC000000263105 563989797 /nfs/dbraw/zinc/98/97/97/563989797.db2.gz BGUSDJDBPJNEMQ-INIZCTEOSA-N 0 0 330.497 5.394 50 0 EKAARN Cc1cccc(NC(=S)N(CCC(C)C)[C@H](C)c2ccco2)c1 ZINC000000263109 209509126 /nfs/dbraw/zinc/50/91/26/209509126.db2.gz BGUSDJDBPJNEMQ-MRXNPFEDSA-N 0 0 330.497 5.394 50 0 EKAARN CC(C)CCN(C(=S)Nc1cccc(F)c1)[C@H](C)c1ccco1 ZINC000000263115 563989806 /nfs/dbraw/zinc/98/98/06/563989806.db2.gz LCILHLPPUJISQF-CQSZACIVSA-N 0 0 334.460 5.225 50 0 EKAARN CCc1ccccc1NC(=S)N(CCC(C)C)[C@@H](C)c1ccco1 ZINC000000263119 563989811 /nfs/dbraw/zinc/98/98/11/563989811.db2.gz ZXSCOJDPFXFYSE-INIZCTEOSA-N 0 0 344.524 5.648 50 0 EKAARN CCc1ccccc1NC(=S)N(CCC(C)C)[C@H](C)c1ccco1 ZINC000000263124 563989791 /nfs/dbraw/zinc/98/97/91/563989791.db2.gz ZXSCOJDPFXFYSE-MRXNPFEDSA-N 0 0 344.524 5.648 50 0 EKAARN Cc1ccc(NC(=S)N(CCC(C)C)[C@@H](C)c2ccco2)cc1 ZINC000000263126 563989799 /nfs/dbraw/zinc/98/97/99/563989799.db2.gz XUZMWZZVFNPLBK-INIZCTEOSA-N 0 0 330.497 5.394 50 0 EKAARN Cc1ccc(NC(=S)N(CCC(C)C)[C@H](C)c2ccco2)cc1 ZINC000000263130 563989796 /nfs/dbraw/zinc/98/97/96/563989796.db2.gz XUZMWZZVFNPLBK-MRXNPFEDSA-N 0 0 330.497 5.394 50 0 EKAARN Cc1ccc(NC(=S)N(CCC(C)C)[C@@H](C)c2ccco2)cc1F ZINC000000263133 563989803 /nfs/dbraw/zinc/98/98/03/563989803.db2.gz ZSVWVIXKZWOQIP-HNNXBMFYSA-N 0 0 348.487 5.533 50 0 EKAARN Cc1ccc(NC(=S)N(CCC(C)C)[C@H](C)c2ccco2)cc1F ZINC000000263138 209509359 /nfs/dbraw/zinc/50/93/59/209509359.db2.gz ZSVWVIXKZWOQIP-OAHLLOKOSA-N 0 0 348.487 5.533 50 0 EKAARN Cc1cccc(CSCc2ccc(C(=O)NC3CCCCC3)o2)c1 ZINC000000263169 518190422 /nfs/dbraw/zinc/19/04/22/518190422.db2.gz QDKBHQHOIKHGGD-UHFFFAOYSA-N 0 0 343.492 5.084 50 0 EKAARN CCc1ccc(NC(=O)NC[C@@H](C)CSc2ccc(C)cc2)cc1 ZINC000000263198 209509385 /nfs/dbraw/zinc/50/93/85/209509385.db2.gz VHJIPPCUIWBQAF-MRXNPFEDSA-N 0 0 342.508 5.107 50 0 EKAARN Cc1cccc(NC(=S)N(Cc2ccco2)[C@H](C)c2ccco2)c1 ZINC000000263325 209509828 /nfs/dbraw/zinc/50/98/28/209509828.db2.gz HKNKUGSTCRMEAG-OAHLLOKOSA-N 0 0 340.448 5.141 50 0 EKAARN Cc1cccc(NC(=S)N(CCC(C)C)[C@@H](C)c2cccs2)c1 ZINC000000263340 563989792 /nfs/dbraw/zinc/98/97/92/563989792.db2.gz AQGDBZACVXGQNH-INIZCTEOSA-N 0 0 346.565 5.863 50 0 EKAARN Cc1cccc(NC(=S)N(CCC(C)C)[C@H](C)c2cccs2)c1 ZINC000000263342 563989804 /nfs/dbraw/zinc/98/98/04/563989804.db2.gz AQGDBZACVXGQNH-MRXNPFEDSA-N 0 0 346.565 5.863 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@@H](C)c1cccs1 ZINC000000263344 563989793 /nfs/dbraw/zinc/98/97/93/563989793.db2.gz OKOXXUBEOWPNSI-INIZCTEOSA-N 0 0 346.565 5.863 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@H](C)c1cccs1 ZINC000000263346 563989794 /nfs/dbraw/zinc/98/97/94/563989794.db2.gz OKOXXUBEOWPNSI-MRXNPFEDSA-N 0 0 346.565 5.863 50 0 EKAARN Cc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2cccs2)cc1C ZINC000000263427 563989786 /nfs/dbraw/zinc/98/97/86/563989786.db2.gz ZNIFVXHQBJHAKQ-KRWDZBQOSA-N 0 0 344.524 6.006 50 0 EKAARN Cc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2cccs2)cc1C ZINC000000263429 563989785 /nfs/dbraw/zinc/98/97/85/563989785.db2.gz ZNIFVXHQBJHAKQ-QGZVFWFLSA-N 0 0 344.524 6.006 50 0 EKAARN CCc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2cccs2)cc1 ZINC000000263441 563989808 /nfs/dbraw/zinc/98/98/08/563989808.db2.gz KOSZWXIRTPDSHF-INIZCTEOSA-N 0 0 344.524 5.952 50 0 EKAARN CCc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2cccs2)cc1 ZINC000000263446 563989801 /nfs/dbraw/zinc/98/98/01/563989801.db2.gz KOSZWXIRTPDSHF-MRXNPFEDSA-N 0 0 344.524 5.952 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](c2ccccc2)C1 ZINC000000263493 563989795 /nfs/dbraw/zinc/98/97/95/563989795.db2.gz MVZPGQMXAAHSIF-ZDUSSCGKSA-N 0 0 335.234 5.015 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000000263498 563989789 /nfs/dbraw/zinc/98/97/89/563989789.db2.gz MVZPGQMXAAHSIF-CYBMUJFWSA-N 0 0 335.234 5.015 50 0 EKAARN COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000000263537 209509958 /nfs/dbraw/zinc/50/99/58/209509958.db2.gz IVMINDZVEQVMTN-UHFFFAOYSA-N 0 0 346.213 5.408 50 0 EKAARN Cc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2ccccn2)cc1C ZINC000000263743 563989834 /nfs/dbraw/zinc/98/98/34/563989834.db2.gz HEDYSPIRVLSOFW-SFHVURJKSA-N 0 0 339.483 5.340 50 0 EKAARN Cc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2ccccn2)cc1C ZINC000000263751 563989815 /nfs/dbraw/zinc/98/98/15/563989815.db2.gz HEDYSPIRVLSOFW-GOSISDBHSA-N 0 0 339.483 5.340 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@@H](C)c1ccncc1 ZINC000000263978 563989827 /nfs/dbraw/zinc/98/98/27/563989827.db2.gz OSDBDSYMMQGATL-KRWDZBQOSA-N 0 0 341.524 5.196 50 0 EKAARN Cc1ccccc1NC(=S)N(CCC(C)C)[C@H](C)c1ccncc1 ZINC000000263984 563989845 /nfs/dbraw/zinc/98/98/45/563989845.db2.gz OSDBDSYMMQGATL-QGZVFWFLSA-N 0 0 341.524 5.196 50 0 EKAARN CCc1ccc(NC(=O)Nc2ccc(C)c(C)c2-n2cccc2)cc1 ZINC000000264011 209509404 /nfs/dbraw/zinc/50/94/04/209509404.db2.gz VDAYBJMDQPXIJK-UHFFFAOYSA-N 0 0 333.435 5.301 50 0 EKAARN CCc1cccc(NC(=S)Nc2ccc(C)c(C)c2-n2cccc2)c1 ZINC000000264014 201455303 /nfs/dbraw/zinc/45/53/03/201455303.db2.gz GUVWNJUWFSFACG-UHFFFAOYSA-N 0 0 349.503 5.465 50 0 EKAARN Cc1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1 ZINC000000264413 563989888 /nfs/dbraw/zinc/98/98/88/563989888.db2.gz XYUWJCXWENDQJR-UHFFFAOYSA-N 0 0 341.439 5.611 50 0 EKAARN Cc1cccc(C(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c1 ZINC000000264556 563989866 /nfs/dbraw/zinc/98/98/66/563989866.db2.gz YRQUQZJKLAYDHN-UHFFFAOYSA-N 0 0 332.186 5.069 50 0 EKAARN Clc1ccc(OCc2c(Cl)cccc2Cl)c2ncccc12 ZINC000000264942 209510808 /nfs/dbraw/zinc/51/08/08/209510808.db2.gz XKTBXNMYNYIRFI-UHFFFAOYSA-N 0 0 338.621 5.774 50 0 EKAARN Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000000265169 563989950 /nfs/dbraw/zinc/98/99/50/563989950.db2.gz ASWFJLOATVDICA-UHFFFAOYSA-N 0 0 339.394 5.565 50 0 EKAARN O=C(COc1cccc2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000000265238 209510499 /nfs/dbraw/zinc/51/04/99/209510499.db2.gz GURBHWNAQSMFFO-UHFFFAOYSA-N 0 0 346.213 5.164 50 0 EKAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1-n1c(C)ccc1C ZINC000000266061 563989943 /nfs/dbraw/zinc/98/99/43/563989943.db2.gz OBYYTJYURDKIDM-UHFFFAOYSA-N 0 0 343.423 5.138 50 0 EKAARN Cc1ccc(NC(=O)c2ccccc2Cl)c(C(=O)c2ccccc2)c1 ZINC000000266067 563989940 /nfs/dbraw/zinc/98/99/40/563989940.db2.gz TZJXXGMNUMQKQY-UHFFFAOYSA-N 0 0 349.817 5.132 50 0 EKAARN COc1ccc(C2=C[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000000266397 564090483 /nfs/dbraw/zinc/09/04/83/564090483.db2.gz LUANHEMKNMMQAQ-IBGZPJMESA-N 0 0 344.410 5.269 50 0 EKAARN COc1ccc(C2=C[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000000266398 209510797 /nfs/dbraw/zinc/51/07/97/209510797.db2.gz LUANHEMKNMMQAQ-LJQANCHMSA-N 0 0 344.410 5.269 50 0 EKAARN CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1)c1ccccc21 ZINC000000266492 563268778 /nfs/dbraw/zinc/26/87/78/563268778.db2.gz NUDHZECURIPRFD-UHFFFAOYSA-N 0 0 344.366 5.316 50 0 EKAARN Brc1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000266924 563268855 /nfs/dbraw/zinc/26/88/55/563268855.db2.gz FGZLUFYNFJLYFZ-UHFFFAOYSA-N 0 0 336.279 5.351 50 0 EKAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CC1 ZINC000000266976 563268740 /nfs/dbraw/zinc/26/87/40/563268740.db2.gz QOMJYNMOZDCCPS-UHFFFAOYSA-N 0 0 335.428 5.080 50 0 EKAARN Cc1cc(C)c2c(c1)C(C)=CC(C)(C)N2C(=O)NC1CCCCC1 ZINC000000267084 563268836 /nfs/dbraw/zinc/26/88/36/563268836.db2.gz ITAHPHXJLRVPLY-UHFFFAOYSA-N 0 0 326.484 5.348 50 0 EKAARN O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000267356 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ZINC000000396666 564118881 /nfs/dbraw/zinc/11/88/81/564118881.db2.gz MHLHJGYLVJRDJY-UHFFFAOYSA-N 0 0 326.783 5.116 50 0 EKAARN O=C(Nc1ccccc1Cl)Oc1ccc(Cl)c2cccnc12 ZINC000000396674 209568829 /nfs/dbraw/zinc/56/88/29/209568829.db2.gz KLNLWKDIPWGVHJ-UHFFFAOYSA-N 0 0 333.174 5.153 50 0 EKAARN Cc1ccc(NC(=O)Oc2ccc(Cl)c3cccnc23)cc1Cl ZINC000000396692 564075920 /nfs/dbraw/zinc/07/59/20/564075920.db2.gz ZHBHHTPLJMLJAF-UHFFFAOYSA-N 0 0 347.201 5.461 50 0 EKAARN Cc1ccc2cccc(OC(=O)Nc3cc(Cl)ccc3Cl)c2n1 ZINC000000396695 563304889 /nfs/dbraw/zinc/30/48/89/563304889.db2.gz YWXMPLSTCQLRLW-UHFFFAOYSA-N 0 0 347.201 5.461 50 0 EKAARN Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1C ZINC000000396753 564118878 /nfs/dbraw/zinc/11/88/78/564118878.db2.gz VZSZQHIQEBFQCB-UHFFFAOYSA-N 0 0 344.458 5.538 50 0 EKAARN Cc1ccc(NC(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 ZINC000000396772 209568344 /nfs/dbraw/zinc/56/83/44/209568344.db2.gz GKHMXFRVRNAPHJ-UHFFFAOYSA-N 0 0 326.783 5.116 50 0 EKAARN O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2ccccc12 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564075932 /nfs/dbraw/zinc/07/59/32/564075932.db2.gz FDHUOIRYWIWJAM-UHFFFAOYSA-N 0 0 329.614 5.599 50 0 EKAARN O=C(Nc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl ZINC000000397972 563305169 /nfs/dbraw/zinc/30/51/69/563305169.db2.gz XNMAYNHZFCDHTH-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN O=C(Nc1c(Cl)cccc1Cl)c1ccccc1Br ZINC000000397973 564075941 /nfs/dbraw/zinc/07/59/41/564075941.db2.gz ANPIQKCKVWGLBA-UHFFFAOYSA-N 0 0 345.023 5.008 50 0 EKAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Cl ZINC000000397985 563305120 /nfs/dbraw/zinc/30/51/20/563305120.db2.gz RLSRXHYYHXROPQ-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN Cc1ccc2cccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)c2n1 ZINC000000397992 201467863 /nfs/dbraw/zinc/46/78/63/201467863.db2.gz AJBCHDSAZCFDPH-UHFFFAOYSA-N 0 0 347.201 5.461 50 0 EKAARN O=C(NCCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000398048 564075961 /nfs/dbraw/zinc/07/59/61/564075961.db2.gz VBHFFIRHFZAQRZ-UHFFFAOYSA-N 0 0 343.641 5.011 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Oc1cccc2c(Cl)ccnc12 ZINC000000398051 563305131 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HWNXVZUDBJZXCW-UHFFFAOYSA-N 0 0 333.460 5.732 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccsc1)c2Nc1c(C)cccc1C ZINC000000426789 563998602 /nfs/dbraw/zinc/99/86/02/563998602.db2.gz FRYIXWBMVLUMFM-UHFFFAOYSA-N 0 0 333.460 5.732 50 0 aggregator EKAARN Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2ccccn21 ZINC000000426790 563998600 /nfs/dbraw/zinc/99/86/00/563998600.db2.gz BLXTWJXLSNSZAX-UHFFFAOYSA-N 0 0 331.394 5.501 50 0 EKAARN Cc1ccc2nc(-c3ccccc3F)c(Nc3c(C)cccc3C)n2c1 ZINC000000426791 563998627 /nfs/dbraw/zinc/99/86/27/563998627.db2.gz PBCAWVNPSZTFHT-UHFFFAOYSA-N 0 0 345.421 5.809 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccs1)c2Nc1c(C)cccc1C ZINC000000426793 209590309 /nfs/dbraw/zinc/59/03/09/209590309.db2.gz ABRJRLFKSYOWOT-UHFFFAOYSA-N 0 0 333.460 5.732 50 0 EKAARN Cc1ccc2nc(-c3cccs3)c(Nc3c(C)cccc3C)n2c1 ZINC000000426794 563998609 /nfs/dbraw/zinc/99/86/09/563998609.db2.gz RWSLTXBMOOYZMS-UHFFFAOYSA-N 0 0 333.460 5.732 50 0 EKAARN CSc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 ZINC000000426796 563998636 /nfs/dbraw/zinc/99/86/36/563998636.db2.gz CZWRMZNDFSJMCU-UHFFFAOYSA-N 0 0 337.492 5.468 50 0 EKAARN Cc1ccc2nc(-c3ccccc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426797 563998621 /nfs/dbraw/zinc/99/86/21/563998621.db2.gz LGUWXKSLAIMZNT-UHFFFAOYSA-N 0 0 333.822 5.707 50 0 EKAARN Cc1ccc2nc(-c3cccs3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426798 563998611 /nfs/dbraw/zinc/99/86/11/563998611.db2.gz YZCFSZVFDLYSMN-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426799 563998624 /nfs/dbraw/zinc/99/86/24/563998624.db2.gz OFVSJBUKVZZBCL-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN COc1ccc(-c2nc3ccccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000000426801 563998596 /nfs/dbraw/zinc/99/85/96/563998596.db2.gz VNDDDXAJFXIUGT-UHFFFAOYSA-N 0 0 349.821 5.407 50 0 EKAARN Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426805 563998619 /nfs/dbraw/zinc/99/86/19/563998619.db2.gz QRLKDFHSDKYFBT-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccs1)c2Nc1ccc(C(C)C)cc1 ZINC000000427500 563998686 /nfs/dbraw/zinc/99/86/86/563998686.db2.gz ZQIGPHJCLUTRFS-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccnc1)c2Nc1ccc(C(C)C)cc1 ZINC000000427501 563998676 /nfs/dbraw/zinc/99/86/76/563998676.db2.gz QIDLUIOASJTNDD-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccsc1)c2Nc1ccc(C(C)C)cc1 ZINC000000427504 563998700 /nfs/dbraw/zinc/99/87/00/563998700.db2.gz XBWYFYDBIICMIS-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Cc1ccc2nc(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427507 563998714 /nfs/dbraw/zinc/99/87/14/563998714.db2.gz BTUZZQAWGAPRQV-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Cc1ccc2nc(-c3cccnc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427508 563998754 /nfs/dbraw/zinc/99/87/54/563998754.db2.gz AYKBKDRFVWMVEA-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN Cc1ccc2nc(-c3ccncc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427509 209592945 /nfs/dbraw/zinc/59/29/45/209592945.db2.gz HCRBDNYTUYCOFE-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427512 563998702 /nfs/dbraw/zinc/99/87/02/563998702.db2.gz QOHMBDGDDHZINW-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Cc1cccc2nc(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427515 563998708 /nfs/dbraw/zinc/99/87/08/563998708.db2.gz VHRHPJYDGLCKTC-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Cc1cccc2nc(-c3cccnc3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427516 563998744 /nfs/dbraw/zinc/99/87/44/563998744.db2.gz PNOHHIWHMPIGRK-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN Cc1cccc2nc(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427517 563998742 /nfs/dbraw/zinc/99/87/42/563998742.db2.gz RYPHSIFYTXHDNK-UHFFFAOYSA-N 0 0 347.487 6.238 50 0 EKAARN Clc1ccc2nc(-c3cccs3)c(Nc3ccccc3)n2c1 ZINC000000427518 563998746 /nfs/dbraw/zinc/99/87/46/563998746.db2.gz OJDLQHHQLZTBLR-UHFFFAOYSA-N 0 0 325.824 5.460 50 0 EKAARN Cc1ccccc1Nc1c(-c2cccs2)nc2ccc(Cl)cn21 ZINC000000427519 563998726 /nfs/dbraw/zinc/99/87/26/563998726.db2.gz UERGEVHRRLNVLH-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccc(Nc2c(-c3cccs3)nc3ccc(Cl)cn32)cc1 ZINC000000427520 563998758 /nfs/dbraw/zinc/99/87/58/563998758.db2.gz BZUQOFDDKKFGIG-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccccc1Nc1c(-c2ccsc2)nc2ccc(Cl)cn21 ZINC000000427521 563998724 /nfs/dbraw/zinc/99/87/24/563998724.db2.gz ZFYAMSSKJIUNGJ-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn32)cc1 ZINC000000427522 563998728 /nfs/dbraw/zinc/99/87/28/563998728.db2.gz HWSMBISUXICWMI-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1cccn2c1nc(-c1ccccc1O)c2Nc1ccccc1C ZINC000000427523 563998740 /nfs/dbraw/zinc/99/87/40/563998740.db2.gz JLCJVLSPLVEMBN-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)cc1 ZINC000000427524 563998748 /nfs/dbraw/zinc/99/87/48/563998748.db2.gz VWBCSGXVBPDELV-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 ZINC000000427525 563998736 /nfs/dbraw/zinc/99/87/36/563998736.db2.gz NVAFREWUCXBRRQ-UHFFFAOYSA-N 0 0 327.431 5.670 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2Nc1ccccc1C ZINC000000427527 563998706 /nfs/dbraw/zinc/99/87/06/563998706.db2.gz GCVXYHNMPRHWJZ-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1ccccc1Nc1c(-c2cccc(O)c2)nc2cccc(C)n21 ZINC000000427528 563998756 /nfs/dbraw/zinc/99/87/56/563998756.db2.gz YVHBMLFYCUCBDF-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2ccccn21 ZINC000000427529 563998704 /nfs/dbraw/zinc/99/87/04/563998704.db2.gz RGINTPKFIJYYEW-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccccc1Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000000427531 563998722 /nfs/dbraw/zinc/99/87/22/563998722.db2.gz FCCHDVMXDQFBES-UHFFFAOYSA-N 0 0 333.822 5.707 50 0 EKAARN COc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1 ZINC000000427532 563998750 /nfs/dbraw/zinc/99/87/50/563998750.db2.gz OSCYYCIWUCRHJY-UHFFFAOYSA-N 0 0 343.430 5.370 50 0 EKAARN Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccccn21 ZINC000000427535 563998730 /nfs/dbraw/zinc/99/87/30/563998730.db2.gz SXUOMENIHANYCJ-UHFFFAOYSA-N 0 0 342.446 5.119 50 0 EKAARN Cc1cccn2c1nc(-c1ccc(O)cc1)c2Nc1ccccc1C ZINC000000427540 563998732 /nfs/dbraw/zinc/99/87/32/563998732.db2.gz QIYPLGBZYZVPDK-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)cc1 ZINC000000427542 563998738 /nfs/dbraw/zinc/99/87/38/563998738.db2.gz CEOTVXDFRXIJEJ-UHFFFAOYSA-N 0 0 327.431 5.670 50 0 EKAARN Cc1ccc(-c2nc3cc(C)ccn3c2Nc2ccccc2C)cc1 ZINC000000427543 563998716 /nfs/dbraw/zinc/99/87/16/563998716.db2.gz XSHWWHIZFHZNSY-UHFFFAOYSA-N 0 0 327.431 5.670 50 0 EKAARN Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccccc2C)cc1 ZINC000000427544 563998734 /nfs/dbraw/zinc/99/87/34/563998734.db2.gz VJYVKASOLCLQGO-UHFFFAOYSA-N 0 0 327.431 5.670 50 0 EKAARN COc1ccc(-c2nc3ccccn3c2Nc2ccccc2C)cc1 ZINC000000427545 563998712 /nfs/dbraw/zinc/99/87/12/563998712.db2.gz IXUPVXDHARHNGG-UHFFFAOYSA-N 0 0 329.403 5.062 50 0 EKAARN Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccccn21 ZINC000000427546 563998710 /nfs/dbraw/zinc/99/87/10/563998710.db2.gz WYIMIEZNTGADTR-UHFFFAOYSA-N 0 0 333.822 5.707 50 0 EKAARN Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000000427547 563998752 /nfs/dbraw/zinc/99/87/52/563998752.db2.gz BEHNKCPKAMRFQW-UHFFFAOYSA-N 0 0 333.822 5.707 50 0 EKAARN Cc1ccc2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3C)n2c1 ZINC000000427548 563998720 /nfs/dbraw/zinc/99/87/20/563998720.db2.gz HITZAUBUYFNDDA-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccc2nc(-c3cccc(Cl)c3)c(Nc3ccccc3C)n2c1 ZINC000000427549 563998718 /nfs/dbraw/zinc/99/87/18/563998718.db2.gz ONROJFGIZBBFSK-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ncccn21 ZINC000000427550 563998785 /nfs/dbraw/zinc/99/87/85/563998785.db2.gz JSYGDDCRPLVETJ-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccccc2C)cc1 ZINC000000427551 563998778 /nfs/dbraw/zinc/99/87/78/563998778.db2.gz DTRNWIICWQFTCP-UHFFFAOYSA-N 0 0 343.430 5.370 50 0 EKAARN Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3ccc(Cl)cn32)cc1 ZINC000000427552 563998803 /nfs/dbraw/zinc/99/88/03/563998803.db2.gz JHOKGCSIVYJYKE-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3ccc(C)cn32)cc1 ZINC000000427553 563998813 /nfs/dbraw/zinc/99/88/13/563998813.db2.gz MTJOJGIOCOOCIP-UHFFFAOYSA-N 0 0 327.431 5.670 50 0 EKAARN COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1 ZINC000000427555 563998805 /nfs/dbraw/zinc/99/88/05/563998805.db2.gz XNLUPQFAWFFJOL-UHFFFAOYSA-N 0 0 343.430 5.370 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccc(Cl)cc1)c2Nc1ccccc1C ZINC000000427556 563998772 /nfs/dbraw/zinc/99/87/72/563998772.db2.gz IQOMDPYNTLBDNS-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccc(Cl)c1)c2Nc1ccccc1C ZINC000000427557 563998788 /nfs/dbraw/zinc/99/87/88/563998788.db2.gz PNUGCBHPNTWHNS-UHFFFAOYSA-N 0 0 347.849 6.015 50 0 EKAARN Cc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)s1 ZINC000000427558 563998766 /nfs/dbraw/zinc/99/87/66/563998766.db2.gz WLKVYZAEDKDURD-UHFFFAOYSA-N 0 0 333.460 5.732 50 0 EKAARN Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)s1 ZINC000000427559 563998794 /nfs/dbraw/zinc/99/87/94/563998794.db2.gz XSENOIRYIVQWCX-UHFFFAOYSA-N 0 0 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ZINC000000488935 209632128 /nfs/dbraw/zinc/63/21/28/209632128.db2.gz JKYUOTQIOPAHCS-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN CCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3c(C)c2oc1=O ZINC000000488937 564017410 /nfs/dbraw/zinc/01/74/10/564017410.db2.gz DRSHVUUQVVBWKD-UHFFFAOYSA-N 0 0 348.398 5.394 50 0 EKAARN COc1cccc(-c2coc3c2cc2c(C)c(C)c(=O)oc2c3C)c1 ZINC000000488943 564017426 /nfs/dbraw/zinc/01/74/26/564017426.db2.gz VQUDTBJMBICPQQ-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN CCCc1cc(=O)oc2cc3occ(-c4cccc(OC)c4)c3cc12 ZINC000000488966 201480202 /nfs/dbraw/zinc/48/02/02/201480202.db2.gz ZBAMRVXEULULTN-UHFFFAOYSA-N 0 0 334.371 5.167 50 0 EKAARN CCCc1cc(=O)oc2cc(C)c3c(-c4cccc(OC)c4)coc3c12 ZINC000000488972 209632586 /nfs/dbraw/zinc/63/25/86/209632586.db2.gz MIAXLZHORQUWNJ-UHFFFAOYSA-N 0 0 348.398 5.476 50 0 EKAARN CCCc1cc(=O)oc2c(C)c3occ(-c4cccc(OC)c4)c3cc12 ZINC000000488995 209632191 /nfs/dbraw/zinc/63/21/91/209632191.db2.gz GGBLIODENUECSL-UHFFFAOYSA-N 0 0 348.398 5.476 50 0 EKAARN COc1ccc(-c2coc3cc4oc(=O)c(C(C)C)c(C)c4cc32)cc1 ZINC000000489019 564017392 /nfs/dbraw/zinc/01/73/92/564017392.db2.gz QQGWFYITNBEGFT-UHFFFAOYSA-N 0 0 348.398 5.647 50 0 EKAARN Cc1cc(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 ZINC000000489027 209632406 /nfs/dbraw/zinc/63/24/06/209632406.db2.gz JTBGFJPCHRNWRB-UHFFFAOYSA-N 0 0 340.378 5.976 50 0 EKAARN O=c1oc2cc3occ(-c4ccccc4)c3cc2c2c1CCCCC2 ZINC000000489231 564017534 /nfs/dbraw/zinc/01/75/34/564017534.db2.gz DICUIUAWNJZSBP-UHFFFAOYSA-N 0 0 330.383 5.475 50 0 EKAARN Cc1oc2cc3oc(=O)c4c(c3cc2c1-c1ccccc1)CCCCC4 ZINC000000489299 564017487 /nfs/dbraw/zinc/01/74/87/564017487.db2.gz LEOSSFUSKMWPAY-UHFFFAOYSA-N 0 0 344.410 5.784 50 0 EKAARN CCOc1ccc(NC(=O)C[C@@H](Cc2ccccc2)c2ccco2)cc1 ZINC000000489305 564017486 /nfs/dbraw/zinc/01/74/86/564017486.db2.gz SXLVDVFIDYKDHJ-GOSISDBHSA-N 0 0 349.430 5.033 50 0 EKAARN CCOc1ccc(NC(=O)C[C@H](Cc2ccccc2)c2ccco2)cc1 ZINC000000489306 564017502 /nfs/dbraw/zinc/01/75/02/564017502.db2.gz SXLVDVFIDYKDHJ-SFHVURJKSA-N 0 0 349.430 5.033 50 0 EKAARN Cc1cc2oc(=O)cc(C)c2c2occ(-c3ccc4ccccc4c3)c21 ZINC000000489321 201480159 /nfs/dbraw/zinc/48/01/59/201480159.db2.gz GMCILVHUEICTDP-UHFFFAOYSA-N 0 0 340.378 5.976 50 0 EKAARN COc1cccc2cc(-c3cc(=O)oc4cc5c(cc43)CCCC5)oc21 ZINC000000489371 201357889 /nfs/dbraw/zinc/35/78/89/201357889.db2.gz KAJZBFVTDCPFNQ-UHFFFAOYSA-N 0 0 346.382 5.094 50 0 EKAARN CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 ZINC000000489493 564017526 /nfs/dbraw/zinc/01/75/26/564017526.db2.gz LCWHOMOZMJEPEV-JOCHJYFZSA-N 0 0 345.527 5.047 50 0 EKAARN CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 ZINC000000489494 564017518 /nfs/dbraw/zinc/01/75/18/564017518.db2.gz LCWHOMOZMJEPEV-QFIPXVFZSA-N 0 0 345.527 5.047 50 0 EKAARN COc1ccc(-c2cc(=O)oc3cc4occ(C(C)(C)C)c4cc32)cc1 ZINC000000489540 209633078 /nfs/dbraw/zinc/63/30/78/209633078.db2.gz QENHSRNRJAAHPX-UHFFFAOYSA-N 0 0 348.398 5.512 50 0 EKAARN Cc1c2cc3c(cc2oc(=O)c1C(C)C)occ3-c1ccc(F)cc1 ZINC000000489597 564017531 /nfs/dbraw/zinc/01/75/31/564017531.db2.gz XOLHXJUHZGMBOD-UHFFFAOYSA-N 0 0 336.362 5.777 50 0 EKAARN O=c1oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCCCC2 ZINC000000489651 209632363 /nfs/dbraw/zinc/63/23/63/209632363.db2.gz CXIFRPWRFKNITK-UHFFFAOYSA-N 0 0 348.373 5.614 50 0 EKAARN COc1ccc2c(C)c(-c3cc(=O)oc4cc5c(cc43)CCC5)oc2c1 ZINC000000489784 564017558 /nfs/dbraw/zinc/01/75/58/564017558.db2.gz CSXFARLRJHBOTP-UHFFFAOYSA-N 0 0 346.382 5.012 50 0 EKAARN Cc1c2oc(=O)c3c(c2cc2c1O[C@@H](c1ccccc1)CC2)CCCC3 ZINC000000489830 564017563 /nfs/dbraw/zinc/01/75/63/564017563.db2.gz QUBZXOAQHHPLAO-HXUWFJFHSA-N 0 0 346.426 5.047 50 0 EKAARN Cc1c2oc(=O)c3c(c2cc2c1O[C@H](c1ccccc1)CC2)CCCC3 ZINC000000489831 209633558 /nfs/dbraw/zinc/63/35/58/209633558.db2.gz QUBZXOAQHHPLAO-FQEVSTJZSA-N 0 0 346.426 5.047 50 0 EKAARN Cc1ccccc1COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000000489966 201357925 /nfs/dbraw/zinc/35/79/25/201357925.db2.gz DWKSFAHQRKAKNX-UHFFFAOYSA-N 0 0 342.394 5.347 50 0 EKAARN Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000000490018 564090573 /nfs/dbraw/zinc/09/05/73/564090573.db2.gz ANTPLZFFFWCICZ-UHFFFAOYSA-N 0 0 342.394 5.347 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4c(C)c(C)ccc34)oc21 ZINC000000490054 564017577 /nfs/dbraw/zinc/01/75/77/564017577.db2.gz WZEUAWMPIIRBSX-UHFFFAOYSA-N 0 0 334.371 5.222 50 0 EKAARN COc1ccc2c(C)c(-c3cc(=O)oc4c(C)c(C)ccc34)oc2c1 ZINC000000490295 564017574 /nfs/dbraw/zinc/01/75/74/564017574.db2.gz IDEUTQMIDRMGGS-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN Cc1c2cc(C)ccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3 ZINC000000490358 209634421 /nfs/dbraw/zinc/63/44/21/209634421.db2.gz BRIMKPLEAXISRI-UHFFFAOYSA-N 0 0 330.383 5.312 50 0 EKAARN Cc1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCCC3 ZINC000000490371 564017579 /nfs/dbraw/zinc/01/75/79/564017579.db2.gz MGDACAJXVFWMJD-UHFFFAOYSA-N 0 0 330.383 5.393 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000000490376 564017571 /nfs/dbraw/zinc/01/75/71/564017571.db2.gz NCLCHOBYPWZXOJ-UHFFFAOYSA-N 0 0 346.382 5.094 50 0 EKAARN COc1cccc2cc(-c3cc(=O)oc4ccc(C(C)C)cc43)oc21 ZINC000000490414 209633894 /nfs/dbraw/zinc/63/38/94/209633894.db2.gz DKNARBIBABSNPF-UHFFFAOYSA-N 0 0 334.371 5.338 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4c(C)cc(C)cc34)oc21 ZINC000000490706 564017566 /nfs/dbraw/zinc/01/75/66/564017566.db2.gz APCKXNZSZZTTNT-UHFFFAOYSA-N 0 0 334.371 5.222 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4ccc(C(C)C)cc43)oc21 ZINC000000491127 564017581 /nfs/dbraw/zinc/01/75/81/564017581.db2.gz XYNKPESGJIWXLR-UHFFFAOYSA-N 0 0 348.398 5.728 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(C)cc43)oc21 ZINC000000491142 209633834 /nfs/dbraw/zinc/63/38/34/209633834.db2.gz NKVNUGWGRSRNTO-UHFFFAOYSA-N 0 0 334.371 5.222 50 0 EKAARN Cc1c2cc(Cl)ccc2oc1-c1cc(=O)oc2c(C)cc(C)cc12 ZINC000000491156 201358103 /nfs/dbraw/zinc/35/81/03/201358103.db2.gz WSTHTRXVTPBMKX-UHFFFAOYSA-N 0 0 338.790 5.785 50 0 EKAARN CCOc1cccc2cc(-c3cc(=O)oc4ccc(CC)cc43)oc21 ZINC000000491169 564017608 /nfs/dbraw/zinc/01/76/08/564017608.db2.gz BFCRXKDYCPCQNU-UHFFFAOYSA-N 0 0 334.371 5.167 50 0 EKAARN COc1ccc2c(c1)oc(=O)cc2-c1oc2ccc(Cl)cc2c1C ZINC000000491190 564017602 /nfs/dbraw/zinc/01/76/02/564017602.db2.gz CQTKIDBESGKANR-UHFFFAOYSA-N 0 0 340.762 5.177 50 0 EKAARN Cc1c2cc(Cl)ccc2oc1-c1cc(=O)oc2c(C)c(C)ccc12 ZINC000000491191 209633407 /nfs/dbraw/zinc/63/34/07/209633407.db2.gz WPZHJPAPHSAEDT-UHFFFAOYSA-N 0 0 338.790 5.785 50 0 EKAARN Cc1c2cc(Cl)ccc2oc1-c1cc(=O)oc2cc(C)c(C)cc21 ZINC000000491222 564017615 /nfs/dbraw/zinc/01/76/15/564017615.db2.gz JVVQTEBZNYJSFR-UHFFFAOYSA-N 0 0 338.790 5.785 50 0 EKAARN COc1ccc2c(C)c(-c3cc(=O)oc4cc(C)c(C)cc43)oc2c1 ZINC000000491280 564017604 /nfs/dbraw/zinc/01/76/04/564017604.db2.gz FPPBCGCTTHMKFK-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN COc1cccc2cc(-c3cc(=O)oc4ccc(C(C)(C)C)cc43)oc21 ZINC000000491370 201357788 /nfs/dbraw/zinc/35/77/88/201357788.db2.gz DPVORKIRCYPAPH-UHFFFAOYSA-N 0 0 348.398 5.512 50 0 EKAARN COc1ccc2c(C)c(-c3cc(=O)oc4c(C)cc(C)cc34)oc2c1 ZINC000000491373 564017619 /nfs/dbraw/zinc/01/76/19/564017619.db2.gz ULCPLSZGTUKKJU-UHFFFAOYSA-N 0 0 334.371 5.140 50 0 EKAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC000000492097 563338393 /nfs/dbraw/zinc/33/83/93/563338393.db2.gz JUVSKEQTVCGJJA-GFCCVEGCSA-N 0 0 338.234 5.016 50 0 EKAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC000000492098 201480683 /nfs/dbraw/zinc/48/06/83/201480683.db2.gz JUVSKEQTVCGJJA-LBPRGKRZSA-N 0 0 338.234 5.016 50 0 EKAARN c1ccc(-c2nc3nc(-c4ccccc4)cnn3c2-c2ccccc2)cc1 ZINC000000492357 564017643 /nfs/dbraw/zinc/01/76/43/564017643.db2.gz OYTRAIYXPUVZNX-UHFFFAOYSA-N 0 0 348.409 5.125 50 0 aggregator EKAARN O=c1ccc2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1 ZINC000000493775 563338438 /nfs/dbraw/zinc/33/84/38/563338438.db2.gz MHTKRTSHQOGVOQ-UHFFFAOYSA-N 0 0 344.366 5.164 50 0 EKAARN Cc1ccc(-c2cc(-c3ccccc3)n3c4ccccc4nc3n2)cc1 ZINC000000494281 209635076 /nfs/dbraw/zinc/63/50/76/209635076.db2.gz NCJQQVWUHFSQRF-UHFFFAOYSA-N 0 0 335.410 5.525 50 0 EKAARN O=C(Nc1cccc2ccccc21)N[C@H]1CCCC[C@H]1Cc1ccco1 ZINC000000494505 209635677 /nfs/dbraw/zinc/63/56/77/209635677.db2.gz JQZFQBRHCLMOBB-PXNSSMCTSA-N 0 0 348.446 5.356 50 0 EKAARN O=C(Nc1cccc2ccccc21)N[C@@H]1CCCC[C@H]1Cc1ccco1 ZINC000000494506 564017886 /nfs/dbraw/zinc/01/78/86/564017886.db2.gz JQZFQBRHCLMOBB-FXAWDEMLSA-N 0 0 348.446 5.356 50 0 EKAARN O=C(Nc1cccc2ccccc21)N[C@H]1CCCC[C@@H]1Cc1ccco1 ZINC000000494507 564017867 /nfs/dbraw/zinc/01/78/67/564017867.db2.gz JQZFQBRHCLMOBB-XLIONFOSSA-N 0 0 348.446 5.356 50 0 EKAARN O=C(Nc1cccc2ccccc21)N[C@@H]1CCCC[C@@H]1Cc1ccco1 ZINC000000494508 564017888 /nfs/dbraw/zinc/01/78/88/564017888.db2.gz JQZFQBRHCLMOBB-YLJYHZDGSA-N 0 0 348.446 5.356 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC000000494830 564017916 /nfs/dbraw/zinc/01/79/16/564017916.db2.gz MRTWVJIJMXGWAW-UHFFFAOYSA-N 0 0 330.309 5.503 50 0 EKAARN BrC1(Br)[C@@H]2CCCCC[C@@]21c1ccccc1 ZINC000000494880 209634825 /nfs/dbraw/zinc/63/48/25/209634825.db2.gz WCAGTIHPELSEOV-CHWSQXEVSA-N 0 0 344.090 5.004 50 0 EKAARN BrC1(Br)[C@@H]2CCCCC[C@]21c1ccccc1 ZINC000000494881 209635416 /nfs/dbraw/zinc/63/54/16/209635416.db2.gz WCAGTIHPELSEOV-OLZOCXBDSA-N 0 0 344.090 5.004 50 0 EKAARN BrC1(Br)[C@H]2CCCCC[C@@]21c1ccccc1 ZINC000000494882 564017922 /nfs/dbraw/zinc/01/79/22/564017922.db2.gz WCAGTIHPELSEOV-QWHCGFSZSA-N 0 0 344.090 5.004 50 0 EKAARN BrC1(Br)[C@H]2CCCCC[C@]21c1ccccc1 ZINC000000494883 209635307 /nfs/dbraw/zinc/63/53/07/209635307.db2.gz WCAGTIHPELSEOV-STQMWFEESA-N 0 0 344.090 5.004 50 0 EKAARN Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1Cl ZINC000000494889 564017924 /nfs/dbraw/zinc/01/79/24/564017924.db2.gz WBCUXTKEIVNLNS-UHFFFAOYSA-N 0 0 342.023 5.071 50 0 EKAARN Clc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 ZINC000000494898 209635363 /nfs/dbraw/zinc/63/53/63/209635363.db2.gz DYIIVBZAOQSVRX-OAQYLSRUSA-N 0 0 332.834 6.018 50 0 EKAARN Clc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2)cc1 ZINC000000494899 564017911 /nfs/dbraw/zinc/01/79/11/564017911.db2.gz DYIIVBZAOQSVRX-NRFANRHFSA-N 0 0 332.834 6.018 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EKAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000000559148 563347016 /nfs/dbraw/zinc/34/70/16/563347016.db2.gz VTXRSVFHIAGCOS-UHFFFAOYSA-N 0 0 349.261 5.236 50 0 EKAARN CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000000559691 564023142 /nfs/dbraw/zinc/02/31/42/564023142.db2.gz ORSBVRULBLZVLX-UHFFFAOYSA-N 0 0 340.473 5.093 50 0 EKAARN CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000000559770 209663969 /nfs/dbraw/zinc/66/39/69/209663969.db2.gz XZEJZPSLACUCEN-UHFFFAOYSA-N 0 0 344.867 5.601 50 0 EKAARN O=C(Cc1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000000559923 563346962 /nfs/dbraw/zinc/34/69/62/563346962.db2.gz GBKDXJVPDPHBFG-UHFFFAOYSA-N 0 0 344.439 5.145 50 0 EKAARN O=C(c1ccco1)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000560587 201488066 /nfs/dbraw/zinc/48/80/66/201488066.db2.gz NIMITGGTERMEGT-UHFFFAOYSA-N 0 0 335.790 5.167 50 0 EKAARN O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000000560602 564023239 /nfs/dbraw/zinc/02/32/39/564023239.db2.gz IKRFCLVDCGHBLJ-UHFFFAOYSA-N 0 0 335.790 5.167 50 0 EKAARN CCC(=O)c1cn(CCOc2cccc3ccccc32)c2ccccc12 ZINC000000560793 563347438 /nfs/dbraw/zinc/34/74/38/563347438.db2.gz HFFKOLLZQKFWJS-UHFFFAOYSA-N 0 0 343.426 5.466 50 0 EKAARN CCn1c(SCc2ccccc2Cl)nnc1C1CCCCC1 ZINC000000560798 564023278 /nfs/dbraw/zinc/02/32/78/564023278.db2.gz NNFMLOIDRNBXTK-UHFFFAOYSA-N 0 0 335.904 5.291 50 0 EKAARN O=C(c1cn(CCOc2ccccc2)c2ccccc12)C1CCCCC1 ZINC000000561021 564023290 /nfs/dbraw/zinc/02/32/90/564023290.db2.gz MHGXSEPZYSBVHK-UHFFFAOYSA-N 0 0 347.458 5.483 50 0 EKAARN O=C(c1cn(Cc2ccc(F)cc2)c2ccccc12)C1CCCCC1 ZINC000000561033 564023288 /nfs/dbraw/zinc/02/32/88/564023288.db2.gz ZWSSWMBRNJBZOF-UHFFFAOYSA-N 0 0 335.422 5.592 50 0 EKAARN O=C(c1cn(Cc2ccccc2F)c2ccccc12)C1CCCCC1 ZINC000000561034 564023274 /nfs/dbraw/zinc/02/32/74/564023274.db2.gz OEIGAISTKSDCOJ-UHFFFAOYSA-N 0 0 335.422 5.592 50 0 EKAARN CCCn1c2ccccc2nc1[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561718 563347435 /nfs/dbraw/zinc/34/74/35/563347435.db2.gz XPHYWHMVNCSALR-INIZCTEOSA-N 0 0 344.458 5.760 50 0 EKAARN CCCn1c2ccccc2nc1[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561719 563347422 /nfs/dbraw/zinc/34/74/22/563347422.db2.gz XPHYWHMVNCSALR-MRXNPFEDSA-N 0 0 344.458 5.760 50 0 EKAARN COc1ccc2cc([C@H](C)c3nc4ccccc4n3C(C)C)ccc2c1 ZINC000000561758 563347437 /nfs/dbraw/zinc/34/74/37/563347437.db2.gz DGTZMHNHMVULPH-INIZCTEOSA-N 0 0 344.458 5.931 50 0 EKAARN COc1ccc2cc([C@@H](C)c3nc4ccccc4n3C(C)C)ccc2c1 ZINC000000561759 563347414 /nfs/dbraw/zinc/34/74/14/563347414.db2.gz DGTZMHNHMVULPH-MRXNPFEDSA-N 0 0 344.458 5.931 50 0 EKAARN Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccccc2)cc1 ZINC000000562854 564023298 /nfs/dbraw/zinc/02/32/98/564023298.db2.gz WABUGBDKCSNHPM-QFIPXVFZSA-N 0 0 347.483 5.684 50 0 EKAARN Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccccc2)cc1 ZINC000000562855 209666136 /nfs/dbraw/zinc/66/61/36/209666136.db2.gz WABUGBDKCSNHPM-JOCHJYFZSA-N 0 0 347.483 5.684 50 0 EKAARN CC(C)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 ZINC000000563641 563347579 /nfs/dbraw/zinc/34/75/79/563347579.db2.gz NMGFSQGJRIPVSB-UHFFFAOYSA-N 0 0 346.268 5.257 50 0 aggregator EKAARN O=C(CCSc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000000563650 563347626 /nfs/dbraw/zinc/34/76/26/563347626.db2.gz KZFJIQNMJDZAPI-UHFFFAOYSA-N 0 0 326.248 5.114 50 0 EKAARN Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000563732 563347605 /nfs/dbraw/zinc/34/76/05/563347605.db2.gz SFTPZVMIUNHYOY-UHFFFAOYSA-N 0 0 340.275 5.174 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)CSCc1ccccc1Cl ZINC000000564255 563347604 /nfs/dbraw/zinc/34/76/04/563347604.db2.gz BVCBDJBFXXDJQH-UHFFFAOYSA-N 0 0 347.911 5.644 50 0 EKAARN Clc1ccc(Cl)c(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000000564289 563347646 /nfs/dbraw/zinc/34/76/46/563347646.db2.gz MLFHARBNRRJHRG-UHFFFAOYSA-N 0 0 325.582 5.364 50 0 EKAARN Cc1c(Br)ccc(NC(=O)CCC2CCCCC2)c1C ZINC000000564293 563347666 /nfs/dbraw/zinc/34/76/66/563347666.db2.gz DVLWGYYZPMZUJJ-UHFFFAOYSA-N 0 0 338.289 5.365 50 0 EKAARN Fc1cnc(Nc2ccccc2Cl)nc1Nc1ccccc1Cl ZINC000000564555 564023318 /nfs/dbraw/zinc/02/33/18/564023318.db2.gz KXCIDHRTBRMANB-UHFFFAOYSA-N 0 0 349.196 5.410 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1C)c1cccnc1 ZINC000000564577 564023309 /nfs/dbraw/zinc/02/33/09/564023309.db2.gz GQYLQNCLARJUHT-QFIPXVFZSA-N 0 0 327.431 5.381 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1C)c1cccnc1 ZINC000000564579 205486539 /nfs/dbraw/zinc/48/65/39/205486539.db2.gz GQYLQNCLARJUHT-JOCHJYFZSA-N 0 0 327.431 5.381 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(F)cc1)c1cccnc1 ZINC000000564630 564023317 /nfs/dbraw/zinc/02/33/17/564023317.db2.gz XAHFKMWJGJFWHB-OAQYLSRUSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(F)cc1)c1cccnc1 ZINC000000564631 209666387 /nfs/dbraw/zinc/66/63/87/209666387.db2.gz XAHFKMWJGJFWHB-NRFANRHFSA-N 0 0 331.394 5.212 50 0 EKAARN Clc1ccc(-c2nc(-c3ccccc3)c3ccccn32)c(Cl)c1 ZINC000000564700 564023303 /nfs/dbraw/zinc/02/33/03/564023303.db2.gz IYHCAAGYLMDLDG-UHFFFAOYSA-N 0 0 339.225 5.975 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1F)c1ccccn1 ZINC000000564707 564023296 /nfs/dbraw/zinc/02/32/96/564023296.db2.gz WZKMCQLSKOKFCM-OAQYLSRUSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1F)c1ccccn1 ZINC000000564708 209665765 /nfs/dbraw/zinc/66/57/65/209665765.db2.gz WZKMCQLSKOKFCM-NRFANRHFSA-N 0 0 331.394 5.212 50 0 EKAARN O=C(NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000566817 564023361 /nfs/dbraw/zinc/02/33/61/564023361.db2.gz VJZBJUWGYYMCCD-UHFFFAOYSA-N 0 0 346.213 5.183 50 0 EKAARN O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000000566903 563348108 /nfs/dbraw/zinc/34/81/08/563348108.db2.gz SYEXNOZBYFEHDV-UHFFFAOYSA-N 0 0 338.790 5.138 50 0 EKAARN O=C(CCc1c[nH]c2ccccc12)OCc1ccc(Cl)c(Cl)c1 ZINC000000566960 564023360 /nfs/dbraw/zinc/02/33/60/564023360.db2.gz YAAOQVHMJYDPJJ-UHFFFAOYSA-N 0 0 348.229 5.151 50 0 EKAARN O=C(CCc1c[nH]c2ccccc12)OCc1c(Cl)cccc1Cl ZINC000000566963 564023353 /nfs/dbraw/zinc/02/33/53/564023353.db2.gz FHXIWZHIZBCUMQ-UHFFFAOYSA-N 0 0 348.229 5.151 50 0 EKAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000000567028 563348097 /nfs/dbraw/zinc/34/80/97/563348097.db2.gz MIEGUAZIGCNTET-INIZCTEOSA-N 0 0 326.399 5.437 50 0 EKAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000000567031 563348103 /nfs/dbraw/zinc/34/81/03/563348103.db2.gz MIEGUAZIGCNTET-MRXNPFEDSA-N 0 0 326.399 5.437 50 0 EKAARN Clc1ccccc1COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000000567032 563348094 /nfs/dbraw/zinc/34/80/94/563348094.db2.gz DTNFAGHEDXAIAF-UHFFFAOYSA-N 0 0 346.817 5.529 50 0 EKAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000000567237 563348099 /nfs/dbraw/zinc/34/80/99/563348099.db2.gz REKXZQDEOPZHGM-UHFFFAOYSA-N 0 0 344.238 5.253 50 0 EKAARN O=C(CSCc1ccccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000000567296 564023433 /nfs/dbraw/zinc/02/34/33/564023433.db2.gz RUSAJYMUWHQNPS-UHFFFAOYSA-N 0 0 344.238 5.004 50 0 EKAARN COc1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000000567520 209667609 /nfs/dbraw/zinc/66/76/09/209667609.db2.gz KXVIPVNVOOFUMQ-UHFFFAOYSA-N 0 0 349.455 5.240 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3cccc4ccccc43)n2)cc1 ZINC000000567720 205486953 /nfs/dbraw/zinc/48/69/53/205486953.db2.gz LTDMDTOODQKENQ-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000000567769 564023418 /nfs/dbraw/zinc/02/34/18/564023418.db2.gz QASULSILFGTNJL-UHFFFAOYSA-N 0 0 329.252 5.102 50 0 EKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000000567780 564023425 /nfs/dbraw/zinc/02/34/25/564023425.db2.gz CPEFZCQWDUVMOZ-UHFFFAOYSA-N 0 0 348.427 5.019 50 0 EKAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 ZINC000000567784 564023417 /nfs/dbraw/zinc/02/34/17/564023417.db2.gz JLRKXOWUHGBQEL-UHFFFAOYSA-N 0 0 336.460 5.494 50 0 EKAARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccco1 ZINC000000567820 564023456 /nfs/dbraw/zinc/02/34/56/564023456.db2.gz LZYLUVQHNJPXMQ-UHFFFAOYSA-N 0 0 345.232 5.024 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000000567856 209667251 /nfs/dbraw/zinc/66/72/51/209667251.db2.gz UKDDRDIDLHSOSU-UHFFFAOYSA-N 0 0 336.460 5.296 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)c(C)c1 ZINC000000567858 564023455 /nfs/dbraw/zinc/02/34/55/564023455.db2.gz JGJMBKQUGLPFDA-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN CCc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000000567871 205487066 /nfs/dbraw/zinc/48/70/66/205487066.db2.gz MEVWVMIYWXJZJG-UHFFFAOYSA-N 0 0 336.460 5.242 50 0 EKAARN COc1cc2ccccc2cc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000000567897 564023447 /nfs/dbraw/zinc/02/34/47/564023447.db2.gz XTQPZSFYYKRZRK-UHFFFAOYSA-N 0 0 348.427 5.019 50 0 EKAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1 ZINC000000567917 205488270 /nfs/dbraw/zinc/48/82/70/205488270.db2.gz HCJZDJGBTHOGKX-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 EKAARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccco1 ZINC000000568433 563348356 /nfs/dbraw/zinc/34/83/56/563348356.db2.gz AXILRCNTJBELFS-UHFFFAOYSA-N 0 0 337.158 5.203 50 0 EKAARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccnc1 ZINC000000568435 563348277 /nfs/dbraw/zinc/34/82/77/563348277.db2.gz VGWURUOHVUONGT-UHFFFAOYSA-N 0 0 348.185 5.005 50 0 EKAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccccc1 ZINC000000568578 563348388 /nfs/dbraw/zinc/34/83/88/563348388.db2.gz CYYBCCGBHIBIEG-UHFFFAOYSA-N 0 0 347.483 5.469 50 0 EKAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000000568591 563348283 /nfs/dbraw/zinc/34/82/83/563348283.db2.gz YHCUTCUJULUDAQ-UHFFFAOYSA-N 0 0 349.261 5.236 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000000568665 564012778 /nfs/dbraw/zinc/01/27/78/564012778.db2.gz OSNVIVQEEUAUDM-GFCCVEGCSA-N 0 0 332.241 5.215 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000000568666 206242864 /nfs/dbraw/zinc/24/28/64/206242864.db2.gz OSNVIVQEEUAUDM-LBPRGKRZSA-N 0 0 332.241 5.215 50 0 EKAARN CC(C)COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000000568713 201488008 /nfs/dbraw/zinc/48/80/08/201488008.db2.gz VYOPWUCIUIEFOX-UHFFFAOYSA-N 0 0 338.234 5.281 50 0 EKAARN CC(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000000568715 564023549 /nfs/dbraw/zinc/02/35/49/564023549.db2.gz IONCPSKBAWAKEC-UHFFFAOYSA-N 0 0 338.234 5.281 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000000568891 209667076 /nfs/dbraw/zinc/66/70/76/209667076.db2.gz HXLRTIJRXNXEGC-MRXNPFEDSA-N 0 0 333.431 5.371 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000000568892 209667350 /nfs/dbraw/zinc/66/73/50/209667350.db2.gz HXLRTIJRXNXEGC-INIZCTEOSA-N 0 0 333.431 5.371 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000000568895 563348373 /nfs/dbraw/zinc/34/83/73/563348373.db2.gz BTJBLLATPOQKDS-MRXNPFEDSA-N 0 0 333.431 5.371 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000000568896 563348272 /nfs/dbraw/zinc/34/82/72/563348272.db2.gz BTJBLLATPOQKDS-INIZCTEOSA-N 0 0 333.431 5.371 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000568901 209667258 /nfs/dbraw/zinc/66/72/58/209667258.db2.gz FITMRSLNJOQFNG-QGZVFWFLSA-N 0 0 339.479 5.649 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000568902 564023535 /nfs/dbraw/zinc/02/35/35/564023535.db2.gz FITMRSLNJOQFNG-KRWDZBQOSA-N 0 0 339.479 5.649 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)c1ccccc1Br ZINC000000569020 564023546 /nfs/dbraw/zinc/02/35/46/564023546.db2.gz XZIPMNBPFOPRPK-GFCCVEGCSA-N 0 0 332.241 5.215 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)c1ccccc1Br ZINC000000569021 564023551 /nfs/dbraw/zinc/02/35/51/564023551.db2.gz XZIPMNBPFOPRPK-LBPRGKRZSA-N 0 0 332.241 5.215 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000000569022 206243084 /nfs/dbraw/zinc/24/30/84/206243084.db2.gz BOVMFTRRVSBLHX-GFCCVEGCSA-N 0 0 332.241 5.215 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000000569023 206243804 /nfs/dbraw/zinc/24/38/04/206243804.db2.gz BOVMFTRRVSBLHX-LBPRGKRZSA-N 0 0 332.241 5.215 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000000569063 258048725 /nfs/dbraw/zinc/04/87/25/258048725.db2.gz PXUSVAIBMPLYSX-MRXNPFEDSA-N 0 0 325.452 5.487 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000000569064 258048701 /nfs/dbraw/zinc/04/87/01/258048701.db2.gz PXUSVAIBMPLYSX-INIZCTEOSA-N 0 0 325.452 5.487 50 0 EKAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000000569324 564023512 /nfs/dbraw/zinc/02/35/12/564023512.db2.gz AKBKNXQAXDPNED-UHFFFAOYSA-N 0 0 344.867 5.500 50 0 EKAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000000569334 564124953 /nfs/dbraw/zinc/12/49/53/564124953.db2.gz WBCWQZFPIFCQMF-FPYGCLRLSA-N 0 0 349.242 5.255 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000000569385 564023499 /nfs/dbraw/zinc/02/34/99/564023499.db2.gz WKVAZDINFYNXDF-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1Cl ZINC000000569601 564023521 /nfs/dbraw/zinc/02/35/21/564023521.db2.gz XSFXBQUFDMEPOI-UHFFFAOYSA-N 0 0 328.799 5.195 50 0 EKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)CC(C)C ZINC000000569608 564023502 /nfs/dbraw/zinc/02/35/02/564023502.db2.gz KLTXUGICCYGAAU-UHFFFAOYSA-N 0 0 342.826 5.441 50 0 EKAARN Cc1cc2sc(NC(=O)c3ccccc3Cl)nc2cc1Cl ZINC000000569622 257976663 /nfs/dbraw/zinc/97/66/63/257976663.db2.gz SEBBLVNHROREER-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccs4)c3)oc2c1 ZINC000000569645 563348766 /nfs/dbraw/zinc/34/87/66/563348766.db2.gz VTWHCSYNYHEABC-UHFFFAOYSA-N 0 0 348.427 5.425 50 0 EKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 ZINC000000569890 563349002 /nfs/dbraw/zinc/34/90/02/563349002.db2.gz BNUPVSHXMVYLGM-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000570056 563348929 /nfs/dbraw/zinc/34/89/29/563348929.db2.gz KVBHNVCKHSXXCR-UHFFFAOYSA-N 0 0 342.442 5.206 50 0 EKAARN Nc1ccc2oc(-c3cc(-c4ccccc4)nc4ccccc43)nc2c1 ZINC000000570087 564023717 /nfs/dbraw/zinc/02/37/17/564023717.db2.gz QXCAYKWVZZDMSQ-UHFFFAOYSA-N 0 0 337.382 5.292 50 0 EKAARN c1ccc2c(c1)sc1nnc(SCc3cccc4ccccc43)n21 ZINC000000570091 563348975 /nfs/dbraw/zinc/34/89/75/563348975.db2.gz WYWRZUZYEYHRGZ-UHFFFAOYSA-N 0 0 347.468 5.390 50 0 EKAARN Cc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1C ZINC000000570238 564023699 /nfs/dbraw/zinc/02/36/99/564023699.db2.gz AHHMHKWHEGMEHP-UHFFFAOYSA-N 0 0 348.427 5.425 50 0 EKAARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 ZINC000000570325 564023713 /nfs/dbraw/zinc/02/37/13/564023713.db2.gz HZHBKHNZRVNBFG-CQSZACIVSA-N 0 0 336.435 5.603 50 0 EKAARN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 ZINC000000570326 564023692 /nfs/dbraw/zinc/02/36/92/564023692.db2.gz HZHBKHNZRVNBFG-AWEZNQCLSA-N 0 0 336.435 5.603 50 0 EKAARN CCOC(=O)c1c(C)n(C(C)C)c2c1cc(OCC)c1ccccc21 ZINC000000571248 257928313 /nfs/dbraw/zinc/92/83/13/257928313.db2.gz NQMNJFAACGOEQO-UHFFFAOYSA-N 0 0 339.435 5.259 50 0 EKAARN Cc1ccc(SCc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000000571647 563350125 /nfs/dbraw/zinc/35/01/25/563350125.db2.gz KFKVMNXMOKOOKO-UHFFFAOYSA-N 0 0 339.504 5.350 50 0 EKAARN Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000000571801 564023790 /nfs/dbraw/zinc/02/37/90/564023790.db2.gz JFINLIJNLODBSV-UHFFFAOYSA-N 0 0 347.483 5.848 50 0 EKAARN Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000000571950 563350091 /nfs/dbraw/zinc/35/00/91/563350091.db2.gz HCNGRHIJXLQUFK-UHFFFAOYSA-N 0 0 347.483 5.217 50 0 EKAARN Cc1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000000571989 564065484 /nfs/dbraw/zinc/06/54/84/564065484.db2.gz YWLADLYAIILOQJ-JOCHJYFZSA-N 0 0 344.410 5.084 50 0 EKAARN Cc1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000000571990 564065472 /nfs/dbraw/zinc/06/54/72/564065472.db2.gz YWLADLYAIILOQJ-QFIPXVFZSA-N 0 0 344.410 5.084 50 0 EKAARN O=C(OCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000000572008 563350055 /nfs/dbraw/zinc/35/00/55/563350055.db2.gz XLIFGCYNKGAOCY-UHFFFAOYSA-N 0 0 336.818 5.215 50 0 EKAARN CC(C)Cn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000000572359 564023891 /nfs/dbraw/zinc/02/38/91/564023891.db2.gz QFHVJLLNNBIWSO-UHFFFAOYSA-N 0 0 330.431 5.425 50 0 EKAARN Clc1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000000572368 563350332 /nfs/dbraw/zinc/35/03/32/563350332.db2.gz PWVZMNQKHOKJHG-UHFFFAOYSA-N 0 0 338.794 5.029 50 0 EKAARN Cc1ccc(OCCn2c(Cc3ccccc3)nc3ccccc32)cc1 ZINC000000572440 564023889 /nfs/dbraw/zinc/02/38/89/564023889.db2.gz 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POQCORVZVQNZNG-QGZVFWFLSA-N 0 0 342.442 5.245 50 0 EKAARN Clc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000000572486 564023885 /nfs/dbraw/zinc/02/38/85/564023885.db2.gz LILCUZBETYNNHS-UHFFFAOYSA-N 0 0 348.833 5.317 50 0 EKAARN Clc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000000572564 564023905 /nfs/dbraw/zinc/02/39/05/564023905.db2.gz KROSMCNXJQXIAM-UHFFFAOYSA-N 0 0 348.833 5.436 50 0 EKAARN CC(C)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000000572622 564023922 /nfs/dbraw/zinc/02/39/22/564023922.db2.gz JBSZHKWHSPKZLP-UHFFFAOYSA-N 0 0 329.241 5.122 50 0 EKAARN O=c1oc(-c2ccccc2Cl)nc2sc(-c3ccccc3)cc21 ZINC000000572667 564023917 /nfs/dbraw/zinc/02/39/17/564023917.db2.gz HGPSDLNVBCIENO-UHFFFAOYSA-N 0 0 339.803 5.237 50 0 EKAARN Cc1ccccc1OCc1nc2ccccc2n1Cc1ccccc1F ZINC000000572711 563350310 /nfs/dbraw/zinc/35/03/10/563350310.db2.gz IAWNRNMQSFRBNF-UHFFFAOYSA-N 0 0 346.405 5.111 50 0 EKAARN Cc1sc2nc(C)nc(SCc3ccc(Cl)cc3)c2c1C ZINC000000572857 563350273 /nfs/dbraw/zinc/35/02/73/563350273.db2.gz LSSWHPFKPKCAJT-UHFFFAOYSA-N 0 0 334.897 5.562 50 0 EKAARN c1ccc(-c2oc3ncnc(N4CCCC4)c3c2-c2ccccc2)cc1 ZINC000000572944 209670600 /nfs/dbraw/zinc/67/06/00/209670600.db2.gz BTLMWSGBLYWBMQ-UHFFFAOYSA-N 0 0 341.414 5.157 50 0 EKAARN O=C(c1cccs1)c1cn(Cc2ccccc2F)c2ccccc12 ZINC000000573685 563350700 /nfs/dbraw/zinc/35/07/00/563350700.db2.gz FRZFVVGLEVDQQV-UHFFFAOYSA-N 0 0 335.403 5.121 50 0 EKAARN O=C(c1cccs1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000000573686 564023976 /nfs/dbraw/zinc/02/39/76/564023976.db2.gz JGQDWYKHBISYBI-UHFFFAOYSA-N 0 0 335.403 5.121 50 0 EKAARN O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000000573688 209669910 /nfs/dbraw/zinc/66/99/10/209669910.db2.gz ACHGKLWLZCRECH-UHFFFAOYSA-N 0 0 345.829 5.574 50 0 EKAARN O=C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000000573691 564024002 /nfs/dbraw/zinc/02/40/02/564024002.db2.gz VOKCHNUHYCXOEN-UHFFFAOYSA-N 0 0 345.829 5.574 50 0 EKAARN O=C(c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000000573692 564024005 /nfs/dbraw/zinc/02/40/05/564024005.db2.gz BHAQFIANQJHKGU-UHFFFAOYSA-N 0 0 329.374 5.060 50 0 EKAARN O=C(c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000000573693 563350776 /nfs/dbraw/zinc/35/07/76/563350776.db2.gz GVJFZYKSDCKHDR-UHFFFAOYSA-N 0 0 329.374 5.060 50 0 EKAARN O=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C1CC1 ZINC000000573741 564023988 /nfs/dbraw/zinc/02/39/88/564023988.db2.gz GQOUQSNDRGLKIJ-UHFFFAOYSA-N 0 0 344.241 5.589 50 0 EKAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(Cl)c1 ZINC000000574188 564023986 /nfs/dbraw/zinc/02/39/86/564023986.db2.gz XGZLHVMCQGQHMO-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000000577243 564024193 /nfs/dbraw/zinc/02/41/93/564024193.db2.gz FGPHYYJIYJLZHF-UHFFFAOYSA-N 0 0 335.834 5.495 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000000577963 564024211 /nfs/dbraw/zinc/02/42/11/564024211.db2.gz BRAVHIMHMZZEDV-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000000577981 564024233 /nfs/dbraw/zinc/02/42/33/564024233.db2.gz BDSYJHJLUHVAFH-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000000578790 209671151 /nfs/dbraw/zinc/67/11/51/209671151.db2.gz LJTNKXZKDHZWAB-UHFFFAOYSA-N 0 0 344.842 5.064 50 0 EKAARN O=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000000578851 209671501 /nfs/dbraw/zinc/67/15/01/209671501.db2.gz SKGBDADOXIMMTR-UHFFFAOYSA-N 0 0 347.439 5.013 50 0 EKAARN O=C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C1CC1 ZINC000000578858 563350996 /nfs/dbraw/zinc/35/09/96/563350996.db2.gz QQWALRRAXFZOGW-UHFFFAOYSA-N 0 0 344.241 5.589 50 0 EKAARN Cc1cc(C)c(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000000578903 209671138 /nfs/dbraw/zinc/67/11/38/209671138.db2.gz BHBTZEXRUJPNAC-UHFFFAOYSA-N 0 0 345.442 5.296 50 0 EKAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2ccccc2c1 ZINC000000578955 564024339 /nfs/dbraw/zinc/02/43/39/564024339.db2.gz YCXXXTQSYZEYQH-UHFFFAOYSA-N 0 0 346.213 5.164 50 0 EKAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1O ZINC000000578966 563351024 /nfs/dbraw/zinc/35/10/24/563351024.db2.gz CLCPBTPBCGNERE-UHFFFAOYSA-N 0 0 347.197 5.209 50 0 EKAARN CCCc1ccc(OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1 ZINC000000578976 563351014 /nfs/dbraw/zinc/35/10/14/563351014.db2.gz KXEVYGYZEUZWGA-UHFFFAOYSA-N 0 0 342.394 5.070 50 0 EKAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000000579378 563351000 /nfs/dbraw/zinc/35/10/00/563351000.db2.gz QTQPRQNWHCCTPR-VMPITWQZSA-N 0 0 326.610 5.299 50 0 EKAARN C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000000579637 209671429 /nfs/dbraw/zinc/67/14/29/209671429.db2.gz DTDKHJXRUOKPKY-JTQLQIEISA-N 0 0 335.190 5.183 50 0 EKAARN C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000000579638 564024296 /nfs/dbraw/zinc/02/42/96/564024296.db2.gz DTDKHJXRUOKPKY-SNVBAGLBSA-N 0 0 335.190 5.183 50 0 EKAARN O=C(c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000000579685 563350978 /nfs/dbraw/zinc/35/09/78/563350978.db2.gz QXHGPERUFNNGKH-UHFFFAOYSA-N 0 0 348.273 5.088 50 0 EKAARN CC(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 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/nfs/dbraw/zinc/37/42/47/563374247.db2.gz VGNGRYYHNUHGSB-QHCPKHFHSA-N 0 0 349.433 5.981 50 0 EKAARN CC(C)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000001085400 563374229 /nfs/dbraw/zinc/37/42/29/563374229.db2.gz AGCFJTYQYGSVRZ-UHFFFAOYSA-N 0 0 343.470 5.848 50 0 EKAARN CCc1ccccc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000001085401 209710131 /nfs/dbraw/zinc/71/01/31/209710131.db2.gz MGSWARIZBMIVNS-UHFFFAOYSA-N 0 0 329.443 5.287 50 0 EKAARN Cc1cc(C)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000001086314 209710352 /nfs/dbraw/zinc/71/03/52/209710352.db2.gz GHQVKMSXIBMRDB-GZTJUZNOSA-N 0 0 339.485 5.018 50 0 EKAARN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1[C@H]1CCC(C)=C[C@@H]1C ZINC000001088387 564054377 /nfs/dbraw/zinc/05/43/77/564054377.db2.gz QSUPTRRWODEWFH-NPPFBWRTSA-N 0 0 346.474 5.386 50 0 EKAARN c1ccc(-c2nc3ccccc3c(Oc3cccc4cccnc43)n2)cc1 ZINC000001094856 564054432 /nfs/dbraw/zinc/05/44/32/564054432.db2.gz LMEAEYCISDDSSA-UHFFFAOYSA-N 0 0 349.393 5.637 50 0 EKAARN Fc1ccc(-c2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000001094924 205574727 /nfs/dbraw/zinc/57/47/27/205574727.db2.gz UVOLEULJELKEPA-UHFFFAOYSA-N 0 0 329.378 5.048 50 0 EKAARN CCc1cccc(CC)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001095009 563374235 /nfs/dbraw/zinc/37/42/35/563374235.db2.gz HNYPFLCKWCZSKS-UHFFFAOYSA-N 0 0 336.357 5.474 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001096733 563374579 /nfs/dbraw/zinc/37/45/79/563374579.db2.gz QQYNCRSELBCMAW-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001096734 563374594 /nfs/dbraw/zinc/37/45/94/563374594.db2.gz AJQWEMMVILDOGC-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001096738 209709694 /nfs/dbraw/zinc/70/96/94/209709694.db2.gz XOKXRCFNRLAECU-UHFFFAOYSA-N 0 0 337.250 5.436 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl ZINC000001098872 563374519 /nfs/dbraw/zinc/37/45/19/563374519.db2.gz NKRUCXIRBNAURJ-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN O=C(Nc1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 ZINC000001099223 564054405 /nfs/dbraw/zinc/05/44/05/564054405.db2.gz PYTPLVTYBISOCU-UHFFFAOYSA-N 0 0 344.439 5.067 50 0 EKAARN FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccccc2)n1 ZINC000001099989 209709775 /nfs/dbraw/zinc/70/97/75/209709775.db2.gz UJXCQXFTTDNKTL-UHFFFAOYSA-N 0 0 346.377 5.455 50 0 EKAARN Cc1cc(C)c(C2(C)CC(C(=O)c3cc4ccccc4o3)C2)c(C)c1 ZINC000001104893 563374918 /nfs/dbraw/zinc/37/49/18/563374918.db2.gz LRKVETHWFYBIFR-UHFFFAOYSA-N 0 0 332.443 5.909 50 0 EKAARN CSc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000001105580 201499081 /nfs/dbraw/zinc/49/90/81/201499081.db2.gz VMWKRLQDEUWYKO-SAPNQHFASA-N 0 0 335.428 5.181 50 0 EKAARN Cc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C)c1 ZINC000001105720 209711255 /nfs/dbraw/zinc/71/12/55/209711255.db2.gz QNVVJNFUVSCRAX-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Cl)coc2c1C ZINC000001105730 564054475 /nfs/dbraw/zinc/05/44/75/564054475.db2.gz SDYZHMGRSNCZKB-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3Cl)c2c(C)c1 ZINC000001105731 564116853 /nfs/dbraw/zinc/11/68/53/564116853.db2.gz JCRDYBJCMAATPQ-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1ccc(C)c([C@H](NC(=O)c2ccccc2C)c2ccccc2)c1 ZINC000001109973 209711847 /nfs/dbraw/zinc/71/18/47/209711847.db2.gz SPGDKMPRAYYXQE-JOCHJYFZSA-N 0 0 329.443 5.131 50 0 EKAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2C)c2ccccc2)c1 ZINC000001109974 563375305 /nfs/dbraw/zinc/37/53/05/563375305.db2.gz SPGDKMPRAYYXQE-QFIPXVFZSA-N 0 0 329.443 5.131 50 0 EKAARN O=C(CSc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1 ZINC000001110077 206269901 /nfs/dbraw/zinc/26/99/01/206269901.db2.gz JMDXFDKAHBTZDB-UHFFFAOYSA-N 0 0 348.254 5.517 50 0 EKAARN O=C(CCC1CCCC1)NCCC(c1ccccc1)c1ccccc1 ZINC000001112113 563375275 /nfs/dbraw/zinc/37/52/75/563375275.db2.gz JLTPRRYTYLAJPT-UHFFFAOYSA-N 0 0 335.491 5.295 50 0 EKAARN COc1cccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000001119780 563375118 /nfs/dbraw/zinc/37/51/18/563375118.db2.gz ZIVRRGRWYHAILT-UHFFFAOYSA-N 0 0 334.375 5.132 50 0 EKAARN CC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccc3C)n2)cc1 ZINC000001122580 563375602 /nfs/dbraw/zinc/37/56/02/563375602.db2.gz HTAXEGHBKQLFHN-UHFFFAOYSA-N 0 0 337.448 5.129 50 0 EKAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000001123947 209711457 /nfs/dbraw/zinc/71/14/57/209711457.db2.gz PGDICNBXDPTANQ-MRXNPFEDSA-N 0 0 339.479 5.514 50 0 EKAARN CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000001123949 563375616 /nfs/dbraw/zinc/37/56/16/563375616.db2.gz PGDICNBXDPTANQ-INIZCTEOSA-N 0 0 339.479 5.514 50 0 EKAARN CCSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001124862 209711024 /nfs/dbraw/zinc/71/10/24/209711024.db2.gz CPTAKKKIMDWLEE-UHFFFAOYSA-N 0 0 326.248 5.358 50 0 EKAARN Cc1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)cc1 ZINC000001125788 209712164 /nfs/dbraw/zinc/71/21/64/209712164.db2.gz BESSBEGHPMPQBY-UHFFFAOYSA-N 0 0 327.478 5.191 50 0 EKAARN O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1c1ccccc1Cl ZINC000001128222 563376045 /nfs/dbraw/zinc/37/60/45/563376045.db2.gz PWXSKLKHQWNKKG-FLIHGVEMSA-N 0 0 341.819 5.137 50 0 EKAARN O=C(Nc1cccc2c1CCCC2)c1ccccc1-c1ccccc1 ZINC000001129912 563375864 /nfs/dbraw/zinc/37/58/64/563375864.db2.gz FSFSKGFUDYKCNX-UHFFFAOYSA-N 0 0 327.427 5.485 50 0 EKAARN COc1ccc(/C=C(/C(=O)Nc2cccc(F)c2)c2ccccc2)cc1 ZINC000001137803 201498685 /nfs/dbraw/zinc/49/86/85/201498685.db2.gz MJXZTIBTUYGNAV-KGENOOAVSA-N 0 0 347.389 5.014 50 0 EKAARN C[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001140038 563375955 /nfs/dbraw/zinc/37/59/55/563375955.db2.gz JCBSGQBZPHRCNT-SFHVURJKSA-N 0 0 329.443 5.086 50 0 EKAARN C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001140040 209713489 /nfs/dbraw/zinc/71/34/89/209713489.db2.gz JCBSGQBZPHRCNT-GOSISDBHSA-N 0 0 329.443 5.086 50 0 EKAARN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001147073 563376331 /nfs/dbraw/zinc/37/63/31/563376331.db2.gz BTWVGSPXXGOSQV-QHCPKHFHSA-N 0 0 343.470 5.332 50 0 EKAARN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001147074 563376319 /nfs/dbraw/zinc/37/63/19/563376319.db2.gz BTWVGSPXXGOSQV-HSZRJFAPSA-N 0 0 343.470 5.332 50 0 EKAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001148320 563376348 /nfs/dbraw/zinc/37/63/48/563376348.db2.gz SMGWGKJLYWDPDX-SFHVURJKSA-N 0 0 329.443 5.105 50 0 EKAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001148322 563376339 /nfs/dbraw/zinc/37/63/39/563376339.db2.gz SMGWGKJLYWDPDX-GOSISDBHSA-N 0 0 329.443 5.105 50 0 EKAARN CCc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000001152763 209712777 /nfs/dbraw/zinc/71/27/77/209712777.db2.gz PMCRSVSGOPWFQO-UHFFFAOYSA-N 0 0 347.483 5.794 50 0 EKAARN C[C@H]1CC2(CCCCC2)N(C(=O)c2ccccc2)Cc2ccccc21 ZINC000001157435 209712550 /nfs/dbraw/zinc/71/25/50/209712550.db2.gz HWGTZXHFUYPLAW-SFHVURJKSA-N 0 0 333.475 5.539 50 0 EKAARN C[C@@H]1CC2(CCCCC2)N(C(=O)c2ccccc2)Cc2ccccc21 ZINC000001157436 201359508 /nfs/dbraw/zinc/35/95/08/201359508.db2.gz HWGTZXHFUYPLAW-GOSISDBHSA-N 0 0 333.475 5.539 50 0 EKAARN Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000001164122 564012985 /nfs/dbraw/zinc/01/29/85/564012985.db2.gz WNNVVNYWVXODOW-UHFFFAOYSA-N 0 0 341.288 5.478 50 0 EKAARN CCc1cc(=O)oc2cc(C)cc(OCc3c(F)cccc3Cl)c12 ZINC000001164197 563376678 /nfs/dbraw/zinc/37/66/78/563376678.db2.gz FBTXPNRRCMRIKZ-UHFFFAOYSA-N 0 0 346.785 5.035 50 0 EKAARN Cc1ccc(COc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1 ZINC000001164399 563376637 /nfs/dbraw/zinc/37/66/37/563376637.db2.gz FUNSUDKNBKSITL-UHFFFAOYSA-N 0 0 348.320 5.008 50 0 EKAARN Cc1ccc(-c2cn3cc(Cc4cccc(Cl)c4)sc3n2)cc1 ZINC000001165032 563376998 /nfs/dbraw/zinc/37/69/98/563376998.db2.gz AVBAEJFRCZUPQH-UHFFFAOYSA-N 0 0 338.863 5.615 50 0 EKAARN C=Cc1ccc(COc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000001165104 563376968 /nfs/dbraw/zinc/37/69/68/563376968.db2.gz HBUUGWMCVYPNCX-UHFFFAOYSA-N 0 0 346.304 5.034 50 0 EKAARN CCc1ccccc1NC(=O)C1C(c2ccccc2)=C1c1ccccc1 ZINC000001168535 563377452 /nfs/dbraw/zinc/37/74/52/563377452.db2.gz QDXNUHNYHWHWCB-UHFFFAOYSA-N 0 0 339.438 5.428 50 0 EKAARN Cc1nn2c(nc(C(C)(C)C)cc2C(F)(F)F)c1-c1ccccc1 ZINC000001178842 563377656 /nfs/dbraw/zinc/37/76/56/563377656.db2.gz YKHCUZLZCZRNNT-UHFFFAOYSA-N 0 0 333.357 5.021 50 0 EKAARN O=C(COc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 ZINC000001179310 563377663 /nfs/dbraw/zinc/37/76/63/563377663.db2.gz OMYFOFJMGHHMIZ-UHFFFAOYSA-N 0 0 349.902 5.213 50 0 EKAARN CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001181271 563377659 /nfs/dbraw/zinc/37/76/59/563377659.db2.gz UJASXROILHCOOQ-PDGQHHTCSA-N 0 0 337.444 5.047 50 0 EKAARN CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000001181424 563377686 /nfs/dbraw/zinc/37/76/86/563377686.db2.gz CSMXYAUWKHEUCA-GDNBJRDFSA-N 0 0 347.823 5.046 50 0 EKAARN Cc1cc(C)cc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000001191537 563378412 /nfs/dbraw/zinc/37/84/12/563378412.db2.gz BYLGKGGRHPTGFL-UHFFFAOYSA-N 0 0 329.443 5.341 50 0 EKAARN Cc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(C)c1 ZINC000001191596 563378351 /nfs/dbraw/zinc/37/83/51/563378351.db2.gz BDSJYBHVZFNNPF-UHFFFAOYSA-N 0 0 329.443 5.341 50 0 EKAARN O=C(c1ccccc1CCc1ccccc1)N1CCCc2ccccc21 ZINC000001192417 563378375 /nfs/dbraw/zinc/37/83/75/563378375.db2.gz TYFCVXAFHOBTBY-UHFFFAOYSA-N 0 0 341.454 5.065 50 0 EKAARN CCc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000001194987 563378872 /nfs/dbraw/zinc/37/88/72/563378872.db2.gz QYTXXFYVYBVPCX-RTWAWAEBSA-N 0 0 334.459 5.365 50 0 EKAARN CCc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCC2=O)cc1 ZINC000001194989 563378736 /nfs/dbraw/zinc/37/87/36/563378736.db2.gz QYTXXFYVYBVPCX-NHCUHLMSSA-N 0 0 334.459 5.365 50 0 EKAARN CCc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000001194991 563378925 /nfs/dbraw/zinc/37/89/25/563378925.db2.gz QYTXXFYVYBVPCX-SFTDATJTSA-N 0 0 334.459 5.365 50 0 EKAARN CCc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCC2=O)cc1 ZINC000001194992 563378830 /nfs/dbraw/zinc/37/88/30/563378830.db2.gz QYTXXFYVYBVPCX-LEWJYISDSA-N 0 0 334.459 5.365 50 0 EKAARN CC[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000001201012 564056425 /nfs/dbraw/zinc/05/64/25/564056425.db2.gz MPHNSHSPOFYLON-INIZCTEOSA-N 0 0 340.423 5.082 50 0 EKAARN CC[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000001201014 564056417 /nfs/dbraw/zinc/05/64/17/564056417.db2.gz MPHNSHSPOFYLON-MRXNPFEDSA-N 0 0 340.423 5.082 50 0 EKAARN COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000001201996 564065575 /nfs/dbraw/zinc/06/55/75/564065575.db2.gz DMGVRXGFVGFXGC-UHFFFAOYSA-N 0 0 346.426 5.301 50 0 EKAARN CCCC(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 ZINC000001204184 563917806 /nfs/dbraw/zinc/91/78/06/563917806.db2.gz XGCAKIBCAUOWMD-UHFFFAOYSA-N 0 0 328.799 5.195 50 0 EKAARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccco1 ZINC000001212069 257869222 /nfs/dbraw/zinc/86/92/22/257869222.db2.gz IGLQRDJPTYOZNC-UHFFFAOYSA-N 0 0 346.386 5.265 50 0 EKAARN Fc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000001213644 563379656 /nfs/dbraw/zinc/37/96/56/563379656.db2.gz WDBANKNHHYSDKZ-UHFFFAOYSA-N 0 0 339.222 6.000 50 0 EKAARN Cc1cccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)c1C ZINC000001214169 563379551 /nfs/dbraw/zinc/37/95/51/563379551.db2.gz POHMNWGGJBJFSF-UHFFFAOYSA-N 0 0 339.438 5.483 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000001214790 563379613 /nfs/dbraw/zinc/37/96/13/563379613.db2.gz DWGGTKNHBCGNDN-KOENEWCDSA-N 0 0 339.438 5.231 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000001214792 563379648 /nfs/dbraw/zinc/37/96/48/563379648.db2.gz DWGGTKNHBCGNDN-OOMBGRCJSA-N 0 0 339.438 5.231 50 0 EKAARN CCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000001216397 563379845 /nfs/dbraw/zinc/37/98/45/563379845.db2.gz AWTIOGPIZFXRJE-UHFFFAOYSA-N 0 0 332.762 5.026 50 0 EKAARN O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001216638 563917922 /nfs/dbraw/zinc/91/79/22/563917922.db2.gz NLTSTDRDPDPXOZ-UHFFFAOYSA-N 0 0 344.439 5.145 50 0 EKAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000001216844 563917946 /nfs/dbraw/zinc/91/79/46/563917946.db2.gz APOATAUYRNFYOD-UHFFFAOYSA-N 0 0 334.202 5.609 50 0 EKAARN Cc1cc2ncn(C(=O)c3ccc(-c4ccccc4)cc3)c2cc1C ZINC000001217879 563379838 /nfs/dbraw/zinc/37/98/38/563379838.db2.gz VPGJQNGILOWGAU-UHFFFAOYSA-N 0 0 326.399 5.009 50 0 EKAARN CCc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000001218378 563379776 /nfs/dbraw/zinc/37/97/76/563379776.db2.gz UPKZSDSGPZSIGK-UHFFFAOYSA-N 0 0 329.443 5.410 50 0 EKAARN CC(C)C(=O)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000001218433 563379804 /nfs/dbraw/zinc/37/98/04/563379804.db2.gz XOXYYRDOXAGLTB-UHFFFAOYSA-N 0 0 330.387 5.243 50 0 EKAARN CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001219072 563917936 /nfs/dbraw/zinc/91/79/36/563917936.db2.gz PXCKTBYWKXMYKG-UHFFFAOYSA-N 0 0 335.190 5.150 50 0 EKAARN O=C(Cc1cccc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000001226856 563380289 /nfs/dbraw/zinc/38/02/89/563380289.db2.gz YDVSCVNVXBOOMP-UHFFFAOYSA-N 0 0 337.422 5.747 50 0 EKAARN CN(Cc1ccccc1)C(=O)N1c2ccccc2CCc2ccccc21 ZINC000001226929 563380379 /nfs/dbraw/zinc/38/03/79/563380379.db2.gz NFNOHWUOFLRCSP-UHFFFAOYSA-N 0 0 342.442 5.175 50 0 EKAARN CC(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001227752 563380351 /nfs/dbraw/zinc/38/03/51/563380351.db2.gz QIVBGODVCXMBNC-UHFFFAOYSA-N 0 0 329.443 5.581 50 0 EKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2ccccc2c1 ZINC000001230057 563380558 /nfs/dbraw/zinc/38/05/58/563380558.db2.gz OHZCWTCOLCTDHE-UHFFFAOYSA-N 0 0 337.422 5.688 50 0 EKAARN CC(C)Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000001230667 563380493 /nfs/dbraw/zinc/38/04/93/563380493.db2.gz DAJFKQLPJSQVDU-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 ZINC000001231125 563380636 /nfs/dbraw/zinc/38/06/36/563380636.db2.gz BTXCKOBJSIDBNO-OAQYLSRUSA-N 0 0 341.454 5.248 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 ZINC000001231126 563380641 /nfs/dbraw/zinc/38/06/41/563380641.db2.gz BTXCKOBJSIDBNO-NRFANRHFSA-N 0 0 341.454 5.248 50 0 EKAARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000001233531 563380521 /nfs/dbraw/zinc/38/05/21/563380521.db2.gz IOVFDNQJFQYTGF-QFIPXVFZSA-N 0 0 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Cc1ccc(-c2cn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000001302337 564063086 /nfs/dbraw/zinc/06/30/86/564063086.db2.gz RJFCQBPVAAJKTD-UHFFFAOYSA-N 0 0 326.443 5.720 50 0 EKAARN Cc1cccc(C2=Nc3ccccc3N=C(c3cc(C)ccc3O)C2)c1 ZINC000001305386 564063130 /nfs/dbraw/zinc/06/31/30/564063130.db2.gz CKAHZIXCMOPTDP-UHFFFAOYSA-N 0 0 340.426 5.654 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)o1 ZINC000001306371 564063127 /nfs/dbraw/zinc/06/31/27/564063127.db2.gz NUZCYXGMCPEHFY-KNQAVFIVSA-N 0 0 344.414 5.139 50 0 EKAARN Cc1cccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc32)c1 ZINC000001306817 564063095 /nfs/dbraw/zinc/06/30/95/564063095.db2.gz OHRCUKUILCNSJE-UHFFFAOYSA-N 0 0 327.387 5.054 50 0 EKAARN Cc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1 ZINC000001308048 563383147 /nfs/dbraw/zinc/38/31/47/563383147.db2.gz VEINLXLFXYNZOF-UHFFFAOYSA-N 0 0 326.443 5.720 50 0 EKAARN Cc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001319342 209725653 /nfs/dbraw/zinc/72/56/53/209725653.db2.gz AGROKRUZEPCBGO-UHFFFAOYSA-N 0 0 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OC(CSc1cccc(Cl)c1)CSc1cccc(Cl)c1 ZINC000001385789 564064220 /nfs/dbraw/zinc/06/42/20/564064220.db2.gz SVOZHESVHJNDJJ-UHFFFAOYSA-N 0 0 345.316 5.239 50 0 EKAARN OC(CSc1ccccc1Cl)CSc1ccccc1Cl ZINC000001385790 564064197 /nfs/dbraw/zinc/06/41/97/564064197.db2.gz ULVCPSUQRCGAIO-UHFFFAOYSA-N 0 0 345.316 5.239 50 0 EKAARN Clc1ccc(-c2nnsc2Sc2ccccn2)c(Cl)c1 ZINC000001385795 258049129 /nfs/dbraw/zinc/04/91/29/258049129.db2.gz UZOTWZNSAXLBNG-UHFFFAOYSA-N 0 0 340.260 5.058 50 0 EKAARN Cc1cccc(Cn2c3ccccc3nc2-c2cccnc2Cl)c1 ZINC000001386023 258049126 /nfs/dbraw/zinc/04/91/26/258049126.db2.gz GSCNHCHGCULTPV-UHFFFAOYSA-N 0 0 333.822 5.108 50 0 EKAARN Cc1ccc(Cn2c3ccccc3nc2-c2cccnc2Cl)cc1 ZINC000001386024 258049075 /nfs/dbraw/zinc/04/90/75/258049075.db2.gz YWYUJNGULGGVEH-UHFFFAOYSA-N 0 0 333.822 5.108 50 0 EKAARN Cc1ccccc1Cn1c2ccccc2nc1-c1cccnc1Cl ZINC000001386029 258049130 /nfs/dbraw/zinc/04/91/30/258049130.db2.gz LAKWOSQVKMUBSQ-UHFFFAOYSA-N 0 0 333.822 5.108 50 0 EKAARN 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CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(C)cc1 ZINC000001392828 563386050 /nfs/dbraw/zinc/38/60/50/563386050.db2.gz ZQXNLANYFQGKBU-UHFFFAOYSA-N 0 0 337.444 5.180 50 0 EKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000001393179 135654937 /nfs/dbraw/zinc/65/49/37/135654937.db2.gz GBWBOCHJZMCITO-UHFFFAOYSA-N 0 0 349.261 5.236 50 0 EKAARN OC(CSc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 ZINC000001393336 563386051 /nfs/dbraw/zinc/38/60/51/563386051.db2.gz FZLZCTNLUAZNFA-UHFFFAOYSA-N 0 0 340.875 5.368 50 0 EKAARN c1ccc(Cc2nnc(Sc3ccccc3)c3ccccc23)cc1 ZINC000001393460 564064619 /nfs/dbraw/zinc/06/46/19/564064619.db2.gz PFCZWSUYQWSCDQ-UHFFFAOYSA-N 0 0 328.440 5.372 50 0 EKAARN Clc1ccc(Oc2nnc(Cc3ccccc3)c3ccccc32)cc1 ZINC000001393463 564064624 /nfs/dbraw/zinc/06/46/24/564064624.db2.gz QJNKZDOVNGVPOU-UHFFFAOYSA-N 0 0 346.817 5.666 50 0 EKAARN COc1ccc(-c2nc(N)sc2Sc2ccc(Cl)cc2)cc1 ZINC000001393589 563386023 /nfs/dbraw/zinc/38/60/23/563386023.db2.gz UVCUBQUPKRTNTD-UHFFFAOYSA-N 0 0 348.880 5.206 50 0 EKAARN 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CSc1ccccc1-c1nnc(SCc2ccc(C)cc2)o1 ZINC000001397954 564064768 /nfs/dbraw/zinc/06/47/68/564064768.db2.gz SYKIQKGLVIMFRQ-UHFFFAOYSA-N 0 0 328.462 5.059 50 0 EKAARN CSc1ccccc1-c1nnc(SCc2cccc(Cl)c2)o1 ZINC000001397960 564064784 /nfs/dbraw/zinc/06/47/84/564064784.db2.gz BDPFXUPLTUUZGD-UHFFFAOYSA-N 0 0 348.880 5.404 50 0 EKAARN CSc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000001397972 564064770 /nfs/dbraw/zinc/06/47/70/564064770.db2.gz YOLRRQKTSWRKCB-UHFFFAOYSA-N 0 0 336.338 5.144 50 0 EKAARN Clc1ccc(-c2cc(CSc3ccccc3)no2)cc1Cl ZINC000001398570 564064798 /nfs/dbraw/zinc/06/47/98/564064798.db2.gz OFQGKZIKVJAFOB-UHFFFAOYSA-N 0 0 336.243 5.941 50 0 EKAARN Clc1ccc(SCc2cc(-c3ccccc3Cl)on2)cc1 ZINC000001398572 564064795 /nfs/dbraw/zinc/06/47/95/564064795.db2.gz GMJHBPQCKRSQDE-UHFFFAOYSA-N 0 0 336.243 5.941 50 0 EKAARN Clc1ccc(-c2cc(COc3ccc4ccccc4c3)no2)cc1 ZINC000001398574 564064836 /nfs/dbraw/zinc/06/48/36/564064836.db2.gz UVOWRRDMLKVBHM-UHFFFAOYSA-N 0 0 335.790 5.727 50 0 aggregator EKAARN Brc1ccc(SCc2cc(-c3ccccc3)on2)cc1 ZINC000001398577 564064828 /nfs/dbraw/zinc/06/48/28/564064828.db2.gz VSIJMNLJDVYARA-UHFFFAOYSA-N 0 0 346.249 5.396 50 0 EKAARN Clc1ccccc1-c1cc(COc2ccc3ccccc3c2)no1 ZINC000001398579 564064829 /nfs/dbraw/zinc/06/48/29/564064829.db2.gz PDQCEMINRCCFJN-UHFFFAOYSA-N 0 0 335.790 5.727 50 0 aggregator EKAARN CC(C)c1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 ZINC000001399190 209740344 /nfs/dbraw/zinc/74/03/44/209740344.db2.gz PEBFVERUQGAJIF-UHFFFAOYSA-N 0 0 346.455 5.825 50 0 EKAARN Cc1ccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1 ZINC000001399205 564064830 /nfs/dbraw/zinc/06/48/30/564064830.db2.gz SPAPLTWUVMVRBR-UHFFFAOYSA-N 0 0 343.411 5.475 50 0 EKAARN Cc1cccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)c1 ZINC000001399210 564064847 /nfs/dbraw/zinc/06/48/47/564064847.db2.gz FXIBJJMCUBNKAI-UHFFFAOYSA-N 0 0 343.411 5.475 50 0 EKAARN O=Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc21 ZINC000001399575 209740119 /nfs/dbraw/zinc/74/01/19/209740119.db2.gz QVYBAIFKYHLJAB-UHFFFAOYSA-N 0 0 330.305 5.250 50 0 EKAARN O=C(c1cnc(Nc2ccccc2Cl)s1)c1ccc(Cl)cc1 ZINC000001399950 209740019 /nfs/dbraw/zinc/74/00/19/209740019.db2.gz IRQOIZZTORKYAG-UHFFFAOYSA-N 0 0 349.242 5.425 50 0 EKAARN O=C(c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 ZINC000001399990 563387383 /nfs/dbraw/zinc/38/73/83/563387383.db2.gz NJFOBLXUYRGYLS-UHFFFAOYSA-N 0 0 349.242 5.425 50 0 aggregator EKAARN Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000001400385 209740148 /nfs/dbraw/zinc/74/01/48/209740148.db2.gz JEAYENXPINXUGH-UHFFFAOYSA-N 0 0 337.419 5.538 50 0 EKAARN COc1cccc(C(=O)Nc2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000001400388 564064984 /nfs/dbraw/zinc/06/49/84/564064984.db2.gz BOTSUSFSHPGROW-UHFFFAOYSA-N 0 0 349.455 5.407 50 0 EKAARN O=C(Nc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000001400394 564064965 /nfs/dbraw/zinc/06/49/65/564064965.db2.gz TUCLJLLKQCSXBM-UHFFFAOYSA-N 0 0 341.382 5.368 50 0 EKAARN O=C(CSc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001400542 564064954 /nfs/dbraw/zinc/06/49/54/564064954.db2.gz OBQFUBYEUCQHIH-UHFFFAOYSA-N 0 0 345.773 5.090 50 0 EKAARN O=C(CSc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl ZINC000001400556 564064959 /nfs/dbraw/zinc/06/49/59/564064959.db2.gz SMBLUMYNIRAHRH-UHFFFAOYSA-N 0 0 346.666 5.378 50 0 EKAARN O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl ZINC000001400557 564064978 /nfs/dbraw/zinc/06/49/78/564064978.db2.gz HZINYGQTVIBMKB-UHFFFAOYSA-N 0 0 345.773 5.090 50 0 EKAARN FC(F)(F)c1cccc(-c2cnc(SCc3ccccc3)nc2)c1 ZINC000001400825 564064990 /nfs/dbraw/zinc/06/49/90/564064990.db2.gz NQJUQLQMMRZJNS-UHFFFAOYSA-N 0 0 346.377 5.455 50 0 EKAARN Cc1nc(-c2ccc(Cl)cc2)oc1C(=O)Nc1ccc(Cl)cc1 ZINC000001400985 564065005 /nfs/dbraw/zinc/06/50/05/564065005.db2.gz NPEAGUNPNLXKSN-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN CSc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000001400995 564064999 /nfs/dbraw/zinc/06/49/99/564064999.db2.gz OAZIXUGWESAAGO-UHFFFAOYSA-N 0 0 336.338 5.144 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2ccccc2)n1 ZINC000001401168 209740165 /nfs/dbraw/zinc/74/01/65/209740165.db2.gz BWCNNZOWZLYXLE-UHFFFAOYSA-N 0 0 348.349 5.081 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccccc2)n1 ZINC000001401173 564065009 /nfs/dbraw/zinc/06/50/09/564065009.db2.gz UWKQXUMWIHAVOQ-UHFFFAOYSA-N 0 0 348.349 5.081 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1 ZINC000001401179 564065021 /nfs/dbraw/zinc/06/50/21/564065021.db2.gz ZHCOTMNYGOBBPG-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 aggregator EKAARN FC(F)(F)c1nc2ccccc2nc1Sc1ccc(Cl)cc1 ZINC000001401715 209740337 /nfs/dbraw/zinc/74/03/37/209740337.db2.gz JHOSKZJPNKQTFT-UHFFFAOYSA-N 0 0 340.757 5.453 50 0 EKAARN Clc1ccc(Sc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000001402083 209740096 /nfs/dbraw/zinc/74/00/96/209740096.db2.gz QNLFYHKGSRZASO-UHFFFAOYSA-N 0 0 333.243 5.602 50 0 EKAARN Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1 ZINC000001402090 564065046 /nfs/dbraw/zinc/06/50/46/564065046.db2.gz SHPQOBMEMXWENS-UHFFFAOYSA-N 0 0 332.790 5.743 50 0 aggregator EKAARN Cn1c2ccccc2c2cc(C(=O)Nc3cccc(Cl)c3)sc21 ZINC000001402104 564065040 /nfs/dbraw/zinc/06/50/40/564065040.db2.gz CQPGPQGNHNJBNC-UHFFFAOYSA-N 0 0 340.835 5.299 50 0 EKAARN CC(C)c1ccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 ZINC000001402106 209740258 /nfs/dbraw/zinc/74/02/58/209740258.db2.gz FMECEIZBEZIWSV-UHFFFAOYSA-N 0 0 348.471 5.769 50 0 EKAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Cl)c1 ZINC000001402597 564065115 /nfs/dbraw/zinc/06/51/15/564065115.db2.gz ZTMZLTUZULSNNZ-UHFFFAOYSA-N 0 0 348.789 5.401 50 0 EKAARN CC(C)(C)c1cc2cccnc2n1Cc1ccc(Cl)cc1Cl ZINC000001402662 564065103 /nfs/dbraw/zinc/06/51/03/564065103.db2.gz OEZFNQVYXBKFIM-UHFFFAOYSA-N 0 0 333.262 5.689 50 0 EKAARN CC(C)(C)c1cc2cccnc2n1Cc1cccc(C(F)(F)F)c1 ZINC000001402664 564065123 /nfs/dbraw/zinc/06/51/23/564065123.db2.gz JLENRBWAPKLXFX-UHFFFAOYSA-N 0 0 332.369 5.401 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000001402772 563387431 /nfs/dbraw/zinc/38/74/31/563387431.db2.gz VPUSXTVSZMCUIX-UHFFFAOYSA-N 0 0 343.839 5.416 50 0 EKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)Nc1ccccc1 ZINC000001402784 563387465 /nfs/dbraw/zinc/38/74/65/563387465.db2.gz CBWOJJPAZIPZFW-UHFFFAOYSA-N 0 0 345.427 5.607 50 0 EKAARN CSc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1 ZINC000001402786 564065124 /nfs/dbraw/zinc/06/51/24/564065124.db2.gz BSXDEYJORINLND-UHFFFAOYSA-N 0 0 342.514 5.501 50 0 EKAARN O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000001402828 564065102 /nfs/dbraw/zinc/06/51/02/564065102.db2.gz OMHXOEQGSODYII-UHFFFAOYSA-N 0 0 346.666 5.378 50 0 EKAARN O=C(CSc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000001402829 564065100 /nfs/dbraw/zinc/06/51/00/564065100.db2.gz LMFDWQUJHPCPRZ-UHFFFAOYSA-N 0 0 346.666 5.378 50 0 EKAARN O=C(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001402865 209741352 /nfs/dbraw/zinc/74/13/52/209741352.db2.gz QAHGUGWQLNTCRH-UHFFFAOYSA-N 0 0 331.651 5.622 50 0 EKAARN Cc1ccccc1Cn1c2ccccc2nc1-c1ccc(Cl)nc1 ZINC000001403043 564065117 /nfs/dbraw/zinc/06/51/17/564065117.db2.gz BACDHHHWKVKSDO-UHFFFAOYSA-N 0 0 333.822 5.108 50 0 EKAARN Cc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)nc2)cc1 ZINC000001403045 564065104 /nfs/dbraw/zinc/06/51/04/564065104.db2.gz BLGYAYRHUBFXFJ-UHFFFAOYSA-N 0 0 333.822 5.108 50 0 EKAARN CC(C)n1c2ccc(C(F)(F)F)cc2nc1-c1cccnc1Cl ZINC000001403047 564065114 /nfs/dbraw/zinc/06/51/14/564065114.db2.gz UYQHAOKJCOJPLG-UHFFFAOYSA-N 0 0 339.748 5.351 50 0 EKAARN COc1ccc(Oc2cccc3c2C(=O)C[C@H]3c2ccccc2)cc1 ZINC000001403136 209740876 /nfs/dbraw/zinc/74/08/76/209740876.db2.gz BZSASGNINFYCBN-IBGZPJMESA-N 0 0 330.383 5.206 50 0 EKAARN COc1ccc(Oc2cccc3c2C(=O)C[C@@H]3c2ccccc2)cc1 ZINC000001403137 564065098 /nfs/dbraw/zinc/06/50/98/564065098.db2.gz BZSASGNINFYCBN-LJQANCHMSA-N 0 0 330.383 5.206 50 0 EKAARN O=C1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 ZINC000001403138 563387718 /nfs/dbraw/zinc/38/77/18/563387718.db2.gz WUFBSXLAIXSHEX-GOSISDBHSA-N 0 0 334.802 5.851 50 0 EKAARN O=C1C[C@@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21 ZINC000001403139 563387629 /nfs/dbraw/zinc/38/76/29/563387629.db2.gz WUFBSXLAIXSHEX-SFHVURJKSA-N 0 0 334.802 5.851 50 0 EKAARN Cc1ccc(-c2nnc(C)c(Oc3ccc(Cl)cc3Cl)n2)cc1 ZINC000001403174 564065113 /nfs/dbraw/zinc/06/51/13/564065113.db2.gz CQHDBFPFMBRJQK-UHFFFAOYSA-N 0 0 346.217 5.255 50 0 EKAARN Cc1ccc2c(c1)-c1nc(SCc3ccccc3)ncc1CS2 ZINC000001403602 564065059 /nfs/dbraw/zinc/06/50/59/564065059.db2.gz FXYFDPWIYYKJDQ-UHFFFAOYSA-N 0 0 336.485 5.350 50 0 EKAARN O=C(NCc1ccccc1Cl)c1cc2c(ccc3ccccc23)o1 ZINC000001404033 564065193 /nfs/dbraw/zinc/06/51/93/564065193.db2.gz UCKZJJSDXVGQQQ-UHFFFAOYSA-N 0 0 335.790 5.169 50 0 EKAARN CNc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000001404385 564065146 /nfs/dbraw/zinc/06/51/46/564065146.db2.gz INLXGXCGPFGHHE-UHFFFAOYSA-N 0 0 341.867 5.131 50 0 EKAARN CCOc1cnc(-c2c(C)onc2-c2c(Cl)cccc2Cl)o1 ZINC000001404521 201507143 /nfs/dbraw/zinc/50/71/43/201507143.db2.gz CZBJFGOAKQCYCO-UHFFFAOYSA-N 0 0 339.178 5.011 50 0 EKAARN O=Cc1sc2ccccc2c1Sc1ccc(Br)cc1 ZINC000001404622 209740816 /nfs/dbraw/zinc/74/08/16/209740816.db2.gz MZSPZUMXNTWQPC-UHFFFAOYSA-N 0 0 349.274 5.628 50 0 EKAARN CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000001405390 201506431 /nfs/dbraw/zinc/50/64/31/201506431.db2.gz BEZNQSMOMZNFPE-UHFFFAOYSA-N 0 0 341.794 5.251 50 0 EKAARN Fc1cccc(CSC2=Nc3cc(Cl)ccc3SCC2)c1 ZINC000001405532 564065172 /nfs/dbraw/zinc/06/51/72/564065172.db2.gz OMIIAZAZSRMUNT-UHFFFAOYSA-N 0 0 337.872 5.938 50 0 EKAARN COc1ccc(CSC2=Nc3cc(Cl)ccc3SCC2)cc1 ZINC000001405534 564065185 /nfs/dbraw/zinc/06/51/85/564065185.db2.gz YKDYDFPXIWEWGQ-UHFFFAOYSA-N 0 0 349.908 5.808 50 0 EKAARN Cc1ccccc1CSC1=Nc2cc(Cl)ccc2SCC1 ZINC000001405548 209740887 /nfs/dbraw/zinc/74/08/87/209740887.db2.gz YTTJFIJBWLFDIN-UHFFFAOYSA-N 0 0 333.909 6.108 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000001405583 209741615 /nfs/dbraw/zinc/74/16/15/209741615.db2.gz QTVCYBQCSZNORM-UHFFFAOYSA-N 0 0 339.847 5.419 50 0 EKAARN Clc1ccc2c(c1)ncnc2NCc1ccc(Cl)c(Cl)c1 ZINC000001405666 209741423 /nfs/dbraw/zinc/74/14/23/209741423.db2.gz CRZSWRVOVGHGKV-UHFFFAOYSA-N 0 0 338.625 5.202 50 0 EKAARN Clc1ccc(CNc2ncnc3cc(Cl)ccc32)c(Cl)c1 ZINC000001405673 564065189 /nfs/dbraw/zinc/06/51/89/564065189.db2.gz PTYBZGPHCHJODA-UHFFFAOYSA-N 0 0 338.625 5.202 50 0 EKAARN CCOC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001405883 564065171 /nfs/dbraw/zinc/06/51/71/564065171.db2.gz QQUTUJBSXVVETH-UHFFFAOYSA-N 0 0 326.783 5.124 50 0 EKAARN CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)cn2ccccc12 ZINC000001406337 563387633 /nfs/dbraw/zinc/38/76/33/563387633.db2.gz PPJJVKZQFQBQMC-UHFFFAOYSA-N 0 0 341.410 5.450 50 0 EKAARN COc1cccc2cc([C@H](C)OC(=O)Nc3ccc(C)cc3)oc21 ZINC000001406484 209743033 /nfs/dbraw/zinc/74/30/33/209743033.db2.gz UDJCRPOVWUQUHR-ZDUSSCGKSA-N 0 0 325.364 5.060 50 0 EKAARN COc1cccc2cc([C@@H](C)OC(=O)Nc3ccc(C)cc3)oc21 ZINC000001406486 564065223 /nfs/dbraw/zinc/06/52/23/564065223.db2.gz UDJCRPOVWUQUHR-CYBMUJFWSA-N 0 0 325.364 5.060 50 0 EKAARN COc1cccc2cc([C@H](C)OC(=O)Nc3cccc(Cl)c3)oc21 ZINC000001406586 209742942 /nfs/dbraw/zinc/74/29/42/209742942.db2.gz YYGDGNGPPWTAIH-NSHDSACASA-N 0 0 345.782 5.405 50 0 EKAARN COc1cccc2cc([C@@H](C)OC(=O)Nc3cccc(Cl)c3)oc21 ZINC000001406588 209742653 /nfs/dbraw/zinc/74/26/53/209742653.db2.gz YYGDGNGPPWTAIH-LLVKDONJSA-N 0 0 345.782 5.405 50 0 EKAARN Clc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1 ZINC000001406788 209742409 /nfs/dbraw/zinc/74/24/09/209742409.db2.gz GWYYCGQQCOOEHB-UHFFFAOYSA-N 0 0 333.243 5.602 50 0 EKAARN c1cc2cccc3[nH]c(-c4nc5cccc6cccc([nH]4)c65)nc(c1)c23 ZINC000001407225 209743065 /nfs/dbraw/zinc/74/30/65/209743065.db2.gz HCULNKIOBCLKMQ-UHFFFAOYSA-N 0 0 334.382 5.413 50 0 EKAARN Cc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4C)[nH]n3)n[nH]2)c(C)c1 ZINC000001413558 563388225 /nfs/dbraw/zinc/38/82/25/563388225.db2.gz XJIUXIJADCKFIU-UHFFFAOYSA-N 0 0 342.446 5.367 50 0 EKAARN Cc1cc2nc(-c3cccc(NC(=O)CC(C)C)c3C)oc2c(C)c1 ZINC000001413938 563388104 /nfs/dbraw/zinc/38/81/04/563388104.db2.gz ATRBHKSALRELPD-UHFFFAOYSA-N 0 0 336.435 5.405 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccccc2)C1(C)C ZINC000001414677 564065911 /nfs/dbraw/zinc/06/59/11/564065911.db2.gz ZMTZIUYTBVUPBL-WIYYLYMNSA-N 0 0 346.474 5.036 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccccc2)C1(C)C ZINC000001414678 564065909 /nfs/dbraw/zinc/06/59/09/564065909.db2.gz ZMTZIUYTBVUPBL-NQIIRXRSSA-N 0 0 346.474 5.036 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccccc2)C1(C)C ZINC000001414679 564065927 /nfs/dbraw/zinc/06/59/27/564065927.db2.gz ZMTZIUYTBVUPBL-GHTZIAJQSA-N 0 0 346.474 5.036 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)c2ccccc2)C1(C)C ZINC000001414680 564065917 /nfs/dbraw/zinc/06/59/17/564065917.db2.gz ZMTZIUYTBVUPBL-RXVVDRJESA-N 0 0 346.474 5.036 50 0 EKAARN Cc1onc(-c2ccccc2)c1-c1nc(-c2ccc(C)cc2)cs1 ZINC000001414953 209744017 /nfs/dbraw/zinc/74/40/17/209744017.db2.gz FRTMNKUJVGMDIZ-UHFFFAOYSA-N 0 0 332.428 5.749 50 0 EKAARN COc1ccc(-c2csc(-c3c(C)onc3-c3ccccc3)n2)cc1 ZINC000001414954 564065899 /nfs/dbraw/zinc/06/58/99/564065899.db2.gz MTGNREWFUOMMEX-UHFFFAOYSA-N 0 0 348.427 5.449 50 0 EKAARN CCOC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000001418795 564013021 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564003601 /nfs/dbraw/zinc/00/36/01/564003601.db2.gz VCBHWUUCWACVOH-UHFFFAOYSA-N 0 0 341.385 5.957 50 0 EKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)cc1 ZINC000001505408 564074727 /nfs/dbraw/zinc/07/47/27/564074727.db2.gz ZMBXYNLOABXELB-UHFFFAOYSA-N 0 0 348.402 5.355 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1C ZINC000001506364 564074748 /nfs/dbraw/zinc/07/47/48/564074748.db2.gz HFDUSMDIOHAICO-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(Cl)c1 ZINC000001506425 563391279 /nfs/dbraw/zinc/39/12/79/563391279.db2.gz CRNKBGKSTHDOJB-UHFFFAOYSA-N 0 0 338.819 5.355 50 0 EKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000001507579 209754891 /nfs/dbraw/zinc/75/48/91/209754891.db2.gz NUMUYHIYXWNCRO-UHFFFAOYSA-N 0 0 348.402 5.355 50 0 EKAARN Cc1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000001507946 564074838 /nfs/dbraw/zinc/07/48/38/564074838.db2.gz RBSBQGIHULJQMN-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN C[C@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000001511238 564075043 /nfs/dbraw/zinc/07/50/43/564075043.db2.gz APKIQWGYMLOZKA-AWEZNQCLSA-N 0 0 348.471 5.187 50 0 EKAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000001511243 564075050 /nfs/dbraw/zinc/07/50/50/564075050.db2.gz APKIQWGYMLOZKA-CQSZACIVSA-N 0 0 348.471 5.187 50 0 EKAARN CCc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)n2)cc1 ZINC000001512070 209755285 /nfs/dbraw/zinc/75/52/85/209755285.db2.gz BEAKYWLBGMCJIR-UHFFFAOYSA-N 0 0 336.460 5.242 50 0 EKAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(F)cc1 ZINC000001513074 564075115 /nfs/dbraw/zinc/07/51/15/564075115.db2.gz PFGLNAIANHLHRW-UHFFFAOYSA-N 0 0 348.402 5.355 50 0 EKAARN O=C(Nc1ccc(F)cc1F)c1cccc(Oc2ccccc2)c1 ZINC000001513117 564075105 /nfs/dbraw/zinc/07/51/05/564075105.db2.gz AAJAVLXMKAMHKZ-UHFFFAOYSA-N 0 0 325.314 5.009 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000001513683 564075213 /nfs/dbraw/zinc/07/52/13/564075213.db2.gz YYAGWKRLPZXOOK-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccs1 ZINC000001513958 209757146 /nfs/dbraw/zinc/75/71/46/209757146.db2.gz UEQSJQCQYPVLAW-UHFFFAOYSA-N 0 0 336.441 5.277 50 0 EKAARN Cc1nc2sc3c(c2c(Oc2cccc4cccnc42)n1)CCCC3 ZINC000001514395 564075222 /nfs/dbraw/zinc/07/52/22/564075222.db2.gz PSTQIBRWJZUMOB-UHFFFAOYSA-N 0 0 347.443 5.219 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001514731 564118939 /nfs/dbraw/zinc/11/89/39/564118939.db2.gz ASUCRFVOBIZQSN-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN CCc1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1 ZINC000001518218 564075704 /nfs/dbraw/zinc/07/57/04/564075704.db2.gz PXDMUCVCTOQDSR-UHFFFAOYSA-N 0 0 342.851 5.278 50 0 EKAARN O=Cc1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 ZINC000001527946 563391367 /nfs/dbraw/zinc/39/13/67/563391367.db2.gz ZPJUFHOVCWKNQO-UHFFFAOYSA-N 0 0 347.226 5.335 50 0 EKAARN Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000001543799 209757664 /nfs/dbraw/zinc/75/76/64/209757664.db2.gz KGRVJHAUYBGFFP-UHFFFAOYSA-N 0 0 340.507 5.900 50 0 EKAARN c1ccc(CSc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000001553772 564003633 /nfs/dbraw/zinc/00/36/33/564003633.db2.gz ZARFDTJTQSGPEC-UHFFFAOYSA-N 0 0 328.440 5.589 50 0 EKAARN c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001554888 564079385 /nfs/dbraw/zinc/07/93/85/564079385.db2.gz ROTUJQFQEFHPJK-UHFFFAOYSA-N 0 0 342.467 6.036 50 0 EKAARN CC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000001558545 209759188 /nfs/dbraw/zinc/75/91/88/209759188.db2.gz FYUABHFDUHJWOZ-UHFFFAOYSA-N 0 0 332.399 5.047 50 0 in-vitro EKAARN CC(C)(C)c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001561917 564081631 /nfs/dbraw/zinc/08/16/31/564081631.db2.gz DQGFHAXHQIHSOQ-UHFFFAOYSA-N 0 0 330.493 5.114 50 0 EKAARN O=P(NCc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000001562086 209758721 /nfs/dbraw/zinc/75/87/21/209758721.db2.gz WWOHGSPVWZHMKU-UHFFFAOYSA-N 0 0 339.331 5.042 50 0 EKAARN C(=C/c1ccc2ccc(/C=C/c3ccccc3)cc2c1)\c1ccccc1 ZINC000001565080 563392559 /nfs/dbraw/zinc/39/25/59/563392559.db2.gz BAXGJINOQBOMFG-PHEQNACWSA-N 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AKTHGADVIFAPPT-UHFFFAOYSA-N 0 0 332.943 5.381 50 0 in-vitro EKAARN Cc1cc(C)c(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1 ZINC000001600042 209765405 /nfs/dbraw/zinc/76/54/05/209765405.db2.gz CHTZTQWATBZLTP-UHFFFAOYSA-N 0 0 328.411 5.074 50 0 EKAARN Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000001601259 563395709 /nfs/dbraw/zinc/39/57/09/563395709.db2.gz UYQCXCBNAHYAGA-UHFFFAOYSA-N 0 0 335.834 5.419 50 0 EKAARN Cc1ccc(NC(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1 ZINC000001602541 209765346 /nfs/dbraw/zinc/76/53/46/209765346.db2.gz IVDWIVQISAEQIO-UHFFFAOYSA-N 0 0 335.834 5.116 50 0 EKAARN C(=C/c1ccc(-c2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1 ZINC000001615336 563396788 /nfs/dbraw/zinc/39/67/88/563396788.db2.gz HXWQJYVUJPBQEW-VAWYXSNFSA-N 0 0 332.446 7.191 50 0 EKAARN S=C(Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000001620756 209767915 /nfs/dbraw/zinc/76/79/15/209767915.db2.gz VFCZSWPNOOGGAJ-UHFFFAOYSA-N 0 0 328.440 5.802 50 0 EKAARN O=C(c1cc2ccccc2o1)N(Cc1ccccc1)c1ccccc1 ZINC000001628986 564081884 /nfs/dbraw/zinc/08/18/84/564081884.db2.gz MNNOTYOXUNXPPQ-UHFFFAOYSA-N 0 0 327.383 5.280 50 0 EKAARN O=C(c1ccccc1)c1cccc2cccc(C(=O)c3ccccc3)c21 ZINC000001632936 209770496 /nfs/dbraw/zinc/77/04/96/209770496.db2.gz QPKUOOVISUGIRK-UHFFFAOYSA-N 0 0 336.390 5.302 50 0 EKAARN Cc1c(C)c(C(Cl)(Cl)Cl)c(C)c(C)c1Br ZINC000001638520 563398554 /nfs/dbraw/zinc/39/85/54/563398554.db2.gz GMXDCDANZLPRFE-UHFFFAOYSA-N 0 0 330.480 5.509 50 0 EKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Cl ZINC000001640155 563398523 /nfs/dbraw/zinc/39/85/23/563398523.db2.gz CAACRHCEWMUNCL-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1 ZINC000001640187 564117901 /nfs/dbraw/zinc/11/79/01/564117901.db2.gz RICQYUZZQYCSRS-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccccc1Cl ZINC000001640193 205598084 /nfs/dbraw/zinc/59/80/84/205598084.db2.gz GAIZEDOIOFGPTR-UHFFFAOYSA-N 0 0 337.810 5.728 50 0 EKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001640248 564118930 /nfs/dbraw/zinc/11/89/30/564118930.db2.gz ZYKXFGUTFYEAPK-UHFFFAOYSA-N 0 0 345.613 5.299 50 0 EKAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Cl)Sc1ccccc1 ZINC000001640443 564003609 /nfs/dbraw/zinc/00/36/09/564003609.db2.gz NIFFNYXRSDRUQE-CSKARUKUSA-N 0 0 345.034 5.349 50 0 EKAARN O=[N+]([O-])/C(Cl)=C(\Sc1ccccc1)C(Cl)=C(Cl)Cl ZINC000001640446 563398536 /nfs/dbraw/zinc/39/85/36/563398536.db2.gz OGKBNGLIROMCEK-NTMALXAHSA-N 0 0 345.034 5.349 50 0 EKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000001646005 201515170 /nfs/dbraw/zinc/51/51/70/201515170.db2.gz UJIFTMKGZMKICP-QGZVFWFLSA-N 0 0 337.331 5.203 50 0 EKAARN c1ccc2c(c1)c1ccccc1n2Cn1c2ccccc2c2ccccc21 ZINC000001646307 201358801 /nfs/dbraw/zinc/35/88/01/201358801.db2.gz ZHENGQSAYATKAZ-UHFFFAOYSA-N 0 0 346.433 6.408 50 0 in-vitro EKAARN Brc1ccc(C2([NH+]3CCCCC3)CCCCC2)s1 ZINC000001657848 563399937 /nfs/dbraw/zinc/39/99/37/563399937.db2.gz ZJSLJZMJNFSODC-UHFFFAOYSA-N 0 0 328.319 5.156 50 0 EKAARN CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc21 ZINC000001658570 563399961 /nfs/dbraw/zinc/39/99/61/563399961.db2.gz DBMJZOMNXBSRED-OQLLNIDSSA-N 0 0 338.403 5.611 50 0 aggregator,biogenic,in-vitro EKAARN CC(C)[C@H](c1ccccc1)N(O[C@@H](C)c1ccccc1)C(C)(C)C ZINC000001659295 563399985 /nfs/dbraw/zinc/39/99/85/563399985.db2.gz FPFRTDOMIFBPBZ-GHTZIAJQSA-N 0 0 325.496 6.177 50 0 EKAARN Clc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1 ZINC000001660476 209777635 /nfs/dbraw/zinc/77/76/35/209777635.db2.gz VTXIJSKJUMZHBW-UHFFFAOYSA-N 0 0 342.829 6.131 50 0 EKAARN Clc1ccc(SC/C=C/CSc2ccc(Cl)cc2)cc1 ZINC000001665390 563400661 /nfs/dbraw/zinc/40/06/61/563400661.db2.gz IYDMTDVSXXUTME-OWOJBTEDSA-N 0 0 341.328 6.434 50 0 EKAARN c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21 ZINC000001665815 209776836 /nfs/dbraw/zinc/77/68/36/209776836.db2.gz QXAIDADUIMVTPS-UHFFFAOYSA-N 0 0 330.430 6.611 50 0 EKAARN c1ccc2[nH]c(CCCCCCCCc3nc4ccccc4[nH]3)nc2c1 ZINC000001667467 563400971 /nfs/dbraw/zinc/40/09/71/563400971.db2.gz IHORDQFAOPQUJD-UHFFFAOYSA-N 0 0 346.478 5.565 50 0 EKAARN c1ccc2sc(SCSc3nc4ccccc4s3)nc2c1 ZINC000001668253 563401329 /nfs/dbraw/zinc/40/13/29/563401329.db2.gz MXPRFFFCRFBOPX-UHFFFAOYSA-N 0 0 346.527 5.748 50 0 in-vitro EKAARN CCOC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001668313 209778888 /nfs/dbraw/zinc/77/88/88/209778888.db2.gz NYYTYLFIZXIQLH-UHFFFAOYSA-N 0 0 338.401 5.489 50 0 EKAARN Br/C(=C(\Br)c1ccccc1)c1ccccc1 ZINC000001670916 209779171 /nfs/dbraw/zinc/77/91/71/209779171.db2.gz XNJYRGMCZCPTJE-YPKPFQOOSA-N 0 0 338.042 5.302 50 0 EKAARN BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001670927 209779324 /nfs/dbraw/zinc/77/93/24/209779324.db2.gz VUQVJIUBUPPCDB-UHFFFAOYSA-N 0 0 335.244 5.998 50 0 EKAARN O=C1C[C@@H](c2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 ZINC000001671260 209779336 /nfs/dbraw/zinc/77/93/36/209779336.db2.gz SUCOITMKXZOZJV-HNNXBMFYSA-N 0 0 327.594 5.353 50 0 EKAARN c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000001673123 563402004 /nfs/dbraw/zinc/40/20/04/563402004.db2.gz FDRNXKXKFNHNCA-UHFFFAOYSA-N 0 0 336.438 6.841 50 0 EKAARN BrC1(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001674485 563402016 /nfs/dbraw/zinc/40/20/16/563402016.db2.gz JNPKSLRRDMTMRS-UHFFFAOYSA-N 0 0 347.255 5.901 50 0 EKAARN c1ccc(C(=C2c3ccccc3-c3ccccc32)c2ccccc2)cc1 ZINC000001676166 201516212 /nfs/dbraw/zinc/51/62/12/201516212.db2.gz CGUOPWAERAISDV-UHFFFAOYSA-N 0 0 330.430 6.674 50 0 EKAARN c1cc2c3c(cccc3c1)-c1c-2sc2c1-c1cccc3cccc-2c13 ZINC000001680367 209781240 /nfs/dbraw/zinc/78/12/40/209781240.db2.gz RSYZJSLQEJIVSN-UHFFFAOYSA-N 0 0 332.427 7.349 50 0 EKAARN ClC1=C(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl ZINC000001680374 563402708 /nfs/dbraw/zinc/40/27/08/563402708.db2.gz DMZRCHJVWAKCAX-UHFFFAOYSA-N 0 0 343.679 5.211 50 0 EKAARN C(=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 ZINC000001680857 563402767 /nfs/dbraw/zinc/40/27/67/563402767.db2.gz IFDRDSWHWMTLKM-UHFFFAOYSA-N 0 0 344.457 6.849 50 0 EKAARN c1ccc(N(c2ccccc2)N(c2ccccc2)c2ccccc2)cc1 ZINC000001681439 563402717 /nfs/dbraw/zinc/40/27/17/563402717.db2.gz KRMMZNOTUOIFQX-UHFFFAOYSA-N 0 0 336.438 6.578 50 0 EKAARN c1ccc2[nH]c(CCCCCCCc3nc4ccccc4[nH]3)nc2c1 ZINC000001683827 563403121 /nfs/dbraw/zinc/40/31/21/563403121.db2.gz NGFIPNAXPMRBAC-UHFFFAOYSA-N 0 0 332.451 5.175 50 0 EKAARN c1ccc2c(c1)Cc1c-2c2c(c3c1-c1ccccc1C3)-c1ccccc1C2 ZINC000001687008 563403351 /nfs/dbraw/zinc/40/33/51/563403351.db2.gz YGPLLMPPZRUGTJ-UHFFFAOYSA-N 0 0 342.441 6.400 50 0 EKAARN O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000001688738 209782334 /nfs/dbraw/zinc/78/23/34/209782334.db2.gz XZZNDPSIHUTMOC-UHFFFAOYSA-N 0 0 326.288 5.332 50 0 in-vitro EKAARN Cc1cc(-c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000001690405 563403929 /nfs/dbraw/zinc/40/39/29/563403929.db2.gz UFFRXKCBFTZHIG-UHFFFAOYSA-N 0 0 326.480 5.977 50 0 in-vitro EKAARN Cc1cc(Cc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000001694485 564053694 /nfs/dbraw/zinc/05/36/94/564053694.db2.gz RKLRVTKRKFEVQG-UHFFFAOYSA-N 0 0 340.507 5.900 50 0 EKAARN CCOC(=O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000001703594 563405433 /nfs/dbraw/zinc/40/54/33/563405433.db2.gz CLTGCNWALWRZLV-UHFFFAOYSA-N 0 0 346.213 5.385 50 0 EKAARN c1ccc(CSC(SCc2ccccc2)c2ccccc2)cc1 ZINC000001706227 563405489 /nfs/dbraw/zinc/40/54/89/563405489.db2.gz BEEFCYOEIGRSEM-UHFFFAOYSA-N 0 0 336.525 6.552 50 0 EKAARN Cc1ccccc1NP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000001712133 209785399 /nfs/dbraw/zinc/78/53/99/209785399.db2.gz UJEPASNMYKNFKJ-UHFFFAOYSA-N 0 0 339.331 5.673 50 0 EKAARN CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1 ZINC000001720923 563406936 /nfs/dbraw/zinc/40/69/36/563406936.db2.gz JOKZWHPYNRDCOA-UHFFFAOYSA-N 0 0 325.334 6.342 50 0 EKAARN c1ccc2c(c1)-c1ccccc1C2=C1c2ccccc2-c2ccccc21 ZINC000001724509 563407154 /nfs/dbraw/zinc/40/71/54/563407154.db2.gz NVMYRXGXUBZAIU-UHFFFAOYSA-N 0 0 328.414 6.655 50 0 EKAARN Clc1ccc(SCCCCSc2ccc(Cl)cc2)cc1 ZINC000001724600 201518333 /nfs/dbraw/zinc/51/83/33/201518333.db2.gz BQIXZVKTIWEDJR-UHFFFAOYSA-N 0 0 343.344 6.658 50 0 EKAARN Cc1ccc(CSc2ssc(=S)c2-c2ccccc2)cc1 ZINC000001727240 209788108 /nfs/dbraw/zinc/78/81/08/209788108.db2.gz OUKCJDWWFQLSIW-UHFFFAOYSA-N 0 0 346.567 6.807 50 0 EKAARN O=C(CC[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001728329 563407605 /nfs/dbraw/zinc/40/76/05/563407605.db2.gz HKGOVXWRWWAJDE-OAQYLSRUSA-N 0 0 328.411 5.316 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Sc1ccc(Cl)cc1 ZINC000001728330 563992233 /nfs/dbraw/zinc/99/22/33/563992233.db2.gz GJFBRWHBAOSNMJ-UHFFFAOYSA-N 0 0 332.639 5.971 50 0 EKAARN Cc1ccccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000001732610 563408335 /nfs/dbraw/zinc/40/83/35/563408335.db2.gz UKMVOWWURGAJAH-UHFFFAOYSA-N 0 0 337.806 5.926 50 0 EKAARN O=C(Nc1cccc2ccccc21)Oc1ccc(C2CCCCC2)cc1 ZINC000001732644 564076050 /nfs/dbraw/zinc/07/60/50/564076050.db2.gz PISRNJSMBLUSAW-UHFFFAOYSA-N 0 0 345.442 6.498 50 0 EKAARN Cc1ccccc1SC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001738430 564076027 /nfs/dbraw/zinc/07/60/27/564076027.db2.gz OAMUQEIKDAPOFN-UHFFFAOYSA-N 0 0 345.773 5.991 50 0 EKAARN O=C(/C=C/c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001738853 564118953 /nfs/dbraw/zinc/11/89/53/564118953.db2.gz CXHYCBMCRQKTNA-VOTSOKGWSA-N 0 0 326.610 5.299 50 0 EKAARN CC(C)CCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000001738931 209789065 /nfs/dbraw/zinc/78/90/65/209789065.db2.gz IPZBKRZCXMWIMK-IBGZPJMESA-N 0 0 348.534 6.433 50 0 EKAARN CC(C)CCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000001738935 564084871 /nfs/dbraw/zinc/08/48/71/564084871.db2.gz IPZBKRZCXMWIMK-LJQANCHMSA-N 0 0 348.534 6.433 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001741516 563409003 /nfs/dbraw/zinc/40/90/03/563409003.db2.gz OOQFZFJBRDBCGI-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001741553 564076041 /nfs/dbraw/zinc/07/60/41/564076041.db2.gz QFPPPGQTTWWPHW-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN CC(=O)c1cccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000001741659 563408990 /nfs/dbraw/zinc/40/89/90/563408990.db2.gz VNASFZLNQYQJRU-UHFFFAOYSA-N 0 0 345.402 5.277 50 0 EKAARN CSc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001741763 563408987 /nfs/dbraw/zinc/40/89/87/563408987.db2.gz KGDVFDITDSTXHC-UHFFFAOYSA-N 0 0 326.343 5.071 50 0 EKAARN CCCCOc1ccc(OC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000001741812 563408991 /nfs/dbraw/zinc/40/89/91/563408991.db2.gz CKXQHUYUCMQHGK-UHFFFAOYSA-N 0 0 349.814 5.138 50 0 EKAARN Cc1ccc(C)c(NC(=O)N(C2CCCCC2)C2CCCCC2)c1 ZINC000001741854 564076045 /nfs/dbraw/zinc/07/60/45/564076045.db2.gz OQOIHGQFEGAXFZ-UHFFFAOYSA-N 0 0 328.500 5.803 50 0 EKAARN Cc1[nH]c2c(cccc2NC(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000001742857 563409217 /nfs/dbraw/zinc/40/92/17/563409217.db2.gz QMJDSXZHYRVXLE-UHFFFAOYSA-N 0 0 332.325 5.056 50 0 EKAARN CC(C)CN(CC(C)C)c1nc(-c2ccccc2)nc2ccccc21 ZINC000001745080 201518386 /nfs/dbraw/zinc/51/83/86/201518386.db2.gz SBZLOPCTQSKTGJ-UHFFFAOYSA-N 0 0 333.479 5.415 50 0 EKAARN CCc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000001745092 564086965 /nfs/dbraw/zinc/08/69/65/564086965.db2.gz OCBBCIROPNCVJL-UHFFFAOYSA-N 0 0 325.415 5.603 50 0 EKAARN Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1C ZINC000001745095 201518316 /nfs/dbraw/zinc/51/83/16/201518316.db2.gz TWKZMPYQCLUOFC-UHFFFAOYSA-N 0 0 325.415 5.657 50 0 EKAARN c1ccc(-c2nc3ccccc3c(Nc3cccc4ccccc43)n2)cc1 ZINC000001745098 564086992 /nfs/dbraw/zinc/08/69/92/564086992.db2.gz UHWDXFWOPXUHPG-UHFFFAOYSA-N 0 0 347.421 6.194 50 0 EKAARN COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000001748766 209789729 /nfs/dbraw/zinc/78/97/29/209789729.db2.gz STFRNQJMPQIRPD-UHFFFAOYSA-N 0 0 345.829 6.231 50 0 EKAARN CC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000001748772 564099119 /nfs/dbraw/zinc/09/91/19/564099119.db2.gz LOSAYZQTPQUBLS-UHFFFAOYSA-N 0 0 332.399 5.047 50 0 EKAARN CCCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000001750916 209789762 /nfs/dbraw/zinc/78/97/62/209789762.db2.gz GMLULPULUBNFDS-UHFFFAOYSA-N 0 0 343.279 5.169 50 0 EKAARN CCCCCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000001750919 564056976 /nfs/dbraw/zinc/05/69/76/564056976.db2.gz IHDYJTIJGGOADD-UHFFFAOYSA-N 0 0 336.888 5.296 50 0 EKAARN Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C)c3)s2)c1 ZINC000001751057 209789452 /nfs/dbraw/zinc/78/94/52/209789452.db2.gz VJSFLQGDRZAFLW-MDZDMXLPSA-N 0 0 348.471 5.003 50 0 EKAARN CC(C)(C)c1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000001751577 564087252 /nfs/dbraw/zinc/08/72/52/564087252.db2.gz XDNBDYMMKYPAON-UHFFFAOYSA-N 0 0 326.443 5.966 50 0 EKAARN Clc1nc(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1Cl ZINC000001751807 563409589 /nfs/dbraw/zinc/40/95/89/563409589.db2.gz YMBFWRZKTZICHS-UHFFFAOYSA-N 0 0 334.244 5.522 50 0 EKAARN O=C(Nc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000001752563 564087264 /nfs/dbraw/zinc/08/72/64/564087264.db2.gz QYDGLCSQCDNMPD-UHFFFAOYSA-N 0 0 334.394 5.060 50 0 EKAARN O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001752594 563409595 /nfs/dbraw/zinc/40/95/95/563409595.db2.gz SGAZHGKJHYMFNS-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000001752607 564087239 /nfs/dbraw/zinc/08/72/39/564087239.db2.gz MLHFUXPVQRRWBE-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN Cc1ccc(Cl)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001752673 209789469 /nfs/dbraw/zinc/78/94/69/209789469.db2.gz BDDPRIPIZSZUCF-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000001752675 209789459 /nfs/dbraw/zinc/78/94/59/209789459.db2.gz YIMJBZVXGDNYHX-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN CC(C)N(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000001752691 201519889 /nfs/dbraw/zinc/51/98/89/201519889.db2.gz ZTXLPUGONPOGIG-UHFFFAOYSA-N 0 0 328.378 5.280 50 0 EKAARN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000001752700 563409528 /nfs/dbraw/zinc/40/95/28/563409528.db2.gz SBBWMXLQSVTJKI-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000001752809 564003625 /nfs/dbraw/zinc/00/36/25/564003625.db2.gz PCDOFHFGRMBSDN-UHFFFAOYSA-N 0 0 342.748 5.023 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl ZINC000001753005 564076040 /nfs/dbraw/zinc/07/60/40/564076040.db2.gz PJFSBPDZRWCMRI-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN O=C(Nc1cccc(F)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001753335 209789944 /nfs/dbraw/zinc/78/99/44/209789944.db2.gz IKXRLMKNLUTWLV-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001753345 564013097 /nfs/dbraw/zinc/01/30/97/564013097.db2.gz UOYUAGNNKGLAND-UHFFFAOYSA-N 0 0 334.394 5.060 50 0 EKAARN CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C ZINC000001757468 563409928 /nfs/dbraw/zinc/40/99/28/563409928.db2.gz ODTQUKVFOLFLIQ-UHFFFAOYSA-N 0 0 344.325 5.030 50 0 EKAARN CCOP(=O)(OCC)[C@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000001758476 209790318 /nfs/dbraw/zinc/79/03/18/209790318.db2.gz LNRXYBLFZVYDPT-SFHVURJKSA-N 0 0 333.368 5.372 50 0 EKAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C)cc1)c1ccccc1 ZINC000001758478 564056989 /nfs/dbraw/zinc/05/69/89/564056989.db2.gz LNRXYBLFZVYDPT-GOSISDBHSA-N 0 0 333.368 5.372 50 0 EKAARN CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccccc2N)cc1 ZINC000001761759 206318798 /nfs/dbraw/zinc/31/87/98/206318798.db2.gz SNURMEDSOLSWTL-UHFFFAOYSA-N 0 0 341.495 5.440 50 0 EKAARN Br/C(=C(/Br)c1ccccc1)c1ccccc1 ZINC000001765197 564076049 /nfs/dbraw/zinc/07/60/49/564076049.db2.gz XNJYRGMCZCPTJE-BUHFOSPRSA-N 0 0 338.042 5.302 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001766718 209791393 /nfs/dbraw/zinc/79/13/93/209791393.db2.gz ROLAEDJDOHFYQW-UHFFFAOYSA-N 0 0 329.443 6.038 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001766728 209791608 /nfs/dbraw/zinc/79/16/08/209791608.db2.gz JKHTXMQUPACTGZ-CSKARUKUSA-N 0 0 348.273 6.077 50 0 EKAARN CCCCOc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001768229 209791523 /nfs/dbraw/zinc/79/15/23/209791523.db2.gz AUSQWJOGPBRHQL-UHFFFAOYSA-N 0 0 338.403 5.381 50 0 EKAARN Clc1cccc(N2COc3ccc4ccccc4c3C2)c1Cl ZINC000001768273 564087401 /nfs/dbraw/zinc/08/74/01/564087401.db2.gz UKBGISZEJIULRE-UHFFFAOYSA-N 0 0 330.214 5.503 50 0 EKAARN CCCCOc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000001768868 564087411 /nfs/dbraw/zinc/08/74/11/564087411.db2.gz WQFKGQKVUCDXPD-UHFFFAOYSA-N 0 0 342.442 5.847 50 0 EKAARN CCC(CC)c1nc2ccccc2c(Nc2ccc(C)c(Cl)c2)n1 ZINC000001769211 564087405 /nfs/dbraw/zinc/08/74/05/564087405.db2.gz AIEQQFUQUBEGIE-UHFFFAOYSA-N 0 0 339.870 6.239 50 0 biogenic,in-vitro EKAARN CCCCCOc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769961 563410245 /nfs/dbraw/zinc/41/02/45/563410245.db2.gz KPYFVFGRBSEPSO-UHFFFAOYSA-N 0 0 338.403 5.463 50 0 EKAARN Cc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000001770432 563410229 /nfs/dbraw/zinc/41/02/29/563410229.db2.gz BANTWGAXHWCUFS-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN Cc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000001770434 201519520 /nfs/dbraw/zinc/51/95/20/201519520.db2.gz UHJUQHVDDZYZFI-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN CCCCOC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000001770725 209791459 /nfs/dbraw/zinc/79/14/59/209791459.db2.gz ZFODAZZVXNLHSX-UHFFFAOYSA-N 0 0 340.448 5.620 50 0 EKAARN CCCCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C ZINC000001770794 563410226 /nfs/dbraw/zinc/41/02/26/563410226.db2.gz QOHJFLQJQNTXQD-QHCPKHFHSA-N 0 0 335.491 5.698 50 0 EKAARN CCCCC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000001770796 563410233 /nfs/dbraw/zinc/41/02/33/563410233.db2.gz QOHJFLQJQNTXQD-HSZRJFAPSA-N 0 0 335.491 5.698 50 0 EKAARN CCCCOc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770829 209791741 /nfs/dbraw/zinc/79/17/41/209791741.db2.gz SPRAVGGSMRKIJB-UHFFFAOYSA-N 0 0 328.795 5.292 50 0 EKAARN CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000001771119 563410273 /nfs/dbraw/zinc/41/02/73/563410273.db2.gz FSPJSTNIPFIEMT-UHFFFAOYSA-N 0 0 337.916 5.352 50 0 EKAARN Cc1c(Cl)cccc1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000001771420 564087457 /nfs/dbraw/zinc/08/74/57/564087457.db2.gz XQRUDAOJGKONBF-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN Cc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000001771421 564057285 /nfs/dbraw/zinc/05/72/85/564057285.db2.gz HLEHXMNIECWFAF-UHFFFAOYSA-N 0 0 325.415 5.657 50 0 EKAARN CCc1cccc(C)c1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000001771422 564057276 /nfs/dbraw/zinc/05/72/76/564057276.db2.gz BNFBVPAZAXGXAL-UHFFFAOYSA-N 0 0 339.442 5.911 50 0 EKAARN CCCCN(CCCC)c1nc(-c2ccccc2)nc2ccccc21 ZINC000001771425 209791732 /nfs/dbraw/zinc/79/17/32/209791732.db2.gz LGEUPWJDWBYSIG-UHFFFAOYSA-N 0 0 333.479 5.703 50 0 EKAARN Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001772497 563410596 /nfs/dbraw/zinc/41/05/96/563410596.db2.gz YJHZBGAXNCYVOL-UHFFFAOYSA-N 0 0 338.234 5.100 50 0 EKAARN CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001772547 564087441 /nfs/dbraw/zinc/08/74/41/564087441.db2.gz WSQGOAZBKMWOHP-VZUCSPMQSA-N 0 0 349.257 5.910 50 0 EKAARN CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773036 564057338 /nfs/dbraw/zinc/05/73/38/564057338.db2.gz LVPVHNSCRNZOMD-UHFFFAOYSA-N 0 0 346.261 5.672 50 0 EKAARN CCN(CC)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773044 564087452 /nfs/dbraw/zinc/08/74/52/564087452.db2.gz WYIJNZSJPNKWMU-UHFFFAOYSA-N 0 0 346.261 5.450 50 0 EKAARN C[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000001773076 564087461 /nfs/dbraw/zinc/08/74/61/564087461.db2.gz AEXWSMVZORVWML-INIZCTEOSA-N 0 0 325.415 5.470 50 0 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EKAARN CCN(CC)c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000001774695 209791775 /nfs/dbraw/zinc/79/17/75/209791775.db2.gz ZUKJOJKOPFLOOG-UHFFFAOYSA-N 0 0 333.479 5.441 50 0 EKAARN CCCCOc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000001775054 563410863 /nfs/dbraw/zinc/41/08/63/563410863.db2.gz LBUAKUABJMHLNB-UHFFFAOYSA-N 0 0 338.403 5.327 50 0 EKAARN CCCCOc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775055 201519482 /nfs/dbraw/zinc/51/94/82/201519482.db2.gz LESPKWNSCNFKKK-UHFFFAOYSA-N 0 0 344.794 5.418 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@@H](C)c3ccccc3)n2)cc1 ZINC000001775393 564087495 /nfs/dbraw/zinc/08/74/95/564087495.db2.gz JNZDOGLESVHXBU-KRWDZBQOSA-N 0 0 339.442 5.778 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@H](C)c3ccccc3)n2)cc1 ZINC000001775395 564087471 /nfs/dbraw/zinc/08/74/71/564087471.db2.gz JNZDOGLESVHXBU-QGZVFWFLSA-N 0 0 339.442 5.778 50 0 EKAARN Cc1cccc(-c2nc3ccccc3c(N(C)Cc3ccccc3)n2)c1 ZINC000001775576 563917908 /nfs/dbraw/zinc/91/79/08/563917908.db2.gz UKCKRCSTSFFUFW-UHFFFAOYSA-N 0 0 339.442 5.242 50 0 EKAARN Cc1cccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000001775859 563410918 /nfs/dbraw/zinc/41/09/18/563410918.db2.gz CCVZOIHWRWOZEA-UHFFFAOYSA-N 0 0 338.234 5.100 50 0 EKAARN Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001775870 563410880 /nfs/dbraw/zinc/41/08/80/563410880.db2.gz WKCYYHRFCKDWDR-UHFFFAOYSA-N 0 0 338.234 5.100 50 0 EKAARN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1Cl ZINC000001776083 205598049 /nfs/dbraw/zinc/59/80/49/205598049.db2.gz YHNOMZWEQDTZBP-FPYGCLRLSA-N 0 0 327.594 5.266 50 0 EKAARN O=C(/C=C/c1ccccc1Cl)Oc1ccc(Cl)cc1Cl ZINC000001776111 564087497 /nfs/dbraw/zinc/08/74/97/564087497.db2.gz JUKYBDMIKPTTGS-VMPITWQZSA-N 0 0 327.594 5.266 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)/C=C/c1ccccc1 ZINC000001776181 563410945 /nfs/dbraw/zinc/41/09/45/563410945.db2.gz HJEKKGZVYTVDRJ-BUHFOSPRSA-N 0 0 349.518 6.242 50 0 EKAARN CCCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001776740 209792967 /nfs/dbraw/zinc/79/29/67/209792967.db2.gz FFBUTBRWNUQYBQ-UHFFFAOYSA-N 0 0 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CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000001778079 563411245 /nfs/dbraw/zinc/41/12/45/563411245.db2.gz UOMQECRHRUFGIA-YRNVUSSQSA-N 0 0 329.827 5.089 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000001778083 209792710 /nfs/dbraw/zinc/79/27/10/209792710.db2.gz QATFRSPKNGOAAN-YRNVUSSQSA-N 0 0 329.827 5.089 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000001778086 563411225 /nfs/dbraw/zinc/41/12/25/563411225.db2.gz RKMBUTBXCGAJQY-NTEUORMPSA-N 0 0 331.415 5.281 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001778117 563411157 /nfs/dbraw/zinc/41/11/57/563411157.db2.gz YYTASSOHABDHAI-FMIVXFBMSA-N 0 0 349.352 5.146 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001778120 563411142 /nfs/dbraw/zinc/41/11/42/563411142.db2.gz WAXJEZRSRHCERO-DHZHZOJOSA-N 0 0 349.352 5.146 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001778150 209793092 /nfs/dbraw/zinc/79/30/92/209793092.db2.gz WATUQZCTRLQIDU-IZZDOVSWSA-N 0 0 329.827 5.089 50 0 EKAARN CCCOc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000001778160 563411216 /nfs/dbraw/zinc/41/12/16/563411216.db2.gz YWUFZMZMFUTKQV-JXMROGBWSA-N 0 0 343.854 5.398 50 0 EKAARN CCCCc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000001778447 209793118 /nfs/dbraw/zinc/79/31/18/209793118.db2.gz AZLDACOETHRJDQ-UHFFFAOYSA-N 0 0 337.492 5.656 50 0 EKAARN Cc1ccc(CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000001778561 563411564 /nfs/dbraw/zinc/41/15/64/563411564.db2.gz GNPPRLVNYMECPH-ZDUSSCGKSA-N 0 0 340.517 5.417 50 0 EKAARN Cc1ccc(CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000001778563 563411522 /nfs/dbraw/zinc/41/15/22/563411522.db2.gz GNPPRLVNYMECPH-CYBMUJFWSA-N 0 0 340.517 5.417 50 0 EKAARN Cc1cccc(CSc2ncnc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000001778564 209792786 /nfs/dbraw/zinc/79/27/86/209792786.db2.gz YNFQQKDZMMTABE-ZDUSSCGKSA-N 0 0 340.517 5.417 50 0 EKAARN Cc1cccc(CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000001778565 564087504 /nfs/dbraw/zinc/08/75/04/564087504.db2.gz YNFQQKDZMMTABE-CYBMUJFWSA-N 0 0 340.517 5.417 50 0 EKAARN CCc1cccc(CC)c1NC(=O)CCCOc1cc(C)ccc1C ZINC000001779183 563411585 /nfs/dbraw/zinc/41/15/85/563411585.db2.gz AXTLWFOWTCVXCQ-UHFFFAOYSA-N 0 0 339.479 5.226 50 0 EKAARN O=C(/C=C/c1ccc(F)cc1)N(C1CCCCC1)C1CCCCC1 ZINC000001779214 563411579 /nfs/dbraw/zinc/41/15/79/563411579.db2.gz BQWAAQJFXQIEOY-DTQAZKPQSA-N 0 0 329.459 5.333 50 0 EKAARN Cc1ccc(C)c(OCCCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000001779307 563411821 /nfs/dbraw/zinc/41/18/21/563411821.db2.gz QAGCOXXCGFFXED-UHFFFAOYSA-N 0 0 331.843 5.063 50 0 EKAARN Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000001779308 563411826 /nfs/dbraw/zinc/41/18/26/563411826.db2.gz KAHJGUUJGPSVLI-UHFFFAOYSA-N 0 0 331.843 5.063 50 0 EKAARN CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1 ZINC000001779318 209792564 /nfs/dbraw/zinc/79/25/64/209792564.db2.gz OMXBERNCHAZIMF-JLHYYAGUSA-N 0 0 329.827 5.171 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccccc1Cl ZINC000001779803 563411856 /nfs/dbraw/zinc/41/18/56/563411856.db2.gz GNQRPJBXBCHBSH-OUKQBFOZSA-N 0 0 341.882 6.239 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/nfs/dbraw/zinc/80/50/29/209805029.db2.gz DBYOVEIPQCLGSZ-VAWYXSNFSA-N 0 0 341.882 6.239 50 0 EKAARN CCCCc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000001909322 564058060 /nfs/dbraw/zinc/05/80/60/564058060.db2.gz XAUAGPSOROMFDV-UHFFFAOYSA-N 0 0 339.479 5.479 50 0 EKAARN CCCCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000001909335 564089430 /nfs/dbraw/zinc/08/94/30/564089430.db2.gz OTLPQXOQBCZXMB-UHFFFAOYSA-N 0 0 331.843 5.009 50 0 EKAARN CCCCc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000001909340 563415866 /nfs/dbraw/zinc/41/58/66/563415866.db2.gz HOLOUPDDVCEFJN-UHFFFAOYSA-N 0 0 325.452 5.170 50 0 EKAARN CCCCc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000001909358 564013242 /nfs/dbraw/zinc/01/32/42/564013242.db2.gz JARNKUWGVMMFLP-UHFFFAOYSA-N 0 0 332.241 5.044 50 0 EKAARN CCCCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001909390 563415849 /nfs/dbraw/zinc/41/58/49/563415849.db2.gz MDSVPENSZXVARD-UHFFFAOYSA-N 0 0 329.443 5.949 50 0 EKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000001909405 563415869 /nfs/dbraw/zinc/41/58/69/563415869.db2.gz ZLOXRFKZMJQTCQ-UHFFFAOYSA-N 0 0 341.332 5.625 50 0 EKAARN CCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000001910430 563416189 /nfs/dbraw/zinc/41/61/89/563416189.db2.gz KSIXWNWORKTPJZ-UHFFFAOYSA-N 0 0 331.843 5.009 50 0 EKAARN Cc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000001910521 563416181 /nfs/dbraw/zinc/41/61/81/563416181.db2.gz NIEPZYPSDQUYRJ-UHFFFAOYSA-N 0 0 331.843 5.063 50 0 EKAARN Cc1ccc(CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000001911867 564058070 /nfs/dbraw/zinc/05/80/70/564058070.db2.gz XEVGUCNHQIOKQR-UHFFFAOYSA-N 0 0 348.496 5.959 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000001913693 564058074 /nfs/dbraw/zinc/05/80/74/564058074.db2.gz LRTSITNMQQXACW-ZHACJKMWSA-N 0 0 348.273 6.077 50 0 EKAARN Cc1ccc(OCCCC(=O)Nc2ccccc2C(C)C)c(C)c1 ZINC000001913884 209805630 /nfs/dbraw/zinc/80/56/30/209805630.db2.gz LKLJUZYMPAZZPR-UHFFFAOYSA-N 0 0 325.452 5.225 50 0 EKAARN Cc1ccc(OCCCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000001913888 564089953 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Cc1nc2c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c2s1 ZINC000002227957 209832418 /nfs/dbraw/zinc/83/24/18/209832418.db2.gz RMQRIVFRSLUQRF-UHFFFAOYSA-N 0 0 330.815 5.400 50 0 EKAARN CCCCCCOc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 ZINC000002228531 568422018 /nfs/dbraw/zinc/42/20/18/568422018.db2.gz YJVNCFLGUBZLBA-UHFFFAOYSA-N 0 0 330.468 5.649 50 0 EKAARN Fc1ccccc1-c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000002232125 201527873 /nfs/dbraw/zinc/52/78/73/201527873.db2.gz HBRCUKLHJXARBR-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN CCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000002232204 563546293 /nfs/dbraw/zinc/54/62/93/563546293.db2.gz HFJVABIPSARBEX-UHFFFAOYSA-N 0 0 342.446 5.319 50 0 EKAARN CCCCC(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000002233396 563427386 /nfs/dbraw/zinc/42/73/86/563427386.db2.gz VSDJCOOTFWTXFT-UHFFFAOYSA-N 0 0 346.789 5.416 50 0 EKAARN Cc1cccc(-c2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)c1 ZINC000002234404 563427391 /nfs/dbraw/zinc/42/73/91/563427391.db2.gz MDZGESJGACHWNE-UHFFFAOYSA-N 0 0 348.475 5.126 50 0 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Cc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 ZINC000002248563 209834516 /nfs/dbraw/zinc/83/45/16/209834516.db2.gz VIJYHUYYAJEIMU-UHFFFAOYSA-N 0 0 342.427 5.006 50 0 EKAARN CCCN(CCC)C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000002250178 209834431 /nfs/dbraw/zinc/83/44/31/209834431.db2.gz DLDZDANBESWWAU-HXUWFJFHSA-N 0 0 333.516 5.252 50 0 EKAARN CCCN(CCC)C(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C ZINC000002250179 209834181 /nfs/dbraw/zinc/83/41/81/209834181.db2.gz DLDZDANBESWWAU-FQEVSTJZSA-N 0 0 333.516 5.252 50 0 EKAARN CC(C)=Cc1c(C(C)C)cc(-c2ccccc2)nc1-c1ccccc1 ZINC000002250421 568422351 /nfs/dbraw/zinc/42/23/51/568422351.db2.gz AZZJVRWSXMABDW-UHFFFAOYSA-N 0 0 327.471 6.962 50 0 EKAARN CCCCN(CCCC)c1nc(-c2cccnc2)nc2ccccc21 ZINC000002251513 209834157 /nfs/dbraw/zinc/83/41/57/209834157.db2.gz KHEPFDLGGPFMOV-UHFFFAOYSA-N 0 0 334.467 5.098 50 0 EKAARN O=C(CCCCCCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002256956 209834882 /nfs/dbraw/zinc/83/48/82/209834882.db2.gz ADEZYBRPGBHUFM-UHFFFAOYSA-N 0 0 330.374 5.371 50 0 EKAARN ClC1=C(c2ccccc2)[C@@]2(CC2(Cl)Cl)C1(Cl)Cl ZINC000002257032 564125413 /nfs/dbraw/zinc/12/54/13/564125413.db2.gz RMCYLLABFHUQLB-SNVBAGLBSA-N 0 0 328.453 5.388 50 0 EKAARN ClC1=C(c2ccccc2)[C@]2(CC2(Cl)Cl)C1(Cl)Cl ZINC000002257033 201529051 /nfs/dbraw/zinc/52/90/51/201529051.db2.gz RMCYLLABFHUQLB-JTQLQIEISA-N 0 0 328.453 5.388 50 0 EKAARN O=C(c1ccc(Cl)cc1Cl)n1c2ccccc2c2ccccc21 ZINC000002258276 201528457 /nfs/dbraw/zinc/52/84/57/201528457.db2.gz LMEOLVKMUVOHEC-UHFFFAOYSA-N 0 0 340.209 5.790 50 0 EKAARN c1ccc2nc(-c3ccc4cc5c(cc4n3)C[C@H]3C=CC=C[C@H]53)ccc2c1 ZINC000002258950 209835793 /nfs/dbraw/zinc/83/57/93/209835793.db2.gz XJLBNEZFPZKAEO-XLIONFOSSA-N 0 0 346.433 5.832 50 0 EKAARN c1ccc2nc(-c3ccc4cc5c(cc4n3)C[C@H]3C=CC=C[C@@H]53)ccc2c1 ZINC000002258951 564125353 /nfs/dbraw/zinc/12/53/53/564125353.db2.gz XJLBNEZFPZKAEO-YLJYHZDGSA-N 0 0 346.433 5.832 50 0 EKAARN c1ccc2nc(-c3ccc4cc5c(cc4n3)C[C@@H]3C=CC=C[C@H]53)ccc2c1 ZINC000002258952 564125363 /nfs/dbraw/zinc/12/53/63/564125363.db2.gz XJLBNEZFPZKAEO-PXNSSMCTSA-N 0 0 346.433 5.832 50 0 EKAARN c1ccc2nc(-c3ccc4cc5c(cc4n3)C[C@@H]3C=CC=C[C@@H]53)ccc2c1 ZINC000002258953 564125352 /nfs/dbraw/zinc/12/53/52/564125352.db2.gz XJLBNEZFPZKAEO-FXAWDEMLSA-N 0 0 346.433 5.832 50 0 EKAARN CCCCN(CCCC)C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002259499 563428091 /nfs/dbraw/zinc/42/80/91/563428091.db2.gz OHUJTXDWAFORAZ-UHFFFAOYSA-N 0 0 348.874 5.346 50 0 EKAARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1Cl ZINC000002260668 564125355 /nfs/dbraw/zinc/12/53/55/564125355.db2.gz KIKRCWLXWWEFCW-UHFFFAOYSA-N 0 0 338.234 5.100 50 0 EKAARN Cc1cc(C)c(C2N(c3ccccc3)CCN2c2ccccc2)c(C)c1 ZINC000002260761 209835773 /nfs/dbraw/zinc/83/57/73/209835773.db2.gz RTQYGNKUSROPJC-UHFFFAOYSA-N 0 0 342.486 5.637 50 0 EKAARN CC(C)(C)c1ccc(-c2nnc3sc(C4CCCCC4)nn32)cc1 ZINC000002264072 209835525 /nfs/dbraw/zinc/83/55/25/209835525.db2.gz MPCPYLHRKSQQEA-UHFFFAOYSA-N 0 0 340.496 5.198 50 0 EKAARN Cc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn32)cc1 ZINC000002264783 564125374 /nfs/dbraw/zinc/12/53/74/564125374.db2.gz DGVSXJGBJQSTGY-UHFFFAOYSA-N 0 0 348.475 5.126 50 0 EKAARN CCOc1ccc(-c2cc(-c3ccccc3)cc(C(C)(C)C)n2)cc1 ZINC000002266392 564125393 /nfs/dbraw/zinc/12/53/93/564125393.db2.gz BVNITNPGVYMDFK-UHFFFAOYSA-N 0 0 331.459 6.112 50 0 EKAARN Cc1ccccc1Oc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000002266400 209834909 /nfs/dbraw/zinc/83/49/09/209834909.db2.gz IXYYWGBICRGQFL-UHFFFAOYSA-N 0 0 346.817 6.051 50 0 EKAARN Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc32)c(C)c1 ZINC000002266471 201529091 /nfs/dbraw/zinc/52/90/91/201529091.db2.gz VGDXSCKJQOPRMD-UHFFFAOYSA-N 0 0 325.415 5.657 50 0 EKAARN Fc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002266554 564125388 /nfs/dbraw/zinc/12/53/88/564125388.db2.gz ONKHPMLXPWZQPD-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN CC(C)Oc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002266631 563428103 /nfs/dbraw/zinc/42/81/03/563428103.db2.gz QYBGBOVBJXRVSW-UHFFFAOYSA-N 0 0 333.218 5.391 50 0 EKAARN CC(C)(C)c1cc(-c2ccccc2)cc(-c2cc(Cl)ccc2O)n1 ZINC000002266637 564125382 /nfs/dbraw/zinc/12/53/82/564125382.db2.gz IRFXVKDPSDBIPN-UHFFFAOYSA-N 0 0 337.850 6.072 50 0 EKAARN Cc1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002266691 564125394 /nfs/dbraw/zinc/12/53/94/564125394.db2.gz WIZKVKWFRUSHNR-UHFFFAOYSA-N 0 0 346.817 6.051 50 0 EKAARN Fc1ccccc1Nc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002266735 564125369 /nfs/dbraw/zinc/12/53/69/564125369.db2.gz XZCSAXLAGZYRBC-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002266799 564125385 /nfs/dbraw/zinc/12/53/85/564125385.db2.gz VJFMIFZGIYOCAA-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN CCOc1ccc(C2=C[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000002267093 563428086 /nfs/dbraw/zinc/42/80/86/563428086.db2.gz UIWRHHVNLHCHEW-QFIPXVFZSA-N 0 0 342.438 5.959 50 0 EKAARN CCOc1ccc(C2=C[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000002267094 201528509 /nfs/dbraw/zinc/52/85/09/201528509.db2.gz UIWRHHVNLHCHEW-JOCHJYFZSA-N 0 0 342.438 5.959 50 0 EKAARN CCN(CC)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002267192 564125381 /nfs/dbraw/zinc/12/53/81/564125381.db2.gz WHBRMUWCADWZCT-UHFFFAOYSA-N 0 0 346.261 5.450 50 0 EKAARN CC1CCN(c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000002267386 564125398 /nfs/dbraw/zinc/12/53/98/564125398.db2.gz SULKXGJPXVUAQH-UHFFFAOYSA-N 0 0 337.854 5.187 50 0 EKAARN Fc1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000002267412 209835876 /nfs/dbraw/zinc/83/58/76/209835876.db2.gz LSJUXBTWCRMUHH-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN Clc1ccccc1-c1nc2ccccc2c(NCc2ccccc2)n1 ZINC000002267532 563428037 /nfs/dbraw/zinc/42/80/37/563428037.db2.gz PHKSBMSQMKULOV-UHFFFAOYSA-N 0 0 345.833 5.562 50 0 EKAARN Clc1ccccc1-c1nc2ccccc2c(N2CCCCCC2)n1 ZINC000002267545 564125377 /nfs/dbraw/zinc/12/53/77/564125377.db2.gz UKRJRKQFSNZWKY-UHFFFAOYSA-N 0 0 337.854 5.331 50 0 EKAARN Clc1ccccc1-c1nc2ccccc2c(NC2CCCCC2)n1 ZINC000002267546 564125386 /nfs/dbraw/zinc/12/53/86/564125386.db2.gz KNVJCXHNKNUCGD-UHFFFAOYSA-N 0 0 337.854 5.695 50 0 EKAARN Cc1ccc(-c2ccc(Cc3ccc(-c4ccc(C)cc4)o3)o2)cc1 ZINC000002267564 564125375 /nfs/dbraw/zinc/12/53/75/564125375.db2.gz DQXCOTWTWOTCIR-UHFFFAOYSA-N 0 0 328.411 6.414 50 0 EKAARN Cc1ccc(C)c(Nc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000002267598 563428057 /nfs/dbraw/zinc/42/80/57/563428057.db2.gz JKNCOSKWGCKFMN-UHFFFAOYSA-N 0 0 325.415 5.657 50 0 EKAARN O=c1oc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002267861 563428110 /nfs/dbraw/zinc/42/81/10/563428110.db2.gz PZLQYODZDXWPSJ-UHFFFAOYSA-N 0 0 343.426 5.127 50 0 EKAARN CC(C)Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002268138 209834891 /nfs/dbraw/zinc/83/48/91/209834891.db2.gz TWQIZIGQORPFOT-UHFFFAOYSA-N 0 0 332.234 5.424 50 0 EKAARN Clc1ccc(-c2nc3ccccc3c(Oc3ccccc3)n2)cc1 ZINC000002268206 564125390 /nfs/dbraw/zinc/12/53/90/564125390.db2.gz CMVHTIFXAWOASF-UHFFFAOYSA-N 0 0 332.790 5.743 50 0 EKAARN Clc1ccccc1-c1nc2ccccc2c(OCc2ccccc2)n1 ZINC000002268207 564125384 /nfs/dbraw/zinc/12/53/84/564125384.db2.gz HMEDVWRVHBOJEF-UHFFFAOYSA-N 0 0 346.817 5.529 50 0 EKAARN Fc1ccccc1Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000002268228 564125370 /nfs/dbraw/zinc/12/53/70/564125370.db2.gz VCHQVHHBXVXSNE-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002268286 564125367 /nfs/dbraw/zinc/12/53/67/564125367.db2.gz JFSOZAYHSWZBPD-UHFFFAOYSA-N 0 0 333.218 5.391 50 0 EKAARN CC(C)Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002268290 563428077 /nfs/dbraw/zinc/42/80/77/563428077.db2.gz LFDBHKLCQHKAFX-UHFFFAOYSA-N 0 0 332.234 5.424 50 0 EKAARN CCOc1ccc(-c2cc(C)nc(-c3ccc(OCC)cc3)c2)cc1 ZINC000002268764 563428134 /nfs/dbraw/zinc/42/81/34/563428134.db2.gz LZUFZSCKWIYHIV-UHFFFAOYSA-N 0 0 333.431 5.521 50 0 EKAARN CCCCCCOc1ccc(-c2ncc(CCCCC)cn2)cc1 ZINC000002268772 209835271 /nfs/dbraw/zinc/83/52/71/209835271.db2.gz APIIIRNRDQSKDJ-UHFFFAOYSA-N 0 0 326.484 5.835 50 0 EKAARN Clc1ccccc1-c1nc2ccccc2c(Oc2ccccc2)n1 ZINC000002269421 564125387 /nfs/dbraw/zinc/12/53/87/564125387.db2.gz FOYCFBWTQBFOQG-UHFFFAOYSA-N 0 0 332.790 5.743 50 0 EKAARN Fc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000002269992 564125412 /nfs/dbraw/zinc/12/54/12/564125412.db2.gz DOYCFFPNGFULMF-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN Cc1ccc(Oc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000002269995 564125401 /nfs/dbraw/zinc/12/54/01/564125401.db2.gz RCUOVTYYNMAZGO-UHFFFAOYSA-N 0 0 346.817 6.051 50 0 EKAARN O=C(COc1ccc(Cl)cc1)n1c2ccccc2c2ccccc21 ZINC000002270151 201529054 /nfs/dbraw/zinc/52/90/54/201529054.db2.gz OBQSBMILQAITFI-UHFFFAOYSA-N 0 0 335.790 5.167 50 0 EKAARN CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3ccccc3O)nc21 ZINC000002270998 564125420 /nfs/dbraw/zinc/12/54/20/564125420.db2.gz LAKXCHLPUCRTFR-UHFFFAOYSA-N 0 0 339.435 5.501 50 0 EKAARN CC(C)(C)c1cc(COC(=O)c2ccccc2)cc(C(C)(C)C)c1O ZINC000002271146 564125421 /nfs/dbraw/zinc/12/54/21/564125421.db2.gz OJKIPQNNTNLVTA-UHFFFAOYSA-N 0 0 340.463 5.344 50 0 EKAARN C(=C/Sc1ccc2ccccc2n1)\Sc1ccc2ccccc2n1 ZINC000002271722 563428344 /nfs/dbraw/zinc/42/83/44/563428344.db2.gz 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/nfs/dbraw/zinc/84/34/20/209843420.db2.gz LTZNKXAPJRUCOK-PMACEKPBSA-N 0 0 339.797 5.709 50 0 EKAARN Fc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc1 ZINC000002347633 209842959 /nfs/dbraw/zinc/84/29/59/209842959.db2.gz LTZNKXAPJRUCOK-UXHICEINSA-N 0 0 339.797 5.709 50 0 EKAARN Clc1cc(Cl)c2c(c1)Sc1cc(Cl)cc(Cl)c1N2 ZINC000002350561 209842834 /nfs/dbraw/zinc/84/28/34/209842834.db2.gz XGUBQXUXCYINAQ-UHFFFAOYSA-N 0 0 337.058 6.508 50 0 EKAARN CCCC[C@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000002350935 209843427 /nfs/dbraw/zinc/84/34/27/209843427.db2.gz PCESVUMMJXHDBT-IFXJQAMLSA-N 0 0 344.480 5.164 50 0 EKAARN CCCC[C@@H]1C[C@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000002350938 564132652 /nfs/dbraw/zinc/13/26/52/564132652.db2.gz PCESVUMMJXHDBT-AUUYWEPGSA-N 0 0 344.480 5.164 50 0 EKAARN CCCC[C@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000002350939 564132654 /nfs/dbraw/zinc/13/26/54/564132654.db2.gz PCESVUMMJXHDBT-LIRRHRJNSA-N 0 0 344.480 5.164 50 0 EKAARN CCCC[C@@H]1C[C@@](C)(c2csc(Nc3ccc(C)cc3)n2)OC1=O ZINC000002350941 209842437 /nfs/dbraw/zinc/84/24/37/209842437.db2.gz PCESVUMMJXHDBT-KUHUBIRLSA-N 0 0 344.480 5.164 50 0 EKAARN Cc1cccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)c1 ZINC000002352446 564133068 /nfs/dbraw/zinc/13/30/68/564133068.db2.gz FIAITAXHUPNJQA-UHFFFAOYSA-N 0 0 344.845 6.373 50 0 EKAARN Cc1nc2c3cc(Cl)ccc3n(CCc3ccccc3)c2s1 ZINC000002353072 564133430 /nfs/dbraw/zinc/13/34/30/564133430.db2.gz NTNVWDQVDNHTMP-UHFFFAOYSA-N 0 0 326.852 5.456 50 0 EKAARN CCOc1ccc(C2=C[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002354522 563430183 /nfs/dbraw/zinc/43/01/83/563430183.db2.gz FLVDLFRBEXZVBB-NRFANRHFSA-N 0 0 346.401 5.790 50 0 EKAARN CCOc1ccc(C2=C[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002354524 209842598 /nfs/dbraw/zinc/84/25/98/209842598.db2.gz FLVDLFRBEXZVBB-OAQYLSRUSA-N 0 0 346.401 5.790 50 0 EKAARN CC(C)(C)c1cc(NC2CCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000002355300 209843303 /nfs/dbraw/zinc/84/33/03/209843303.db2.gz 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CC(C)[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000002364072 563430445 /nfs/dbraw/zinc/43/04/45/563430445.db2.gz RKQVLSXYNUKQHI-VGSWGCGISA-N 0 0 335.491 5.182 50 0 EKAARN CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000002364074 209843877 /nfs/dbraw/zinc/84/38/77/209843877.db2.gz RKQVLSXYNUKQHI-VGOFRKELSA-N 0 0 335.491 5.182 50 0 EKAARN CC(C)(C)c1cc(Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 ZINC000002364122 564133753 /nfs/dbraw/zinc/13/37/53/564133753.db2.gz OMNXTBOMVIDRAS-UHFFFAOYSA-N 0 0 342.446 5.437 50 0 EKAARN CCCSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002366402 564133778 /nfs/dbraw/zinc/13/37/78/564133778.db2.gz ICYGRVNHZJMQSN-UHFFFAOYSA-N 0 0 340.517 5.739 50 0 EKAARN CCc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000002369262 563563403 /nfs/dbraw/zinc/56/34/03/563563403.db2.gz CHJGMVDZFNGHKB-UHFFFAOYSA-N 0 0 343.857 6.785 50 0 EKAARN Cc1ccc(-c2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000002369683 563430449 /nfs/dbraw/zinc/43/04/49/563430449.db2.gz 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CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(C)c(C)c1)N2 ZINC000002395678 563431676 /nfs/dbraw/zinc/43/16/76/563431676.db2.gz PTDUWZXUGDPLRH-UHFFFAOYSA-N 0 0 345.556 5.237 50 0 EKAARN Cc1ccc(C)c(CSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000002397735 209847674 /nfs/dbraw/zinc/84/76/74/209847674.db2.gz JTBWXFKPFGIWQN-UHFFFAOYSA-N 0 0 340.517 5.479 50 0 EKAARN CC[C@@](C)(CCNC(=O)C[C@@H](c1ccco1)C(C)C)c1ccccc1 ZINC000002397906 564134511 /nfs/dbraw/zinc/13/45/11/564134511.db2.gz IGOWIPYHANCEJJ-KNQAVFIVSA-N 0 0 341.495 5.284 50 0 EKAARN CC[C@](C)(CCNC(=O)C[C@@H](c1ccco1)C(C)C)c1ccccc1 ZINC000002397907 564134532 /nfs/dbraw/zinc/13/45/32/564134532.db2.gz IGOWIPYHANCEJJ-DENIHFKCSA-N 0 0 341.495 5.284 50 0 EKAARN CC[C@](C)(CCNC(=O)C[C@H](c1ccco1)C(C)C)c1ccccc1 ZINC000002397909 209847728 /nfs/dbraw/zinc/84/77/28/209847728.db2.gz IGOWIPYHANCEJJ-SIKLNZKXSA-N 0 0 341.495 5.284 50 0 EKAARN Cc1nn2c(nc(C(C)(C)C)cc2NC2CCCC2)c1-c1ccccc1 ZINC000002398932 564134526 /nfs/dbraw/zinc/13/45/26/564134526.db2.gz 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/nfs/dbraw/zinc/43/20/18/563432018.db2.gz VBBDQJJUTBHVHA-UHFFFAOYSA-N 0 0 336.826 5.100 50 0 EKAARN Cc1nn2c(nc(C(C)C)cc2N2CCC(C)CC2)c1-c1ccccc1 ZINC000002431648 564135067 /nfs/dbraw/zinc/13/50/67/564135067.db2.gz AEVAZWMOGIGEHM-UHFFFAOYSA-N 0 0 348.494 5.064 50 0 EKAARN CCc1ccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000002436760 564135124 /nfs/dbraw/zinc/13/51/24/564135124.db2.gz LYZAWQOOEMUJCM-QHCPKHFHSA-N 0 0 339.442 5.412 50 0 EKAARN CCc1ccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000002436763 564135146 /nfs/dbraw/zinc/13/51/46/564135146.db2.gz LYZAWQOOEMUJCM-HSZRJFAPSA-N 0 0 339.442 5.412 50 0 EKAARN CCCc1cc(NC2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002437158 564135175 /nfs/dbraw/zinc/13/51/75/564135175.db2.gz NAZYDBBASHIVDR-UHFFFAOYSA-N 0 0 348.494 5.402 50 0 EKAARN CC(C)Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000002437366 563432059 /nfs/dbraw/zinc/43/20/59/563432059.db2.gz OYAUUIOCJKCSGA-UHFFFAOYSA-N 0 0 342.874 5.168 50 0 EKAARN Cc1nn2c(nc(C)cc2Nc2ccc(C)cc2)c1-c1ccccc1 ZINC000002437722 209850553 /nfs/dbraw/zinc/85/05/53/209850553.db2.gz RLBLQOUAFUJGRV-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2C)cc1C ZINC000002437842 201532259 /nfs/dbraw/zinc/53/22/59/201532259.db2.gz AGRNQZLOWFWEDV-UHFFFAOYSA-N 0 0 343.883 5.045 50 0 EKAARN CC(C)=CCC/C(C)=C/COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002438302 564135171 /nfs/dbraw/zinc/13/51/71/564135171.db2.gz XYLYAWLNQVWPAO-RIYZIHGNSA-N 0 0 346.854 5.826 50 0 EKAARN Cc1nc2c3cc(Cl)ccc3n(Cc3ccccc3F)c2s1 ZINC000002438965 564135169 /nfs/dbraw/zinc/13/51/69/564135169.db2.gz DPZKYSLJENQYMZ-UHFFFAOYSA-N 0 0 330.815 5.400 50 0 EKAARN Cc1cccc(-c2nnc(SCc3cccc4ccccc43)n2C)c1 ZINC000002439679 563432488 /nfs/dbraw/zinc/43/24/88/563432488.db2.gz HSAXDCVTTAOPIA-UHFFFAOYSA-N 0 0 345.471 5.236 50 0 EKAARN CCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 ZINC000002440918 563432411 /nfs/dbraw/zinc/43/24/11/563432411.db2.gz RTAOLQSALCCTFY-UHFFFAOYSA-N 0 0 336.826 5.100 50 0 EKAARN Cc1cc(Nc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002441034 564135241 /nfs/dbraw/zinc/13/52/41/564135241.db2.gz KBVIEHLVTUBFPM-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(C2CCCCC2)n1 ZINC000002441399 564135226 /nfs/dbraw/zinc/13/52/26/564135226.db2.gz ULVDBGXOEHCTLJ-UHFFFAOYSA-N 0 0 349.434 5.245 50 0 EKAARN CC(C)(C)c1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000002441743 564135230 /nfs/dbraw/zinc/13/52/30/564135230.db2.gz RYHGBLYKZZAZOY-UHFFFAOYSA-N 0 0 348.494 5.438 50 0 EKAARN c1ccc(-c2nc3ccccc3c(Oc3ccc4ccccc4c3)n2)nc1 ZINC000002442430 209849937 /nfs/dbraw/zinc/84/99/37/209849937.db2.gz OGAOZDQMGKXTII-UHFFFAOYSA-N 0 0 349.393 5.637 50 0 EKAARN Cc1nn2c(nc(C(C)C)cc2NC2CCCC2)c1-c1ccccc1 ZINC000002442527 563576365 /nfs/dbraw/zinc/57/63/65/563576365.db2.gz WUOWNTFXLCUMNU-UHFFFAOYSA-N 0 0 334.467 5.183 50 0 EKAARN Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccco2)cc1 ZINC000002443496 563432422 /nfs/dbraw/zinc/43/24/22/563432422.db2.gz VXXUHMYRHSPOBG-UHFFFAOYSA-N 0 0 347.443 5.128 50 0 EKAARN Cc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000002444768 563432465 /nfs/dbraw/zinc/43/24/65/563432465.db2.gz VLAQEKFXZNQJCQ-UHFFFAOYSA-N 0 0 336.431 5.082 50 0 EKAARN CCC(=O)Nc1ccc2nc(SCc3ccccc3F)sc2c1 ZINC000002447067 564135258 /nfs/dbraw/zinc/13/52/58/564135258.db2.gz MMRBJWLEBZDFOI-UHFFFAOYSA-N 0 0 346.452 5.076 50 0 EKAARN CCCCCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000002447885 564135303 /nfs/dbraw/zinc/13/53/03/564135303.db2.gz VZGCLTLQWPDZEX-UHFFFAOYSA-N 0 0 342.508 5.321 50 0 EKAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1Cl ZINC000002448867 563432502 /nfs/dbraw/zinc/43/25/02/563432502.db2.gz FVTPJTVBPLRGDE-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CCn1c(SCc2ccccc2F)nnc1-c1cccc(Cl)c1 ZINC000002450289 564135618 /nfs/dbraw/zinc/13/56/18/564135618.db2.gz RMJUBPNQEZUVMG-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1Cl ZINC000002450574 209852224 /nfs/dbraw/zinc/85/22/24/209852224.db2.gz GEHSELUWKOYBBG-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1cccnc1 ZINC000002451706 563432648 /nfs/dbraw/zinc/43/26/48/563432648.db2.gz LTYFHISWXIVMKT-GOSISDBHSA-N 0 0 348.383 5.235 50 0 EKAARN Cc1nc2sc3c(c2c(Oc2cccc4ccccc42)n1)CCCC3 ZINC000002452082 563432734 /nfs/dbraw/zinc/43/27/34/563432734.db2.gz KZQRHWYOSALHCR-UHFFFAOYSA-N 0 0 346.455 5.824 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@H]3CCCC[C@H]3C)n2)cc1 ZINC000002452330 209852121 /nfs/dbraw/zinc/85/21/21/209852121.db2.gz SRKBQEFOAYZBCN-APWZRJJASA-N 0 0 331.463 5.596 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@@H]3CCCC[C@H]3C)n2)cc1 ZINC000002452331 564135795 /nfs/dbraw/zinc/13/57/95/564135795.db2.gz SRKBQEFOAYZBCN-VQIMIIECSA-N 0 0 331.463 5.596 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@H]3CCCC[C@@H]3C)n2)cc1 ZINC000002452333 564135796 /nfs/dbraw/zinc/13/57/96/564135796.db2.gz SRKBQEFOAYZBCN-LPHOPBHVSA-N 0 0 331.463 5.596 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(N[C@@H]3CCCC[C@@H]3C)n2)cc1 ZINC000002452334 209851985 /nfs/dbraw/zinc/85/19/85/209851985.db2.gz 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/nfs/dbraw/zinc/00/21/59/564002159.db2.gz ZHRZTKYGWQCWIK-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN Cc1ccc(Nc2c(-c3ccncc3)nc3ccc(Cl)cn32)cc1 ZINC000002468954 563974707 /nfs/dbraw/zinc/97/47/07/563974707.db2.gz WLALDBVOSWZIAC-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN O=C1CCCC[C@@H]1[C@@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 ZINC000002469380 563917952 /nfs/dbraw/zinc/91/79/52/563917952.db2.gz SBGHKGVVQISYCE-UGKGYDQZSA-N 0 0 348.421 5.286 50 0 EKAARN CN(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000002471802 563433206 /nfs/dbraw/zinc/43/32/06/563433206.db2.gz MJYVWFIHMQQOLI-UHFFFAOYSA-N 0 0 332.428 5.546 50 0 EKAARN Cc1sc(Nc2cc(C)ccc2C)nc1-c1ccc(Cl)cc1 ZINC000002472133 563433223 /nfs/dbraw/zinc/43/32/23/563433223.db2.gz KCWTXLGONINBEM-UHFFFAOYSA-N 0 0 328.868 6.132 50 0 EKAARN CCCOc1cc2oc(C)c(Oc3ccccc3)c(=O)c2cc1CC ZINC000002476067 564149728 /nfs/dbraw/zinc/14/97/28/564149728.db2.gz ZYNRPYYGBFGHHU-UHFFFAOYSA-N 0 0 338.403 5.245 50 0 EKAARN CC1(C)C[C@H](c2ccc(Cl)cc2Cl)OC(c2ccccc2)=N1 ZINC000002478847 209856763 /nfs/dbraw/zinc/85/67/63/209856763.db2.gz PRNVJHAXVBAHGG-MRXNPFEDSA-N 0 0 334.246 5.680 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(Nc3cc(F)ccc3C)n2)cc1 ZINC000002479292 564149734 /nfs/dbraw/zinc/14/97/34/564149734.db2.gz PCSBXJHZYXWQLX-UHFFFAOYSA-N 0 0 343.405 5.796 50 0 EKAARN CCCC1CCC(c2ccc(-c3nc(-c4ccncc4)no3)cc2)CC1 ZINC000002479385 209855932 /nfs/dbraw/zinc/85/59/32/209855932.db2.gz VXHKOOHPZMAOMU-UHFFFAOYSA-N 0 0 347.462 5.873 50 0 EKAARN CCCc1noc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)n1 ZINC000002479453 564149756 /nfs/dbraw/zinc/14/97/56/564149756.db2.gz CEDDYHAHLGSEMX-UHFFFAOYSA-N 0 0 349.821 5.558 50 0 EKAARN Cc1cc(Cl)ccc1Nc1nc(C)nc2sc3c(c21)CCCC3 ZINC000002479458 564149752 /nfs/dbraw/zinc/14/97/52/564149752.db2.gz GGUTWZZCNPSZNX-UHFFFAOYSA-N 0 0 343.883 5.584 50 0 EKAARN CCCCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000002479741 563433410 /nfs/dbraw/zinc/43/34/10/563433410.db2.gz WRNNOHFASCUUQX-UHFFFAOYSA-N 0 0 343.470 5.800 50 0 EKAARN CCCCCC1COC(c2ccc(-c3ccc(C)c(N)c3)o2)OC1 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564150040 /nfs/dbraw/zinc/15/00/40/564150040.db2.gz PWMFHAWIBGYJCY-KGENOOAVSA-N 0 0 345.829 5.494 50 0 EKAARN CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1 ZINC000002504743 209859019 /nfs/dbraw/zinc/85/90/19/209859019.db2.gz PVFQHGDIOXNKIC-UHFFFAOYSA-N 0 0 346.470 5.750 50 0 EKAARN Cc1cccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000002505841 563434951 /nfs/dbraw/zinc/43/49/51/563434951.db2.gz CIGOGWCBUXBRCM-ZDUSSCGKSA-N 0 0 342.508 5.042 50 0 EKAARN O=C(CCNc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 ZINC000002510375 209860948 /nfs/dbraw/zinc/86/09/48/209860948.db2.gz COGNYSHDDUWIPU-UHFFFAOYSA-N 0 0 344.241 5.832 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 ZINC000002510518 563584604 /nfs/dbraw/zinc/58/46/04/563584604.db2.gz QKKRBFJDWCHVEY-UHFFFAOYSA-N 0 0 333.353 5.156 50 0 EKAARN CC(C)(C)c1cc(N2Nc3ccccc3N2)c(O)c(C(C)(C)C)c1 ZINC000002512293 209860187 /nfs/dbraw/zinc/86/01/87/209860187.db2.gz DISILMJZTGTMSG-UHFFFAOYSA-N 0 0 325.456 5.161 50 0 EKAARN 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CSc1ccc(CCC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000002516680 563437274 /nfs/dbraw/zinc/43/72/74/563437274.db2.gz UKDAQUSRJCKQBN-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN CSc1ccc(CCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000002516681 563437263 /nfs/dbraw/zinc/43/72/63/563437263.db2.gz WXOZWCWJLXERML-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN CSc1ccc(CCC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002516682 563437260 /nfs/dbraw/zinc/43/72/60/563437260.db2.gz OODNHEFJGPHFIX-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN CSc1ccc(CCC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000002516683 563437325 /nfs/dbraw/zinc/43/73/25/563437325.db2.gz VBBABOBQUZOVDD-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN O=C(CCc1cccc(Br)c1)c1ccc(Cl)c(F)c1 ZINC000002516720 563437267 /nfs/dbraw/zinc/43/72/67/563437267.db2.gz TVUPZLKYSDZDAJ-UHFFFAOYSA-N 0 0 341.607 5.057 50 0 EKAARN O=C(CCc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000002516721 563437320 /nfs/dbraw/zinc/43/73/20/563437320.db2.gz FVYYNBGXRAFGPU-UHFFFAOYSA-N 0 0 341.607 5.057 50 0 EKAARN 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O=C(CCc1cccc(Cl)c1)c1ccc(Br)cc1F ZINC000002517247 209862652 /nfs/dbraw/zinc/86/26/52/209862652.db2.gz RBQRRYMRGPJKFY-UHFFFAOYSA-N 0 0 341.607 5.057 50 0 EKAARN O=C(CCc1ccc(Cl)cc1)c1ccc(Br)c(F)c1 ZINC000002517290 209862447 /nfs/dbraw/zinc/86/24/47/209862447.db2.gz GVZPDKBDYAHRDO-UHFFFAOYSA-N 0 0 341.607 5.057 50 0 EKAARN O=C(CCc1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000002517298 563437691 /nfs/dbraw/zinc/43/76/91/563437691.db2.gz AYOVSLWXJBJHEG-UHFFFAOYSA-N 0 0 341.607 5.057 50 0 EKAARN Cc1cccc(CCC(=O)c2ccc(Br)c(F)c2)c1C ZINC000002517446 563437730 /nfs/dbraw/zinc/43/77/30/563437730.db2.gz KSWLLTHFDMKKGP-UHFFFAOYSA-N 0 0 335.216 5.021 50 0 EKAARN Cc1cccc(CCC(=O)c2ccc(Br)cc2F)c1C ZINC000002517454 563437709 /nfs/dbraw/zinc/43/77/09/563437709.db2.gz BFPSFUKDICOOOJ-UHFFFAOYSA-N 0 0 335.216 5.021 50 0 EKAARN Cc1ccc(CCC(=O)c2ccc(Br)c(F)c2)c(C)c1 ZINC000002517498 201534250 /nfs/dbraw/zinc/53/42/50/201534250.db2.gz VZXKFPUXOWSFDM-UHFFFAOYSA-N 0 0 335.216 5.021 50 0 EKAARN 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CCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000002518092 563437950 /nfs/dbraw/zinc/43/79/50/563437950.db2.gz JJWGZJGZKSUOCJ-UHFFFAOYSA-N 0 0 332.484 5.171 50 0 EKAARN CCCCCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 ZINC000002518093 563438019 /nfs/dbraw/zinc/43/80/19/563438019.db2.gz AUKFLZYTUKXDEJ-UHFFFAOYSA-N 0 0 346.511 5.562 50 0 EKAARN CCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000002518096 563437998 /nfs/dbraw/zinc/43/79/98/563437998.db2.gz ISNMWMYSMHCGEZ-UHFFFAOYSA-N 0 0 332.484 5.171 50 0 EKAARN CCCCCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000002518097 209861637 /nfs/dbraw/zinc/86/16/37/209861637.db2.gz OLEIAVHEZNDACV-UHFFFAOYSA-N 0 0 346.511 5.562 50 0 EKAARN CC(C)(C)c1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 ZINC000002518102 563437967 /nfs/dbraw/zinc/43/79/67/563437967.db2.gz RGVQNINKLZTDLX-UHFFFAOYSA-N 0 0 332.484 5.126 50 0 EKAARN CC1(C)COC(CCCC(=O)c2ccccc2-c2ccccc2)OC1 ZINC000002518134 209861665 /nfs/dbraw/zinc/86/16/65/209861665.db2.gz ULUCWRVAIQSFEA-UHFFFAOYSA-N 0 0 338.447 5.106 50 0 EKAARN 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Cc1cc2occ(-c3ccc(Cl)cc3Cl)c(=O)c2cc1Cl ZINC000002529827 563439688 /nfs/dbraw/zinc/43/96/88/563439688.db2.gz NNGPZRMQCJBQNU-UHFFFAOYSA-N 0 0 339.605 5.729 50 0 EKAARN CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc21 ZINC000002529828 563439715 /nfs/dbraw/zinc/43/97/15/563439715.db2.gz SOVNCTNQAWWYAQ-OQLLNIDSSA-N 0 0 338.403 5.611 50 0 endogenous,in-man EKAARN Cc1cc2oc(=O)c(-c3ccccc3Cl)c(C)c2c(C)c1Cl ZINC000002529949 563439699 /nfs/dbraw/zinc/43/96/99/563439699.db2.gz NOMYGRLXORLJRQ-UHFFFAOYSA-N 0 0 333.214 5.692 50 0 EKAARN Cc1cc2oc(=O)c(-c3cccc(Cl)c3)c(C)c2c(C)c1Cl ZINC000002529950 563439706 /nfs/dbraw/zinc/43/97/06/563439706.db2.gz ZLQCDUOXNWPDTM-UHFFFAOYSA-N 0 0 333.214 5.692 50 0 EKAARN CCCCc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000002530997 564150463 /nfs/dbraw/zinc/15/04/63/564150463.db2.gz ZZGAXYWBHVBCMZ-UHFFFAOYSA-N 0 0 333.884 5.413 50 0 EKAARN O=C(CCSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000002531679 564150460 /nfs/dbraw/zinc/15/04/60/564150460.db2.gz XNXRESHNSZWYGH-UHFFFAOYSA-N 0 0 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50 0 EKAARN O=Cc1c2cc(Br)ccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002534050 258049899 /nfs/dbraw/zinc/04/98/99/258049899.db2.gz KTKMCAIGSAFLPQ-UHFFFAOYSA-N 0 0 334.600 5.063 50 0 EKAARN CCCCc1ccc(-n2c(=O)c3ccccc3nc2C(C)(C)C)cc1 ZINC000002534616 201535015 /nfs/dbraw/zinc/53/50/15/201535015.db2.gz MRVNJUMAZDEEMH-UHFFFAOYSA-N 0 0 334.463 5.026 50 0 EKAARN COc1ccc(C=O)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000002536943 258049948 /nfs/dbraw/zinc/04/99/48/258049948.db2.gz ZJPHSBBJXYYGIA-UHFFFAOYSA-N 0 0 345.609 5.047 50 0 EKAARN O=C(CCNc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000002541830 563440262 /nfs/dbraw/zinc/44/02/62/563440262.db2.gz ZPVWQUKSKGDUCZ-UHFFFAOYSA-N 0 0 348.151 5.096 50 0 EKAARN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccco1 ZINC000002542412 564117910 /nfs/dbraw/zinc/11/79/10/564117910.db2.gz VLWJWVLYSMBFKN-UHFFFAOYSA-N 0 0 335.432 5.004 50 0 EKAARN Cc1ccc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2n1 ZINC000002543405 563440269 /nfs/dbraw/zinc/44/02/69/563440269.db2.gz OICLAXMNSFOECT-UHFFFAOYSA-N 0 0 338.716 5.403 50 0 EKAARN CC1(C)Cc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2O1 ZINC000002543587 209865766 /nfs/dbraw/zinc/86/57/66/209865766.db2.gz YGUITWIFQMYRGT-UHFFFAOYSA-N 0 0 343.732 5.260 50 0 EKAARN FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1 ZINC000002545358 209865582 /nfs/dbraw/zinc/86/55/82/209865582.db2.gz DXALAFAFIXJDOS-UHFFFAOYSA-N 0 0 344.052 5.035 50 0 EKAARN c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1 ZINC000002545806 563440433 /nfs/dbraw/zinc/44/04/33/563440433.db2.gz CMAUJSNXENPPOF-UHFFFAOYSA-N 0 0 346.565 6.271 50 0 EKAARN O=C1OC(c2ccccc2)(c2ccccc2)C(Cl)=C1c1ccccc1 ZINC000002546502 201535403 /nfs/dbraw/zinc/53/54/03/201535403.db2.gz BFBDIPDGRLAZDF-UHFFFAOYSA-N 0 0 346.813 5.137 50 0 EKAARN O=C(/C=C/c1cc(C(F)(F)F)ccc1F)Nc1ccc(Cl)cc1 ZINC000002546568 563440466 /nfs/dbraw/zinc/44/04/66/563440466.db2.gz YBSVRMKGXXIHTB-UNXLUWIOSA-N 0 0 343.707 5.150 50 0 EKAARN Cc1sc(Nc2ccccc2Br)nc1-c1ccccc1 ZINC000002546747 563440428 /nfs/dbraw/zinc/44/04/28/563440428.db2.gz AWUYJMOYRBVIAI-UHFFFAOYSA-N 0 0 345.265 5.625 50 0 EKAARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1C ZINC000002549311 563586698 /nfs/dbraw/zinc/58/66/98/563586698.db2.gz LFRFHIIOBORXGD-RVDMUPIBSA-N 0 0 327.427 5.622 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCc1ccc(Cl)cc1 ZINC000002549314 563586829 /nfs/dbraw/zinc/58/68/29/563586829.db2.gz GNRVPDUWXDJVNJ-XNTDXEJSSA-N 0 0 347.845 5.337 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1 ZINC000002549315 563586640 /nfs/dbraw/zinc/58/66/40/563586640.db2.gz KLZCBMQXAOTSSC-MDWZMJQESA-N 0 0 335.353 5.284 50 0 EKAARN Cc1ccc(-c2nn(-c3ccccc3)c3c2C(=O)c2ccccc2-3)cc1 ZINC000002549735 201534875 /nfs/dbraw/zinc/53/48/75/201534875.db2.gz QNWYOLGAFPJQCK-UHFFFAOYSA-N 0 0 336.394 5.059 50 0 EKAARN CCOC(=O)c1cc(-c2ccc(Cl)c(C)c2)[nH]c1-c1ccccc1 ZINC000002549950 563440572 /nfs/dbraw/zinc/44/05/72/563440572.db2.gz GVAMBIKVSHQFKW-UHFFFAOYSA-N 0 0 339.822 5.487 50 0 EKAARN COc1ccc(-c2nc(-c3cc(C)ccc3C)cs2)cc1OC ZINC000002550225 209866147 /nfs/dbraw/zinc/86/61/47/209866147.db2.gz YZFOGDYNBLEOTO-UHFFFAOYSA-N 0 0 325.433 5.111 50 0 EKAARN O=C(Nc1cnc2ccccc2c1)N(c1ccccc1)c1ccccc1 ZINC000002550693 563440969 /nfs/dbraw/zinc/44/09/69/563440969.db2.gz KOIYDKQTUUDHRR-UHFFFAOYSA-N 0 0 339.398 5.605 50 0 EKAARN Cc1ccc(C(=O)C[C@@H](SCc2ccco2)c2cccs2)cc1 ZINC000002551453 564150713 /nfs/dbraw/zinc/15/07/13/564150713.db2.gz AYBIGZADJWYZJH-LJQANCHMSA-N 0 0 342.485 5.897 50 0 EKAARN O=c1oc2cc(OCc3ccccc3)ccc2cc1-c1ccc(F)cc1 ZINC000002552159 563440956 /nfs/dbraw/zinc/44/09/56/563440956.db2.gz HVLJJAXHSXSKIH-UHFFFAOYSA-N 0 0 346.357 5.178 50 0 EKAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000002552542 563440972 /nfs/dbraw/zinc/44/09/72/563440972.db2.gz SSSGJHLVROVTDO-ZWNOBZJWSA-N 0 0 338.234 5.281 50 0 EKAARN Cc1ccc(Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002553780 563918044 /nfs/dbraw/zinc/91/80/44/563918044.db2.gz SXJVABHMRHEPRS-UHFFFAOYSA-N 0 0 338.414 5.258 50 0 EKAARN c1cc(P(C2CCCCC2)C2CCCCC2)n(-c2ccccc2)c1 ZINC000002553987 563440975 /nfs/dbraw/zinc/44/09/75/563440975.db2.gz RVFZOTGUPNHVRA-UHFFFAOYSA-N 0 0 339.463 6.250 50 0 EKAARN CC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)cc1 ZINC000002556770 201535520 /nfs/dbraw/zinc/53/55/20/201535520.db2.gz HESXPOICBNWMPI-UHFFFAOYSA-N 0 0 344.502 5.503 50 0 EKAARN CC(C)(c1ccc(O)cc1)c1ccc(C(C)(C)c2ccc(O)cc2)cc1 ZINC000002556771 563440900 /nfs/dbraw/zinc/44/09/00/563440900.db2.gz GIXXQTYGFOHYPT-UHFFFAOYSA-N 0 0 346.470 5.750 50 0 EKAARN O=C(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc21 ZINC000002556917 563440951 /nfs/dbraw/zinc/44/09/51/563440951.db2.gz CFQMRXPGNSGVOV-UHFFFAOYSA-N 0 0 336.434 5.856 50 0 EKAARN Cc1cc(C)cc(-c2c(C3=NC(C)(C)CO3)ccc3ccccc32)c1 ZINC000002557008 209867536 /nfs/dbraw/zinc/86/75/36/209867536.db2.gz GCDYLOAUWQTSFQ-UHFFFAOYSA-N 0 0 329.443 5.679 50 0 EKAARN Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002557643 563441172 /nfs/dbraw/zinc/44/11/72/563441172.db2.gz ANIMHEGKUNKTSA-UHFFFAOYSA-N 0 0 341.841 6.736 50 0 EKAARN O=C(c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000002557927 563441185 /nfs/dbraw/zinc/44/11/85/563441185.db2.gz ITMLYLPKSFZCJK-UHFFFAOYSA-N 0 0 337.216 5.347 50 0 EKAARN Clc1cccc(Nc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000002557949 209867448 /nfs/dbraw/zinc/86/74/48/209867448.db2.gz CEHQLKSLMFIHBF-UHFFFAOYSA-N 0 0 331.806 5.694 50 0 in-vitro EKAARN CCCCC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000002558217 563441187 /nfs/dbraw/zinc/44/11/87/563441187.db2.gz JRLOEMCOOZSCQP-JOCHJYFZSA-N 0 0 335.447 5.428 50 0 in-vivo EKAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 ZINC000002558439 563441133 /nfs/dbraw/zinc/44/11/33/563441133.db2.gz OVSLLNQOOQSFIV-ZDUSSCGKSA-N 0 0 342.508 5.124 50 0 EKAARN Cc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000002558451 563441188 /nfs/dbraw/zinc/44/11/88/563441188.db2.gz MFGODLSQKHMGMA-ZDUSSCGKSA-N 0 0 342.508 5.042 50 0 EKAARN Cc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000002560548 563441543 /nfs/dbraw/zinc/44/15/43/563441543.db2.gz FJKVRVFGUXMMAO-UHFFFAOYSA-N 0 0 340.315 5.640 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)CC(C)(C)C ZINC000002561586 201536241 /nfs/dbraw/zinc/53/62/41/201536241.db2.gz RMPSPHQSSLPRLN-UHFFFAOYSA-N 0 0 348.874 5.248 50 0 EKAARN COc1ccc(Cl)cc1Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002561873 563441585 /nfs/dbraw/zinc/44/15/85/563441585.db2.gz DGJICWQWEOTZEW-UHFFFAOYSA-N 0 0 334.803 5.355 50 0 EKAARN Cc1cc(-c2csc(NCCc3ccccc3)n2)ccc1Cl ZINC000002561955 209868663 /nfs/dbraw/zinc/86/86/63/209868663.db2.gz YURCAJDEOGLNJW-UHFFFAOYSA-N 0 0 328.868 5.427 50 0 EKAARN C[C@H](Sc1ccc(Cl)cc1)C1N=NC(=S)N1c1ccccc1 ZINC000002562210 563441904 /nfs/dbraw/zinc/44/19/04/563441904.db2.gz YPBVFANYYZXKBV-NSHDSACASA-N 0 0 347.896 5.063 50 0 EKAARN CCCCCCc1ccc(-c2ccc(CCCCCC)s2)s1 ZINC000002563922 563441878 /nfs/dbraw/zinc/44/18/78/563441878.db2.gz RVQZMWDOMFSYKE-UHFFFAOYSA-N 0 0 334.594 7.722 50 0 EKAARN FC(F)(F)c1ccc2nc(C(Cl)(Cl)Cl)cc(Cl)c2c1 ZINC000002564342 209868048 /nfs/dbraw/zinc/86/80/48/209868048.db2.gz PWFMSBSBMGUFFI-UHFFFAOYSA-N 0 0 348.966 5.734 50 0 EKAARN CC[C@@H](C)c1cc(C(C)(C)c2ccc(O)c([C@H](C)CC)c2)ccc1O ZINC000002564437 563441849 /nfs/dbraw/zinc/44/18/49/563441849.db2.gz XCUMMFDPFFDQEX-HZPDHXFCSA-N 0 0 340.507 6.451 50 0 EKAARN CC(C)(c1ccc(N)cc1)c1cccc(C(C)(C)c2ccc(N)cc2)c1 ZINC000002564791 563441840 /nfs/dbraw/zinc/44/18/40/563441840.db2.gz KWOIWTRRPFHBSI-UHFFFAOYSA-N 0 0 344.502 5.503 50 0 EKAARN CCCCCCc1cc(Br)sc1Br ZINC000002564813 201535940 /nfs/dbraw/zinc/53/59/40/201535940.db2.gz NSYFIAVPXHGRSH-UHFFFAOYSA-N 0 0 326.097 5.396 50 0 EKAARN Brc1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000002565509 201535988 /nfs/dbraw/zinc/53/59/88/201535988.db2.gz JEHMPNUQSJNJDL-OWOJBTEDSA-N 0 0 338.042 5.382 50 0 EKAARN ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC[C@H]3[C@]1(Cl)C2(Cl)Cl ZINC000002565859 563441928 /nfs/dbraw/zinc/44/19/28/563441928.db2.gz XCJXQCUJXDUNDN-UVYAHXQWSA-N 0 0 338.876 5.024 50 0 EKAARN Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1 ZINC000002566936 563442239 /nfs/dbraw/zinc/44/22/39/563442239.db2.gz LACXVZHAJMVESG-UHFFFAOYSA-N 0 0 326.437 6.621 50 0 EKAARN CCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc21 ZINC000002568471 563442206 /nfs/dbraw/zinc/44/22/06/563442206.db2.gz LSRISAFVHKIQRU-UHFFFAOYSA-N 0 0 347.458 5.947 50 0 EKAARN CCCCCCOC(=O)c1cc(-c2ccccc2)nc2c(C)cccc12 ZINC000002568472 563442179 /nfs/dbraw/zinc/44/21/79/563442179.db2.gz MDAYHBDVFPWQPN-UHFFFAOYSA-N 0 0 347.458 5.947 50 0 EKAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002570409 564088752 /nfs/dbraw/zinc/08/87/52/564088752.db2.gz WLKFBDXUALOSJE-IZZDOVSWSA-N 0 0 331.818 5.429 50 0 EKAARN CC(C)(C)c1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 ZINC000002570411 564088774 /nfs/dbraw/zinc/08/87/74/564088774.db2.gz IRLJOCRBBIWROZ-UHFFFAOYSA-N 0 0 348.229 5.459 50 0 EKAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C2CCCCC2)cc1 ZINC000002570910 564150978 /nfs/dbraw/zinc/15/09/78/564150978.db2.gz KTYRJNIASIXYFM-NTUHNPAUSA-N 0 0 349.430 5.115 50 0 EKAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(C3CCCCC3)cc2)cc1 ZINC000002570929 209869625 /nfs/dbraw/zinc/86/96/25/209869625.db2.gz LZLRJYSRMSQLFO-LICLKQGHSA-N 0 0 349.474 5.785 50 0 EKAARN Fc1ccc(Nc2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000002570938 209870138 /nfs/dbraw/zinc/87/01/38/209870138.db2.gz HGRBRVFIVBWWNP-UHFFFAOYSA-N 0 0 339.222 6.000 50 0 EKAARN CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002570955 563593147 /nfs/dbraw/zinc/59/31/47/563593147.db2.gz IBNCWLQZJDFHTG-JXMROGBWSA-N 0 0 331.818 5.330 50 0 EKAARN Cc1cc(-c2csc(Nc3ccc(F)cc3F)n2)ccc1Cl ZINC000002571116 563442561 /nfs/dbraw/zinc/44/25/61/563442561.db2.gz FWLKRESMIRUEHD-UHFFFAOYSA-N 0 0 336.794 5.794 50 0 EKAARN COC(=O)c1c(N)sc(C)c1-c1ccc(C2CCCCC2)cc1 ZINC000002575796 563442916 /nfs/dbraw/zinc/44/29/16/563442916.db2.gz JEELCXOZKKIIHR-UHFFFAOYSA-N 0 0 329.465 5.140 50 0 EKAARN CC(C)Cc1ccc(/C=C/C(=O)NCc2cccc3ccccc32)cc1 ZINC000002576755 563593878 /nfs/dbraw/zinc/59/38/78/563593878.db2.gz DPLXRRNPJDDDRV-CCEZHUSRSA-N 0 0 343.470 5.368 50 0 EKAARN Cc1c2cc(Cl)cc(Cl)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000002576843 563442877 /nfs/dbraw/zinc/44/28/77/563442877.db2.gz 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563445919 /nfs/dbraw/zinc/44/59/19/563445919.db2.gz IIMDMFSKDQYLMU-UHFFFAOYSA-N 0 0 328.415 5.172 50 0 EKAARN c1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000002689443 563445857 /nfs/dbraw/zinc/44/58/57/563445857.db2.gz ZUGTUGIDHMDFDG-UHFFFAOYSA-N 0 0 342.442 5.096 50 0 EKAARN COc1ccc(C(C)(C)C)cc1-c1cc(C(C)(C)C)ccc1OC ZINC000002689547 209890056 /nfs/dbraw/zinc/89/00/56/209890056.db2.gz YCEWUMHYHIAYGB-UHFFFAOYSA-N 0 0 326.480 5.966 50 0 EKAARN Cc1ccc2nc(Nc3ccccc3Cl)nc(-c3ccccc3)c2c1 ZINC000002690379 563445855 /nfs/dbraw/zinc/44/58/55/563445855.db2.gz SOHZRNJGKQNXAL-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN Cc1ccc2c(c1)Cc1c(=S)[nH]c(-c3ccc(Cl)cc3)nc1O2 ZINC000002691204 209889654 /nfs/dbraw/zinc/88/96/54/209889654.db2.gz XNLVAMJCYXAVAS-UHFFFAOYSA-N 0 0 340.835 5.091 50 0 EKAARN Cc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3ccccc32)c1 ZINC000002691352 564125268 /nfs/dbraw/zinc/12/52/68/564125268.db2.gz UBSWWJQZLDJYRP-UHFFFAOYSA-N 0 0 349.437 5.560 50 0 EKAARN Cc1ccc2c(c1)Cc1c(=S)[nH]c(-c3cccc(Cl)c3)nc1O2 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348.924 5.093 50 0 EKAARN CCN(Cc1ccccc1)C(=O)c1sc2ccccc2c1Cl ZINC000002728458 563446932 /nfs/dbraw/zinc/44/69/32/563446932.db2.gz CLMBJCGYAXQBTO-UHFFFAOYSA-N 0 0 329.852 5.217 50 0 EKAARN O=C(CCCCc1cccs1)Nc1ccc(C(F)(F)F)cc1 ZINC000002728742 563447435 /nfs/dbraw/zinc/44/74/35/563447435.db2.gz JLNPFNOBOMBUES-UHFFFAOYSA-N 0 0 327.371 5.118 50 0 EKAARN Cc1cc(C)cc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000002729073 563609023 /nfs/dbraw/zinc/60/90/23/563609023.db2.gz GKUUGKDBNQUTKD-UHFFFAOYSA-N 0 0 329.443 5.464 50 0 EKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000002729636 563609041 /nfs/dbraw/zinc/60/90/41/563609041.db2.gz YODMYFXBADCIDF-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN CCn1nc(C)c2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000002732193 563609435 /nfs/dbraw/zinc/60/94/35/563609435.db2.gz LJUONRDTHIJUKO-UHFFFAOYSA-N 0 0 345.777 5.160 50 0 EKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)s1 ZINC000002732236 209897026 /nfs/dbraw/zinc/89/70/26/209897026.db2.gz VCVTWJZVBWOYLK-UHFFFAOYSA-N 0 0 339.386 5.069 50 0 EKAARN CCn1nc(C)c2c1nc(-c1ccc(C)c(C)c1)cc2C(F)(F)F ZINC000002732321 563609391 /nfs/dbraw/zinc/60/93/91/563609391.db2.gz GGNSBPNNGRWCFI-UHFFFAOYSA-N 0 0 333.357 5.062 50 0 EKAARN CCn1nc(C)c2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000002733163 209897775 /nfs/dbraw/zinc/89/77/75/209897775.db2.gz USHGRNQRDFIDSN-UHFFFAOYSA-N 0 0 337.373 5.517 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000002733254 564152334 /nfs/dbraw/zinc/15/23/34/564152334.db2.gz BBQKRCIHEJSGIS-UHFFFAOYSA-N 0 0 338.454 6.132 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3cccc(F)c3)n2)cc1 ZINC000002733406 201541359 /nfs/dbraw/zinc/54/13/59/201541359.db2.gz FFKMUMRJOAJUCG-UHFFFAOYSA-N 0 0 342.417 5.962 50 0 EKAARN Cc1c(-c2ccc(F)cc2)nn(C2CCCC2)c1-c1ccc(F)cc1 ZINC000002733500 564152360 /nfs/dbraw/zinc/15/23/60/564152360.db2.gz MSNADPBTEPQFPJ-UHFFFAOYSA-N 0 0 338.401 5.919 50 0 EKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccc(C)cc3)cc(C(F)F)c12 ZINC000002733636 563609796 /nfs/dbraw/zinc/60/97/96/563609796.db2.gz DKAHTUYNJLGOJC-UHFFFAOYSA-N 0 0 349.384 5.642 50 0 EKAARN Cc1nn(-c2ccccc2)c2nc(C(C)(C)C)cc(C(F)(F)F)c12 ZINC000002733815 563447301 /nfs/dbraw/zinc/44/73/01/563447301.db2.gz GRJPEBTWCXYJIL-UHFFFAOYSA-N 0 0 333.357 5.045 50 0 EKAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000002733870 209897877 /nfs/dbraw/zinc/89/78/77/209897877.db2.gz FURPERSFTNOLAR-UHFFFAOYSA-N 0 0 341.386 5.395 50 0 EKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000002733910 564075155 /nfs/dbraw/zinc/07/51/55/564075155.db2.gz AVQMAJVGWVMHGE-UHFFFAOYSA-N 0 0 343.308 5.008 50 0 EKAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(F)F)c12 ZINC000002733956 209897247 /nfs/dbraw/zinc/89/72/47/209897247.db2.gz YOEBFTHDDMMFLJ-UHFFFAOYSA-N 0 0 335.357 5.334 50 0 EKAARN CCCCc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002734192 563447374 /nfs/dbraw/zinc/44/73/74/563447374.db2.gz MCHLKOCFKSZVAZ-UHFFFAOYSA-N 0 0 337.250 5.980 50 0 EKAARN O=C(NC1CCCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002734246 209897229 /nfs/dbraw/zinc/89/72/29/209897229.db2.gz ROGTXPDKQFVLEJ-FQEVSTJZSA-N 0 0 339.504 5.359 50 0 EKAARN O=C(NC1CCCCCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002734247 563609804 /nfs/dbraw/zinc/60/98/04/563609804.db2.gz ROGTXPDKQFVLEJ-HXUWFJFHSA-N 0 0 339.504 5.359 50 0 EKAARN CCCCC[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002734300 563609768 /nfs/dbraw/zinc/60/97/68/563609768.db2.gz JEBXGQMNQADRHC-YLJYHZDGSA-N 0 0 341.520 5.605 50 0 EKAARN CCCCC[C@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002734301 563609782 /nfs/dbraw/zinc/60/97/82/563609782.db2.gz JEBXGQMNQADRHC-FXAWDEMLSA-N 0 0 341.520 5.605 50 0 EKAARN CCCCC[C@@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002734302 520283777 /nfs/dbraw/zinc/28/37/77/520283777.db2.gz JEBXGQMNQADRHC-XLIONFOSSA-N 0 0 341.520 5.605 50 0 EKAARN CCCCC[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002734303 520308150 /nfs/dbraw/zinc/30/81/50/520308150.db2.gz JEBXGQMNQADRHC-PXNSSMCTSA-N 0 0 341.520 5.605 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000002734313 563609780 /nfs/dbraw/zinc/60/97/80/563609780.db2.gz WPVWYDQCUORMTE-UKRRQHHQSA-N 0 0 345.870 5.568 50 0 EKAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000002734314 563609777 /nfs/dbraw/zinc/60/97/77/563609777.db2.gz WPVWYDQCUORMTE-DZGCQCFKSA-N 0 0 345.870 5.568 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000002734315 563609783 /nfs/dbraw/zinc/60/97/83/563609783.db2.gz WPVWYDQCUORMTE-HIFRSBDPSA-N 0 0 345.870 5.568 50 0 EKAARN CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 ZINC000002734316 522038513 /nfs/dbraw/zinc/03/85/13/522038513.db2.gz WPVWYDQCUORMTE-ZFWWWQNUSA-N 0 0 345.870 5.568 50 0 EKAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCCCCc1ccccc1 ZINC000002734342 563609774 /nfs/dbraw/zinc/60/97/74/563609774.db2.gz JDBOEJZZTJWHQM-OUKQBFOZSA-N 0 0 348.273 5.146 50 0 EKAARN CCc1cccc(CC)c1NC(=O)c1ccccc1Oc1ccccc1 ZINC000002734551 563447417 /nfs/dbraw/zinc/44/74/17/563447417.db2.gz HFBHICJDOSAVKJ-UHFFFAOYSA-N 0 0 345.442 5.856 50 0 EKAARN CCC(CC)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 ZINC000002734613 563447333 /nfs/dbraw/zinc/44/73/33/563447333.db2.gz SMPFAJSDMRWCJR-UHFFFAOYSA-N 0 0 344.267 5.001 50 0 EKAARN Cc1ccccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000002735399 564152364 /nfs/dbraw/zinc/15/23/64/564152364.db2.gz HFCGSVLFAVPMIE-UHFFFAOYSA-N 0 0 342.798 5.059 50 0 EKAARN Cc1cccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000002735592 563609813 /nfs/dbraw/zinc/60/98/13/563609813.db2.gz VJIDWZIIAYUNDC-UHFFFAOYSA-N 0 0 342.798 5.059 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F ZINC000002735626 563609801 /nfs/dbraw/zinc/60/98/01/563609801.db2.gz VSZCTCCJLRSUMW-UHFFFAOYSA-N 0 0 347.148 5.239 50 0 EKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002736265 563447703 /nfs/dbraw/zinc/44/77/03/563447703.db2.gz OHAXOXOAGAHGQA-QGZVFWFLSA-N 0 0 329.443 6.119 50 0 EKAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002736266 563447752 /nfs/dbraw/zinc/44/77/52/563447752.db2.gz OHAXOXOAGAHGQA-KRWDZBQOSA-N 0 0 329.443 6.119 50 0 EKAARN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002736450 563447697 /nfs/dbraw/zinc/44/76/97/563447697.db2.gz HMGXPQXMLSOTJS-GOSISDBHSA-N 0 0 329.443 5.086 50 0 EKAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002736571 209899708 /nfs/dbraw/zinc/89/97/08/209899708.db2.gz PGWQXBZGCJRKSY-IBGZPJMESA-N 0 0 337.419 5.298 50 0 EKAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002736572 563607622 /nfs/dbraw/zinc/60/76/22/563607622.db2.gz PGWQXBZGCJRKSY-LJQANCHMSA-N 0 0 337.419 5.298 50 0 EKAARN CCc1cccc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002737463 563607593 /nfs/dbraw/zinc/60/75/93/563607593.db2.gz GGHBZRVKMHNSAO-UHFFFAOYSA-N 0 0 329.443 5.328 50 0 EKAARN Cc1scc(C(=O)Nc2ccc(C)c(F)c2)c1-c1ccccc1 ZINC000002738014 563607868 /nfs/dbraw/zinc/60/78/68/563607868.db2.gz BOSFJVLWOFXOIE-UHFFFAOYSA-N 0 0 325.408 5.423 50 0 EKAARN Cc1scc(C(=O)NCc2ccccc2Cl)c1-c1ccccc1 ZINC000002738220 563607895 /nfs/dbraw/zinc/60/78/95/563607895.db2.gz LCPHBUUAJSUVKJ-UHFFFAOYSA-N 0 0 341.863 5.307 50 0 EKAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)o1 ZINC000002738483 563447664 /nfs/dbraw/zinc/44/76/64/563447664.db2.gz BFGPCAVBXXNSKC-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCC1 ZINC000002738915 563607891 /nfs/dbraw/zinc/60/78/91/563607891.db2.gz NKAHYTGJKQKLSD-UHFFFAOYSA-N 0 0 341.263 5.246 50 0 EKAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 ZINC000002740359 563448096 /nfs/dbraw/zinc/44/80/96/563448096.db2.gz QHCHJOSAXIWUST-UHFFFAOYSA-N 0 0 330.412 5.216 50 0 EKAARN Cc1nn(C)c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c12 ZINC000002740469 563608369 /nfs/dbraw/zinc/60/83/69/563608369.db2.gz RUDFZISXBQMIKC-UHFFFAOYSA-N 0 0 342.176 5.188 50 0 EKAARN CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000002740799 563608592 /nfs/dbraw/zinc/60/85/92/563608592.db2.gz CHODQEUHUAVCPS-UHFFFAOYSA-N 0 0 338.838 5.084 50 0 EKAARN Cc1nn(C)c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 ZINC000002740856 564119078 /nfs/dbraw/zinc/11/90/78/564119078.db2.gz XUIXFDMGTLLTMN-UHFFFAOYSA-N 0 0 341.336 5.116 50 0 EKAARN Cn1nc(C2CC2)c2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000002740939 563608603 /nfs/dbraw/zinc/60/86/03/563608603.db2.gz WLTYNRJYURXAPX-UHFFFAOYSA-N 0 0 349.384 5.604 50 0 EKAARN Cc1nn(C)c2nc(-c3cccc4ccccc43)cc(C(F)(F)F)c12 ZINC000002740980 201542948 /nfs/dbraw/zinc/54/29/48/201542948.db2.gz SCCDDDDBFGOQID-UHFFFAOYSA-N 0 0 341.336 5.116 50 0 EKAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1C ZINC000002741023 563608616 /nfs/dbraw/zinc/60/86/16/563608616.db2.gz BFOPGXWSOKADSF-UHFFFAOYSA-N 0 0 345.368 5.148 50 0 EKAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cc1 ZINC000002741055 564025990 /nfs/dbraw/zinc/02/59/90/564025990.db2.gz SBRZVSZODUOKLV-UHFFFAOYSA-N 0 0 345.368 5.094 50 0 EKAARN Cc1nn(C)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12 ZINC000002741133 201542897 /nfs/dbraw/zinc/54/28/97/201542897.db2.gz JVEZNDJIQCPRIB-UHFFFAOYSA-N 0 0 347.384 5.260 50 0 EKAARN FC(F)(F)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000002741219 563608670 /nfs/dbraw/zinc/60/86/70/563608670.db2.gz NSNZFBCAPWKEFN-UHFFFAOYSA-N 0 0 343.352 5.194 50 0 EKAARN O=C(Nc1cc(Cl)ccc1Cl)C1(c2ccccc2)CCCC1 ZINC000002741475 563448120 /nfs/dbraw/zinc/44/81/20/563448120.db2.gz IHTCZHCCXTZBOM-UHFFFAOYSA-N 0 0 334.246 5.444 50 0 EKAARN CCN(CC)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002741773 563608695 /nfs/dbraw/zinc/60/86/95/563608695.db2.gz CJUCLXIDUNZAIU-UHFFFAOYSA-N 0 0 344.867 5.099 50 0 EKAARN Cc1ccc(-c2cc(C(=O)N(C(C)C)C(C)C)c3ccccc3n2)o1 ZINC000002743146 209900935 /nfs/dbraw/zinc/90/09/35/209900935.db2.gz CTLKFJMOHLJEOZ-UHFFFAOYSA-N 0 0 336.435 5.062 50 0 EKAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000002743304 209900973 /nfs/dbraw/zinc/90/09/73/209900973.db2.gz UYUJRYGHAZCZDA-AWEZNQCLSA-N 0 0 331.843 5.178 50 0 EKAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000002743305 563611188 /nfs/dbraw/zinc/61/11/88/563611188.db2.gz UYUJRYGHAZCZDA-CQSZACIVSA-N 0 0 331.843 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COc1cc(C)ccc1OCCOc1c(C)cc(Cl)cc1Cl ZINC000002985234 563466466 /nfs/dbraw/zinc/46/64/66/563466466.db2.gz QGZUIISLVQVFJB-UHFFFAOYSA-N 0 0 341.234 5.077 50 0 EKAARN COc1ccccc1OCCCOc1c(Cl)cc(C)cc1Cl ZINC000002985249 563466428 /nfs/dbraw/zinc/46/64/28/563466428.db2.gz XSDOKLPXTHIBOK-UHFFFAOYSA-N 0 0 341.234 5.158 50 0 EKAARN CC(C)(C)c1ccc(OCCCOc2cccc3cccnc32)cc1 ZINC000002985325 209951144 /nfs/dbraw/zinc/95/11/44/209951144.db2.gz MVLXUUCXYNUGMN-UHFFFAOYSA-N 0 0 335.447 5.380 50 0 EKAARN CC(C)c1ccc(OCCCCOc2cccc3cccnc32)cc1 ZINC000002985397 563466970 /nfs/dbraw/zinc/46/69/70/563466970.db2.gz FKFGKMVVWAPVHZ-UHFFFAOYSA-N 0 0 335.447 5.596 50 0 EKAARN COc1cccc(OCCCCOc2cc(Cl)ccc2Cl)c1 ZINC000002985401 563466856 /nfs/dbraw/zinc/46/68/56/563466856.db2.gz AIYTUSIOOCLMCW-UHFFFAOYSA-N 0 0 341.234 5.240 50 0 EKAARN COc1cc(C)ccc1OCCCOc1cccc(Cl)c1Cl ZINC000002985422 209950494 /nfs/dbraw/zinc/95/04/94/209950494.db2.gz PWHCTSMVIWZSSF-UHFFFAOYSA-N 0 0 341.234 5.158 50 0 EKAARN COc1cc(C)ccc1OCCCOc1cc(Cl)ccc1Cl ZINC000002985450 563466949 /nfs/dbraw/zinc/46/69/49/563466949.db2.gz PIORKROLTBOQPF-UHFFFAOYSA-N 0 0 341.234 5.158 50 0 EKAARN C/C=C/c1ccc(OCCCCOc2cc(C)ccc2C)c(OC)c1 ZINC000002985560 563466834 /nfs/dbraw/zinc/46/68/34/563466834.db2.gz LPJWXWAOFKHLFN-VMPITWQZSA-N 0 0 340.463 5.583 50 0 EKAARN C/C=C/c1ccc(OCCCCOc2c(C)cccc2C)c(OC)c1 ZINC000002985577 563466904 /nfs/dbraw/zinc/46/69/04/563466904.db2.gz OFZIKNXYAABXQT-WEVVVXLNSA-N 0 0 340.463 5.583 50 0 EKAARN Clc1ccc(OCCCCOc2cccc3cccnc32)cc1 ZINC000002985579 563466972 /nfs/dbraw/zinc/46/69/72/563466972.db2.gz UCRXGIMNVJYKKQ-UHFFFAOYSA-N 0 0 327.811 5.126 50 0 EKAARN COc1cc(C)ccc1OCCCCOc1ccc(Cl)c(C)c1 ZINC000002985631 563466963 /nfs/dbraw/zinc/46/69/63/563466963.db2.gz VMKZTGNJXZEGPJ-UHFFFAOYSA-N 0 0 334.843 5.203 50 0 EKAARN COc1cc(C)ccc1OCCCOc1c(C)cc(C)cc1Cl ZINC000002985685 563466919 /nfs/dbraw/zinc/46/69/19/563466919.db2.gz GGCDQPWGRBYXOY-UHFFFAOYSA-N 0 0 334.843 5.122 50 0 EKAARN Cc1cccc(Cl)c1OCCCOc1cccc2cccnc21 ZINC000002985740 563467109 /nfs/dbraw/zinc/46/71/09/563467109.db2.gz QEZCNPHOIVDDEY-UHFFFAOYSA-N 0 0 327.811 5.045 50 0 EKAARN CCOc1ccccc1OCCCCOc1cc(C)ccc1Cl ZINC000002985772 563467135 /nfs/dbraw/zinc/46/71/35/563467135.db2.gz IEVAPKHJEWZOJS-UHFFFAOYSA-N 0 0 334.843 5.285 50 0 EKAARN CC[C@@H](C)c1ccc(OCCCOc2ccc(C)cc2OC)cc1 ZINC000002985813 563467096 /nfs/dbraw/zinc/46/70/96/563467096.db2.gz FRZBYDQHUJNUOH-QGZVFWFLSA-N 0 0 328.452 5.365 50 0 EKAARN CC[C@H](C)c1ccc(OCCCOc2ccc(C)cc2OC)cc1 ZINC000002985814 563467099 /nfs/dbraw/zinc/46/70/99/563467099.db2.gz FRZBYDQHUJNUOH-KRWDZBQOSA-N 0 0 328.452 5.365 50 0 EKAARN Cc1cc(OCCCCOc2cccc3cccnc32)ccc1Cl ZINC000002985829 563467132 /nfs/dbraw/zinc/46/71/32/563467132.db2.gz AAAZTJMBMUSWBE-UHFFFAOYSA-N 0 0 341.838 5.435 50 0 EKAARN C/C=C/c1ccc(OCCCOc2cccc3cccnc32)c(OC)c1 ZINC000002985854 563467126 /nfs/dbraw/zinc/46/71/26/563467126.db2.gz ZPBXUBRKTFJYMQ-XVNBXDOJSA-N 0 0 349.430 5.124 50 0 EKAARN 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CC(C)c1cccc(OCCCCOc2cccc3cccnc32)c1 ZINC000002987090 563467568 /nfs/dbraw/zinc/46/75/68/563467568.db2.gz OSPFOMBCLPTULT-UHFFFAOYSA-N 0 0 335.447 5.596 50 0 EKAARN CCOc1ccc(OCCCOc2cccc(Cl)c2Cl)cc1 ZINC000002987098 563467620 /nfs/dbraw/zinc/46/76/20/563467620.db2.gz NFJZYANTVVVUBB-UHFFFAOYSA-N 0 0 341.234 5.240 50 0 EKAARN COc1cc(C)ccc1OCCCCOc1c(C)ccc(C)c1C ZINC000002987103 563467505 /nfs/dbraw/zinc/46/75/05/563467505.db2.gz FYSXKMXFDITJFG-UHFFFAOYSA-N 0 0 328.452 5.167 50 0 EKAARN CC(C)CCC[C@@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002988216 563467480 /nfs/dbraw/zinc/46/74/80/563467480.db2.gz BVIIVHJUQNUCQA-MRXNPFEDSA-N 0 0 337.463 5.255 50 0 EKAARN CC(C)CCC[C@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002988217 563467544 /nfs/dbraw/zinc/46/75/44/563467544.db2.gz BVIIVHJUQNUCQA-INIZCTEOSA-N 0 0 337.463 5.255 50 0 EKAARN COc1cccc(OCCCn2c3ccccc3c3ccccc32)c1 ZINC000002988452 563467583 /nfs/dbraw/zinc/46/75/83/563467583.db2.gz SHURVIDIAJNXCM-UHFFFAOYSA-N 0 0 331.415 5.272 50 0 EKAARN 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564160831 /nfs/dbraw/zinc/16/08/31/564160831.db2.gz LPGSPJYXGYDXME-UHFFFAOYSA-N 0 0 330.497 5.707 50 0 EKAARN Cc1ccc2[nH]c3nc(SCCCC4CCCCC4)nnc3c2c1 ZINC000004130117 210127603 /nfs/dbraw/zinc/12/76/03/210127603.db2.gz SFZQOYXJJSHGQZ-UHFFFAOYSA-N 0 0 340.496 5.267 50 0 EKAARN CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004133115 210127971 /nfs/dbraw/zinc/12/79/71/210127971.db2.gz BWRCCWGTNWSOQM-PKOBYXMFSA-N 0 0 326.827 5.010 50 0 EKAARN CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004133117 210128389 /nfs/dbraw/zinc/12/83/89/210128389.db2.gz BWRCCWGTNWSOQM-HKUYNNGSSA-N 0 0 326.827 5.010 50 0 EKAARN Clc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1C1(CCCC1)O2 ZINC000004133142 563495603 /nfs/dbraw/zinc/49/56/03/563495603.db2.gz HAKOUFOKJGATDZ-HNNXBMFYSA-N 0 0 344.867 5.215 50 0 EKAARN O=C(/C=C/c1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004134649 210129652 /nfs/dbraw/zinc/12/96/52/210129652.db2.gz PTVGAZXNLHTOHZ-VAWYXSNFSA-N 0 0 346.411 5.208 50 0 EKAARN 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/nfs/dbraw/zinc/59/37/72/201593772.db2.gz QOVAJADTPADMGC-UHFFFAOYSA-N 0 0 337.492 5.300 50 0 EKAARN CCOc1nc2c(c(C(F)(F)F)n1)C[C@@H](C)C/C2=C\c1ccccc1 ZINC000004184960 563497244 /nfs/dbraw/zinc/49/72/44/563497244.db2.gz YAGQAFACHQMKMQ-SEVUAYLXSA-N 0 0 348.368 5.017 50 0 EKAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(c1ccccc1)c1ccccc1)CC2=O ZINC000004185873 563497229 /nfs/dbraw/zinc/49/72/29/563497229.db2.gz NKGOWKBRWRLSPL-XZOQPEGZSA-N 0 0 347.458 5.137 50 0 EKAARN CC1(C)[C@@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@]1(C)C(=O)C2 ZINC000004185874 563497236 /nfs/dbraw/zinc/49/72/36/563497236.db2.gz NKGOWKBRWRLSPL-PKTZIBPZSA-N 0 0 347.458 5.137 50 0 EKAARN CCc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000004185887 563497279 /nfs/dbraw/zinc/49/72/79/563497279.db2.gz DSZWWJVZQKAXRH-UHFFFAOYSA-N 0 0 329.399 5.330 50 0 EKAARN Cc1cccc(-n2c(SCc3ccccc3C)nnc2C2CC2)c1 ZINC000004186259 201593920 /nfs/dbraw/zinc/59/39/20/201593920.db2.gz UQRISIBFIUVAGV-UHFFFAOYSA-N 0 0 335.476 5.054 50 0 EKAARN 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347.845 5.285 50 0 EKAARN CCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000004188808 201593262 /nfs/dbraw/zinc/59/32/62/201593262.db2.gz YVCDABVPLZMRPK-UHFFFAOYSA-N 0 0 339.822 5.430 50 0 EKAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccccc4)oc(=O)c23)C1 ZINC000004189146 210142186 /nfs/dbraw/zinc/14/21/86/210142186.db2.gz NAKYPKPSIOXRIH-CYBMUJFWSA-N 0 0 339.460 5.068 50 0 EKAARN CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccccc4)oc(=O)c23)C1 ZINC000004189148 210142821 /nfs/dbraw/zinc/14/28/21/210142821.db2.gz NAKYPKPSIOXRIH-ZDUSSCGKSA-N 0 0 339.460 5.068 50 0 EKAARN Cc1cccc(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000004189181 210142851 /nfs/dbraw/zinc/14/28/51/210142851.db2.gz CIGOGWCBUXBRCM-CYBMUJFWSA-N 0 0 342.508 5.042 50 0 EKAARN CCCCc1nc2sc3c(ncnc3Cl)c2c2c1CCCC2 ZINC000004193076 210142320 /nfs/dbraw/zinc/14/23/20/210142320.db2.gz DNXXGLNTWKKERQ-UHFFFAOYSA-N 0 0 331.872 5.114 50 0 EKAARN CC(C)(C)c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000004193290 210141510 /nfs/dbraw/zinc/14/15/10/210141510.db2.gz 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/nfs/dbraw/zinc/49/75/27/563497527.db2.gz HAKOUFOKJGATDZ-OAHLLOKOSA-N 0 0 344.867 5.215 50 0 EKAARN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(Cl)c2c1C ZINC000004204580 563497565 /nfs/dbraw/zinc/49/75/65/563497565.db2.gz KNDNQPOMVPAUTQ-UHFFFAOYSA-N 0 0 340.782 5.230 50 0 EKAARN Cc1sc2nc(-c3ccccn3)nc(Cl)c2c1-c1ccccc1 ZINC000004204582 210145856 /nfs/dbraw/zinc/14/58/56/210145856.db2.gz GUCZJEWUIAAMQU-UHFFFAOYSA-N 0 0 337.835 5.382 50 0 EKAARN Cc1ccc(-c2csc3nc(-c4ccncc4)nc(Cl)c23)cc1 ZINC000004204902 210145358 /nfs/dbraw/zinc/14/53/58/210145358.db2.gz LIVNIHJUJOLCOO-UHFFFAOYSA-N 0 0 337.835 5.382 50 0 EKAARN Clc1nc(-c2ccccc2)nc2scc(-c3cccs3)c21 ZINC000004205379 563497535 /nfs/dbraw/zinc/49/75/35/563497535.db2.gz MVAGBPKYNISOSK-UHFFFAOYSA-N 0 0 328.849 5.740 50 0 EKAARN Clc1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000004205963 210145200 /nfs/dbraw/zinc/14/52/00/210145200.db2.gz QAYWIUZKWWQPPP-UHFFFAOYSA-N 0 0 328.849 5.740 50 0 EKAARN Clc1nc(/C=C/c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000004206754 210145304 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ZINC000004247986 210151439 /nfs/dbraw/zinc/15/14/39/210151439.db2.gz WIPFNUCTWXNWNH-KSSFIOAISA-N 0 0 338.457 5.052 50 0 EKAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000004247987 210150801 /nfs/dbraw/zinc/15/08/01/210150801.db2.gz WIPFNUCTWXNWNH-KDOFPFPSSA-N 0 0 338.457 5.052 50 0 EKAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004256396 210154633 /nfs/dbraw/zinc/15/46/33/210154633.db2.gz WTPHVBRBJJLSKL-RBBKRZOGSA-N 0 0 344.389 5.068 50 0 EKAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004256397 210153979 /nfs/dbraw/zinc/15/39/79/210153979.db2.gz WTPHVBRBJJLSKL-IFMALSPDSA-N 0 0 344.389 5.068 50 0 EKAARN Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004257775 210153726 /nfs/dbraw/zinc/15/37/26/210153726.db2.gz FLLMUYQTLMOVFC-JTHBVZDNSA-N 0 0 340.426 5.237 50 0 EKAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004257776 210154144 /nfs/dbraw/zinc/15/41/44/210154144.db2.gz FLLMUYQTLMOVFC-GMAHTHKFSA-N 0 0 340.426 5.237 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000004258358 201595396 /nfs/dbraw/zinc/59/53/96/201595396.db2.gz WOZQYZMWLVUJEO-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN Clc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1 ZINC000004263722 563498681 /nfs/dbraw/zinc/49/86/81/563498681.db2.gz RRMHMARSYQXSMI-UHFFFAOYSA-N 0 0 329.856 5.002 50 0 EKAARN CCCC[C@@H](CC)CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000004264983 210155065 /nfs/dbraw/zinc/15/50/65/210155065.db2.gz QUBKAJJYTAKIEJ-MRXNPFEDSA-N 0 0 337.463 5.257 50 0 EKAARN CCCC[C@H](CC)CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000004264991 210155716 /nfs/dbraw/zinc/15/57/16/210155716.db2.gz QUBKAJJYTAKIEJ-INIZCTEOSA-N 0 0 337.463 5.257 50 0 EKAARN Cc1cc2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2[nH]1 ZINC000004266036 210155648 /nfs/dbraw/zinc/15/56/48/210155648.db2.gz FGKHZDMDWHEXTJ-UHFFFAOYSA-N 0 0 348.233 5.105 50 0 EKAARN Cc1ccc(CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 ZINC000004268545 564161422 /nfs/dbraw/zinc/16/14/22/564161422.db2.gz DXLKHDWRDYQZPX-UHFFFAOYSA-N 0 0 346.499 5.623 50 0 EKAARN Cc1ccc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc2c1C ZINC000004275361 210157861 /nfs/dbraw/zinc/15/78/61/210157861.db2.gz OODALFNOZKLLNO-UHFFFAOYSA-N 0 0 338.476 5.463 50 0 EKAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCCCC1 ZINC000004278867 564161471 /nfs/dbraw/zinc/16/14/71/564161471.db2.gz SZKYAWUBTJKGIR-UHFFFAOYSA-N 0 0 340.492 5.208 50 0 EKAARN O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(F)cc1 ZINC000004279308 210159442 /nfs/dbraw/zinc/15/94/42/210159442.db2.gz UIWLCBJHGYYPFQ-UHFFFAOYSA-N 0 0 346.386 5.335 50 0 EKAARN O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccccc1F ZINC000004279313 210160171 /nfs/dbraw/zinc/16/01/71/210160171.db2.gz HQFPQRWYMUHMRV-UHFFFAOYSA-N 0 0 346.386 5.335 50 0 EKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 ZINC000004282015 210160661 /nfs/dbraw/zinc/16/06/61/210160661.db2.gz RLBDOZURNPDPPC-QKTWPWEVSA-N 0 0 346.474 5.445 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(C)CC2)cc1 ZINC000004282016 210161555 /nfs/dbraw/zinc/16/15/55/210161555.db2.gz 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/nfs/dbraw/zinc/16/18/21/210161821.db2.gz GOGXMMDKEWLTBV-INIZCTEOSA-N 0 0 349.323 5.550 50 0 EKAARN CC(C)Cc1ccc([C@H](C)c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000004289193 205697869 /nfs/dbraw/zinc/69/78/69/205697869.db2.gz RYKKFJCGWINYSH-AWEZNQCLSA-N 0 0 340.854 5.740 50 0 EKAARN CC(C)Cc1ccc([C@H](C)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004289194 210162950 /nfs/dbraw/zinc/16/29/50/210162950.db2.gz BATXQXOZRUSTRJ-AWEZNQCLSA-N 0 0 340.854 5.740 50 0 EKAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)C1CCCCC1 ZINC000004292208 210162404 /nfs/dbraw/zinc/16/24/04/210162404.db2.gz IVDMKPBVEVXDJZ-UHFFFAOYSA-N 0 0 329.252 5.122 50 0 EKAARN CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004292888 564128969 /nfs/dbraw/zinc/12/89/69/564128969.db2.gz BLNQANGFOGHVAO-UQOPEDAQSA-N 0 0 330.512 5.314 50 0 EKAARN CCCO[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004292890 563499310 /nfs/dbraw/zinc/49/93/10/563499310.db2.gz BLNQANGFOGHVAO-PQQZDNAISA-N 0 0 330.512 5.314 50 0 EKAARN C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000004299753 210163177 /nfs/dbraw/zinc/16/31/77/210163177.db2.gz ABSSQTMYTFIBHO-UXPWSPDFSA-N 0 0 327.512 5.291 50 0 EKAARN C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000004299754 563499364 /nfs/dbraw/zinc/49/93/64/563499364.db2.gz ABSSQTMYTFIBHO-AHRSYUTCSA-N 0 0 327.512 5.291 50 0 EKAARN Cc1ccc(-n2c(=N)scc2-c2ccc(Cl)c(C)c2)c(C)c1 ZINC000004299914 210163588 /nfs/dbraw/zinc/16/35/88/210163588.db2.gz DEMLCABAAGGTEY-UHFFFAOYSA-N 0 0 328.868 5.264 50 0 EKAARN O=C(Sc1ccc(Cl)cc1)c1cccnc1Oc1ccccc1 ZINC000004299916 210164009 /nfs/dbraw/zinc/16/40/09/210164009.db2.gz FHUUCHMPBUWYRD-UHFFFAOYSA-N 0 0 341.819 5.460 50 0 EKAARN CC(C)(C)c1ccc(NC(=S)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000004300140 201595828 /nfs/dbraw/zinc/59/58/28/201595828.db2.gz DRSMSPWIHATWFM-UHFFFAOYSA-N 0 0 340.536 6.091 50 0 EKAARN Cc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000004301198 563499427 /nfs/dbraw/zinc/49/94/27/563499427.db2.gz 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ZINC000004301279 210163315 /nfs/dbraw/zinc/16/33/15/210163315.db2.gz SUSREWGCTLFQMC-SEYXRHQNSA-N 0 0 341.581 5.096 50 0 EKAARN C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000004301334 210163866 /nfs/dbraw/zinc/16/38/66/210163866.db2.gz NTDBRNJTVVMTAD-BUVFEPMLSA-N 0 0 332.447 5.137 50 0 EKAARN C[C@H]1CCC[C@@]2(C1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000004301335 210163225 /nfs/dbraw/zinc/16/32/25/210163225.db2.gz NTDBRNJTVVMTAD-BUKVSMQUSA-N 0 0 332.447 5.137 50 0 EKAARN Oc1cccc2ccc(/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc12 ZINC000004302823 210163839 /nfs/dbraw/zinc/16/38/39/210163839.db2.gz XOBICLXNOUQBMW-ZHACJKMWSA-N 0 0 347.801 6.024 50 0 EKAARN Fc1cccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c1 ZINC000004303240 563499403 /nfs/dbraw/zinc/49/94/03/563499403.db2.gz XCXVPWJZOSWQOM-UHFFFAOYSA-N 0 0 340.401 5.969 50 0 EKAARN CC[C@@]1(c2ccccc2)O[C@@H](/C=C/c2ccccc2)Nc2ccccc21 ZINC000004305608 210165556 /nfs/dbraw/zinc/16/55/56/210165556.db2.gz WXVNQPZBOYCWJA-GKIAHDCUSA-N 0 0 341.454 5.822 50 0 EKAARN CC[C@]1(c2ccccc2)O[C@@H](/C=C/c2ccccc2)Nc2ccccc21 ZINC000004305613 210165468 /nfs/dbraw/zinc/16/54/68/210165468.db2.gz WXVNQPZBOYCWJA-HEFFAWAOSA-N 0 0 341.454 5.822 50 0 EKAARN CC[C@@]1(c2ccccc2)O[C@H](/C=C/c2ccccc2)Nc2ccccc21 ZINC000004305614 210164884 /nfs/dbraw/zinc/16/48/84/210164884.db2.gz WXVNQPZBOYCWJA-MVUKWZHESA-N 0 0 341.454 5.822 50 0 EKAARN CC[C@]1(c2ccccc2)O[C@H](/C=C/c2ccccc2)Nc2ccccc21 ZINC000004305619 563499661 /nfs/dbraw/zinc/49/96/61/563499661.db2.gz WXVNQPZBOYCWJA-BEZSILKHSA-N 0 0 341.454 5.822 50 0 EKAARN CSc1cccc(-n2c(=N)scc2-c2ccc(Cl)cc2)c1 ZINC000004306910 563499674 /nfs/dbraw/zinc/49/96/74/563499674.db2.gz KHDYLCGTUMCTGT-UHFFFAOYSA-N 0 0 332.881 5.061 50 0 EKAARN COc1ccc(/C=C/C(=O)n2c3ccccc3c3ccccc32)cc1 ZINC000004309415 210166388 /nfs/dbraw/zinc/16/63/88/210166388.db2.gz CVFLBPMOSBLFTP-NTCAYCPXSA-N 0 0 327.383 5.157 50 0 EKAARN c1ccc(CC2=NNC3(CCCCCCCCCCC3)S2)cc1 ZINC000004309483 210166751 /nfs/dbraw/zinc/16/67/51/210166751.db2.gz 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/nfs/dbraw/zinc/16/68/86/210166886.db2.gz MFEFCCUGUBTQFQ-UHFFFAOYSA-N 0 0 330.383 5.043 50 0 EKAARN CSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 ZINC000004315809 210167158 /nfs/dbraw/zinc/16/71/58/210167158.db2.gz OGQXVZQPNRUFJB-UHFFFAOYSA-N 0 0 334.444 5.179 50 0 EKAARN CCSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 ZINC000004315811 201597575 /nfs/dbraw/zinc/59/75/75/201597575.db2.gz CTOZAANFPRUUAX-UHFFFAOYSA-N 0 0 348.471 5.569 50 0 EKAARN CC(C)c1ccc(-c2nc3c(c(=S)[nH]2)Cc2ccccc2O3)cc1 ZINC000004315944 564161668 /nfs/dbraw/zinc/16/16/68/564161668.db2.gz YRQLFAYFAVJVHF-UHFFFAOYSA-N 0 0 334.444 5.252 50 0 EKAARN Cc1ccccc1-c1nc2ccccc2n1CCOc1ccccc1 ZINC000004317678 210168684 /nfs/dbraw/zinc/16/86/84/210168684.db2.gz DHMZFNUSLJDVNO-UHFFFAOYSA-N 0 0 328.415 5.091 50 0 EKAARN Cc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)cc1 ZINC000004317680 564161663 /nfs/dbraw/zinc/16/16/63/564161663.db2.gz AMMRJYGIXRHCHI-UHFFFAOYSA-N 0 0 328.415 5.091 50 0 EKAARN Cc1cccc(-c2nc3ccccc3n2CCOc2ccccc2C)c1 ZINC000004317682 210169336 /nfs/dbraw/zinc/16/93/36/210169336.db2.gz XAWSVDCVZKMTFS-UHFFFAOYSA-N 0 0 342.442 5.399 50 0 EKAARN Cc1ccc(OCCn2c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000004317684 210169168 /nfs/dbraw/zinc/16/91/68/210169168.db2.gz DZPNKRMWXRXHLG-UHFFFAOYSA-N 0 0 342.442 5.399 50 0 EKAARN CCCOc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000004320637 210170371 /nfs/dbraw/zinc/17/03/71/210170371.db2.gz LCEDJXCIWZFOMA-JOCHJYFZSA-N 0 0 339.759 5.443 50 0 EKAARN CCCOc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2)cc1 ZINC000004320638 210170279 /nfs/dbraw/zinc/17/02/79/210170279.db2.gz LCEDJXCIWZFOMA-QFIPXVFZSA-N 0 0 339.759 5.443 50 0 EKAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C)ccc1F ZINC000004320641 210170154 /nfs/dbraw/zinc/17/01/54/210170154.db2.gz MZFREUKMWZDZQV-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1cc2nc(SCc3cccc(Cl)c3)nc(C)c2cc1C ZINC000004320880 210169994 /nfs/dbraw/zinc/16/99/94/210169994.db2.gz QQCBCXSLUMZGDD-UHFFFAOYSA-N 0 0 328.868 5.501 50 0 EKAARN CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1cccc(C)c1 ZINC000004321070 210170747 /nfs/dbraw/zinc/17/07/47/210170747.db2.gz YQKGNTDWYOMBLF-UHFFFAOYSA-N 0 0 331.525 5.398 50 0 EKAARN Fc1c(F)c(F)c2c(c1F)Oc1cc(Cl)c(Cl)cc1O2 ZINC000004321087 563645155 /nfs/dbraw/zinc/64/51/55/563645155.db2.gz UYADZKXMAKCPOA-UHFFFAOYSA-N 0 0 325.044 5.448 50 0 EKAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000004321094 210170245 /nfs/dbraw/zinc/17/02/45/210170245.db2.gz LUQFMBVWNUGYPF-QFIPXVFZSA-N 0 0 346.405 5.190 50 0 EKAARN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000004321095 210170047 /nfs/dbraw/zinc/17/00/47/210170047.db2.gz LUQFMBVWNUGYPF-JOCHJYFZSA-N 0 0 346.405 5.190 50 0 EKAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1 ZINC000004321098 210170363 /nfs/dbraw/zinc/17/03/63/210170363.db2.gz VFHSFLAMNAAVOM-NRFANRHFSA-N 0 0 346.405 5.190 50 0 EKAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1c1ccccc1 ZINC000004321100 210170446 /nfs/dbraw/zinc/17/04/46/210170446.db2.gz VFHSFLAMNAAVOM-OAQYLSRUSA-N 0 0 346.405 5.190 50 0 EKAARN CCCCCC1CCC(c2ccc(-c3ccc(CCC)cn3)cc2)CC1 ZINC000004321157 201596905 /nfs/dbraw/zinc/59/69/05/201596905.db2.gz NFBGDVUXNQUXSZ-UHFFFAOYSA-N 0 0 349.562 7.555 50 0 EKAARN Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000004321396 564117929 /nfs/dbraw/zinc/11/79/29/564117929.db2.gz VCEQUSSLRDAGJD-UHFFFAOYSA-N 0 0 345.833 5.563 50 0 EKAARN COc1ccc(/C=C/C(=O)c2ccc(Nc3ccccc3)cc2)cc1 ZINC000004321422 564057874 /nfs/dbraw/zinc/05/78/74/564057874.db2.gz PUVXRDDCSNFDEH-CXUHLZMHSA-N 0 0 329.399 5.335 50 0 EKAARN Fc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000004321499 563500046 /nfs/dbraw/zinc/50/00/46/563500046.db2.gz JJYWCZBOEDZFSM-NSFRLNINSA-N 0 0 342.417 5.847 50 0 EKAARN Fc1cccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000004321500 210170492 /nfs/dbraw/zinc/17/04/92/210170492.db2.gz JJYWCZBOEDZFSM-WOOPDLCSSA-N 0 0 342.417 5.847 50 0 EKAARN Cc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000004321631 210170817 /nfs/dbraw/zinc/17/08/17/210170817.db2.gz HKQOSRKTYKDGKI-UHFFFAOYSA-N 0 0 347.252 5.274 50 0 EKAARN Cc1ccccc1N1N=C(/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000004322628 563500076 /nfs/dbraw/zinc/50/00/76/563500076.db2.gz KFCXXEMEAFBTHW-JOPBRCQMSA-N 0 0 338.454 6.016 50 0 EKAARN Cc1ccccc1N1N=C(/C=C/c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004322629 210170315 /nfs/dbraw/zinc/17/03/15/210170315.db2.gz KFCXXEMEAFBTHW-GQRCBVMOSA-N 0 0 338.454 6.016 50 0 EKAARN O=C(Oc1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl ZINC000004323019 210170216 /nfs/dbraw/zinc/17/02/16/210170216.db2.gz HPJVLKRIWVAIPT-UHFFFAOYSA-N 0 0 336.001 5.519 50 0 EKAARN O=C(Oc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004323240 210169847 /nfs/dbraw/zinc/16/98/47/210169847.db2.gz BQWIKWHHKZSZRP-UHFFFAOYSA-N 0 0 325.235 5.115 50 0 EKAARN O=C(Oc1cc(Cl)cc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004323242 210170297 /nfs/dbraw/zinc/17/02/97/210170297.db2.gz OUQHYHYXFHWYBZ-UHFFFAOYSA-N 0 0 325.235 5.115 50 0 EKAARN Fc1cccc(Cl)c1CSc1nc2cc(Cl)ccc2s1 ZINC000004323875 210170275 /nfs/dbraw/zinc/17/02/75/210170275.db2.gz CLVWYRWFRYYWFL-UHFFFAOYSA-N 0 0 344.263 6.035 50 0 EKAARN Clc1ccc(CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000004323878 210170730 /nfs/dbraw/zinc/17/07/30/210170730.db2.gz GNNVCVTYJKRVJA-UHFFFAOYSA-N 0 0 326.273 5.895 50 0 EKAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2cc(C(C)(C)C)sc12 ZINC000004324032 210170352 /nfs/dbraw/zinc/17/03/52/210170352.db2.gz RUUSHVUYRHMUES-UHFFFAOYSA-N 0 0 347.480 5.960 50 0 EKAARN Cc1c(C(=O)Nc2ccccc2)sc2cc(C(C)(C)C)sc12 ZINC000004324041 210170578 /nfs/dbraw/zinc/17/05/78/210170578.db2.gz WHWOXPFMPBNCIF-UHFFFAOYSA-N 0 0 329.490 5.821 50 0 EKAARN Cc1c(C(=O)NCc2ccccc2)sc2cc(C(C)(C)C)sc12 ZINC000004324042 210170851 /nfs/dbraw/zinc/17/08/51/210170851.db2.gz BDZNKUJVEMVMFF-UHFFFAOYSA-N 0 0 343.517 5.499 50 0 EKAARN CC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccs1 ZINC000004324166 563500152 /nfs/dbraw/zinc/50/01/52/563500152.db2.gz RESZKSBFMZSMKN-UHFFFAOYSA-N 0 0 345.420 5.071 50 0 EKAARN Cc1cccc(Cl)c1NC(=S)Nc1c(C)cccc1Cl ZINC000004324243 210171945 /nfs/dbraw/zinc/17/19/45/210171945.db2.gz SJDXDWGCRHLOGZ-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(CC(C)C)cc1 ZINC000004324439 210171586 /nfs/dbraw/zinc/17/15/86/210171586.db2.gz KPIXBBRUFPZZOC-UHFFFAOYSA-N 0 0 341.907 6.637 50 0 EKAARN Fc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1 ZINC000004324544 210171829 /nfs/dbraw/zinc/17/18/29/210171829.db2.gz RMNBCOIFMDANCA-UHFFFAOYSA-N 0 0 340.401 5.506 50 0 EKAARN CC(C)(C)c1ccc(COc2ncnc3cc(Cl)ccc32)cc1 ZINC000004325344 210171420 /nfs/dbraw/zinc/17/14/20/210171420.db2.gz BGCUNDMTUCTIHQ-UHFFFAOYSA-N 0 0 326.827 5.160 50 0 EKAARN Cc1cc2nc(NC(=O)Cc3cccc4ccccc43)sc2c(C)c1 ZINC000004325374 210172153 /nfs/dbraw/zinc/17/21/53/210172153.db2.gz KOSGLLUHKBGDDU-UHFFFAOYSA-N 0 0 346.455 5.248 50 0 EKAARN Cc1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000004330755 210172959 /nfs/dbraw/zinc/17/29/59/210172959.db2.gz KNZVMHSHKPIACH-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1c2nc(NC(=O)c3ccc(Cl)cc3)sc2ccc1Cl ZINC000004330777 210173625 /nfs/dbraw/zinc/17/36/25/210173625.db2.gz DAABZZZYGOJBAS-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1cc(Cl)cc2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000004330778 563649234 /nfs/dbraw/zinc/64/92/34/563649234.db2.gz PUVGHLJWIGOROU-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1ccc(Cl)c2sc(NC(=O)c3ccc(Cl)cc3)nc21 ZINC000004330779 210173277 /nfs/dbraw/zinc/17/32/77/210173277.db2.gz LTSWXDPKICIUEJ-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1c2nc(NC(=O)c3cccc(Cl)c3)sc2ccc1Cl ZINC000004330797 563649260 /nfs/dbraw/zinc/64/92/60/563649260.db2.gz IQPNIRSHDSGCQJ-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1cc(Cl)cc2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000004330799 563649200 /nfs/dbraw/zinc/64/92/00/563649200.db2.gz ZLPCRUCEGUTVMC-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1ccc(Cl)c2sc(NC(=O)c3cccc(Cl)c3)nc21 ZINC000004330801 210172585 /nfs/dbraw/zinc/17/25/85/210172585.db2.gz FXOPGDZBNHZJOF-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C ZINC000004331272 210172750 /nfs/dbraw/zinc/17/27/50/210172750.db2.gz VKXIZKWSHIIODK-UHFFFAOYSA-N 0 0 336.479 5.636 50 0 EKAARN COc1ccc(C)c2sc(NC(=O)c3ccc4ccccc4c3)nc21 ZINC000004331352 210173741 /nfs/dbraw/zinc/17/37/41/210173741.db2.gz VXIYCGDOASKUGX-UHFFFAOYSA-N 0 0 348.427 5.019 50 0 EKAARN CCn1c2ccccc2c2cc(CNc3ccc4c(c3)CCC4)ccc21 ZINC000004333595 210173343 /nfs/dbraw/zinc/17/33/43/210173343.db2.gz PRJRRMQMGRHFAR-UHFFFAOYSA-N 0 0 340.470 5.915 50 0 EKAARN Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2)c(C)o1 ZINC000004334515 210173385 /nfs/dbraw/zinc/17/33/85/210173385.db2.gz SZKUDLJPNZKSED-UHFFFAOYSA-N 0 0 331.824 5.531 50 0 EKAARN CCc1ccc(C(=O)c2cnc3ccccc3c2-c2ccccc2)cc1 ZINC000004334763 210172788 /nfs/dbraw/zinc/17/27/88/210172788.db2.gz FLICFPOMGDQRBC-UHFFFAOYSA-N 0 0 337.422 5.695 50 0 EKAARN O=C(c1ccc(Cl)cc1)c1cnc2ccccc2c1-c1ccccc1 ZINC000004334764 210173768 /nfs/dbraw/zinc/17/37/68/210173768.db2.gz LFPIEYPSQCPIKJ-UHFFFAOYSA-N 0 0 343.813 5.786 50 0 EKAARN Clc1ccc(Cn2c3ccccc3c3ccccc32)c(Cl)c1 ZINC000004334905 210173773 /nfs/dbraw/zinc/17/37/73/210173773.db2.gz OCNJVZUQVYANEF-UHFFFAOYSA-N 0 0 326.226 6.150 50 0 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/nfs/dbraw/zinc/17/37/23/210173723.db2.gz SALOZEWWHKOTIL-WIYYLYMNSA-N 0 0 330.456 5.276 50 0 EKAARN c1csc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)c1 ZINC000004335026 210172867 /nfs/dbraw/zinc/17/28/67/210172867.db2.gz SALOZEWWHKOTIL-RXVVDRJESA-N 0 0 330.456 5.276 50 0 EKAARN c1csc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2ccccc2)c1 ZINC000004335027 210173608 /nfs/dbraw/zinc/17/36/08/210173608.db2.gz SALOZEWWHKOTIL-GHTZIAJQSA-N 0 0 330.456 5.276 50 0 EKAARN Oc1ccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000004335315 205704752 /nfs/dbraw/zinc/70/47/52/205704752.db2.gz JGGBPUSOUKWDPI-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN Oc1cccc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c1 ZINC000004335317 210174253 /nfs/dbraw/zinc/17/42/53/210174253.db2.gz GKTGKXMSLUYOSQ-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN O=C(c1c2ccccc2c2ccc(-c3ccccc3)oc1-2)C(F)(F)F ZINC000004335501 210174267 /nfs/dbraw/zinc/17/42/67/210174267.db2.gz SDTUTJULSQZZPM-UHFFFAOYSA-N 0 0 340.300 5.950 50 0 EKAARN Clc1ccc(-c2cc(-c3cccs3)c(-c3ccccc3)o2)cc1 ZINC000004335959 210174615 /nfs/dbraw/zinc/17/46/15/210174615.db2.gz RRBLEGILFMAPOX-UHFFFAOYSA-N 0 0 336.843 6.996 50 0 EKAARN Fc1cccc(-c2nnc(C3c4ccccc4Oc4ccccc43)o2)c1 ZINC000004335961 210174336 /nfs/dbraw/zinc/17/43/36/210174336.db2.gz RNNXBUYMSGVSBN-UHFFFAOYSA-N 0 0 344.345 5.162 50 0 EKAARN c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 ZINC000004336424 201598840 /nfs/dbraw/zinc/59/88/40/201598840.db2.gz LLPNQAWLVLRWHP-WMZHIEFXSA-N 0 0 341.479 6.217 50 0 EKAARN c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 ZINC000004336425 210174195 /nfs/dbraw/zinc/17/41/95/210174195.db2.gz LLPNQAWLVLRWHP-CVDCTZTESA-N 0 0 341.479 6.217 50 0 EKAARN c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 ZINC000004336426 563500420 /nfs/dbraw/zinc/50/04/20/563500420.db2.gz XFVZHFLPHLUWLZ-HTAPYJJXSA-N 0 0 343.451 5.663 50 0 EKAARN c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 ZINC000004336427 210174896 /nfs/dbraw/zinc/17/48/96/210174896.db2.gz XFVZHFLPHLUWLZ-JTSKRJEESA-N 0 0 343.451 5.663 50 0 EKAARN Clc1ccccc1[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000004336428 210174686 /nfs/dbraw/zinc/17/46/86/210174686.db2.gz OFZHWFSIDOELHN-NRFANRHFSA-N 0 0 349.886 6.698 50 0 EKAARN Clc1ccccc1[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000004336429 210174476 /nfs/dbraw/zinc/17/44/76/210174476.db2.gz OFZHWFSIDOELHN-OAQYLSRUSA-N 0 0 349.886 6.698 50 0 EKAARN Clc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 ZINC000004336434 563500298 /nfs/dbraw/zinc/50/02/98/563500298.db2.gz HDHUSKBIQNFZAC-NRFANRHFSA-N 0 0 349.886 6.698 50 0 EKAARN Clc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 ZINC000004336435 563500378 /nfs/dbraw/zinc/50/03/78/563500378.db2.gz HDHUSKBIQNFZAC-OAQYLSRUSA-N 0 0 349.886 6.698 50 0 EKAARN Clc1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 ZINC000004336643 210175128 /nfs/dbraw/zinc/17/51/28/210175128.db2.gz LUGMGZSJEQYYQJ-NRFANRHFSA-N 0 0 332.834 5.696 50 0 EKAARN Clc1cccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 ZINC000004336644 210174201 /nfs/dbraw/zinc/17/42/01/210174201.db2.gz LUGMGZSJEQYYQJ-OAQYLSRUSA-N 0 0 332.834 5.696 50 0 EKAARN Clc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000004336645 210175085 /nfs/dbraw/zinc/17/50/85/210175085.db2.gz XPFDBXDITJUQMV-NRFANRHFSA-N 0 0 332.834 5.696 50 0 EKAARN Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000004336646 210175120 /nfs/dbraw/zinc/17/51/20/210175120.db2.gz XPFDBXDITJUQMV-OAQYLSRUSA-N 0 0 332.834 5.696 50 0 EKAARN O=C(N(c1ccccc1)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004336695 210175041 /nfs/dbraw/zinc/17/50/41/210175041.db2.gz JCLPRSCJHIUKCG-UHFFFAOYSA-N 0 0 349.449 5.707 50 0 EKAARN N=C1N=NC(c2ccccc2)=CS/C1=C\c1ccc(Cl)cc1 ZINC000004338611 210174622 /nfs/dbraw/zinc/17/46/22/210174622.db2.gz DEPVSAHYUIIKBD-DJDDPJKISA-N 0 0 325.824 5.856 50 0 EKAARN Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1-c1ccccc1 ZINC000004340360 210175954 /nfs/dbraw/zinc/17/59/54/210175954.db2.gz NZPXDMQJDKGENK-UHFFFAOYSA-N 0 0 342.394 5.347 50 0 EKAARN Cc1c2cc(OCc3ccccc3)ccc2oc(=O)c1-c1ccccc1 ZINC000004340747 210175561 /nfs/dbraw/zinc/17/55/61/210175561.db2.gz 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/nfs/dbraw/zinc/17/59/76/210175976.db2.gz SFTIRRHUYMDLOA-LALPHHSUSA-N 0 0 328.283 5.184 50 0 EKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000004343254 210176522 /nfs/dbraw/zinc/17/65/22/210176522.db2.gz SFTIRRHUYMDLOA-TYNCELHUSA-N 0 0 328.283 5.184 50 0 EKAARN Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 ZINC000004343891 563500899 /nfs/dbraw/zinc/50/08/99/563500899.db2.gz KTCIGXWPPXJRKO-WMZHIEFXSA-N 0 0 341.479 6.135 50 0 EKAARN Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 ZINC000004343893 563500873 /nfs/dbraw/zinc/50/08/73/563500873.db2.gz KTCIGXWPPXJRKO-CVDCTZTESA-N 0 0 341.479 6.135 50 0 EKAARN Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 ZINC000004343896 210175593 /nfs/dbraw/zinc/17/55/93/210175593.db2.gz VYWPAGOMPDXGNG-PGRDOPGGSA-N 0 0 345.442 5.966 50 0 EKAARN Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 ZINC000004343899 210175373 /nfs/dbraw/zinc/17/53/73/210175373.db2.gz VYWPAGOMPDXGNG-AVRDEDQJSA-N 0 0 345.442 5.966 50 0 EKAARN Cc1cccc(Nc2nc3ccccc3nc2/C=C/c2cccs2)c1 ZINC000004344089 563500896 /nfs/dbraw/zinc/50/08/96/563500896.db2.gz SFYSCHRNSFLLPP-VAWYXSNFSA-N 0 0 343.455 5.914 50 0 EKAARN Clc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1 ZINC000004344507 210176181 /nfs/dbraw/zinc/17/61/81/210176181.db2.gz WHDZQEONHSHILX-SFHVURJKSA-N 0 0 338.863 5.757 50 0 EKAARN Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000004344508 210175627 /nfs/dbraw/zinc/17/56/27/210175627.db2.gz WHDZQEONHSHILX-GOSISDBHSA-N 0 0 338.863 5.757 50 0 EKAARN CC(C)c1ccc(Nc2c(Nc3ccc(C(C)C)cc3)c(=O)c2=O)cc1 ZINC000004347661 210178061 /nfs/dbraw/zinc/17/80/61/210178061.db2.gz RCJHCABQHOXXCH-UHFFFAOYSA-N 0 0 348.446 5.017 50 0 EKAARN c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2CCC3)cc1 ZINC000004347791 210177005 /nfs/dbraw/zinc/17/70/05/210177005.db2.gz OOGURHINSFEIIT-UHFFFAOYSA-N 0 0 347.461 6.571 50 0 EKAARN Oc1cccc2ccc(/C=C/c3ccc(OC4CCCC4)cc3)nc12 ZINC000004349522 563501110 /nfs/dbraw/zinc/50/11/10/563501110.db2.gz AIQRXNDHSOVNJM-XYOKQWHBSA-N 0 0 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CSc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000004517663 210211266 /nfs/dbraw/zinc/21/12/66/210211266.db2.gz QQFRHDJXBPVJET-UHFFFAOYSA-N 0 0 335.428 5.453 50 0 EKAARN CCC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000004522629 210214081 /nfs/dbraw/zinc/21/40/81/210214081.db2.gz YARBFYRWDBILJF-UHFFFAOYSA-N 0 0 345.398 5.616 50 0 EKAARN CCCCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000004524192 210213884 /nfs/dbraw/zinc/21/38/84/210213884.db2.gz TZEGVOFTJMDEON-UHFFFAOYSA-N 0 0 332.399 5.857 50 0 EKAARN Cc1ccc2nc(-c3ccc(NC(=O)CC(C)(C)C)cc3)sc2c1 ZINC000004524770 210213630 /nfs/dbraw/zinc/21/36/30/210213630.db2.gz GTGKEUSKUKJSAK-UHFFFAOYSA-N 0 0 338.476 5.646 50 0 EKAARN Cc1ccc(C2(c3ccc(C)cc3)SC(=S)c3ccccc32)cc1 ZINC000004525421 210213206 /nfs/dbraw/zinc/21/32/06/210213206.db2.gz WGWBDUXZINPITL-UHFFFAOYSA-N 0 0 346.520 6.018 50 0 EKAARN C[C@H](C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004529672 210214536 /nfs/dbraw/zinc/21/45/36/210214536.db2.gz XCVBREXJNRYOBA-PGRDOPGGSA-N 0 0 342.438 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/nfs/dbraw/zinc/50/43/50/563504350.db2.gz MTDFIXMQYCMNLU-QHCPKHFHSA-N 0 0 344.841 5.777 50 0 EKAARN OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc21 ZINC000004530535 210215332 /nfs/dbraw/zinc/21/53/32/210215332.db2.gz ZCDSEQDMFSDSAL-UHFFFAOYSA-N 0 0 334.418 5.618 50 0 EKAARN Clc1cccc(Cl)c1N=P1(N2CC2)Oc2ccccc2O1 ZINC000004530622 210215402 /nfs/dbraw/zinc/21/54/02/210215402.db2.gz USOHGYLATZKINN-UHFFFAOYSA-N 0 0 341.134 5.358 50 0 EKAARN O=P(Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000004530667 210214987 /nfs/dbraw/zinc/21/49/87/210214987.db2.gz FZNQHYXSPNEFAI-UHFFFAOYSA-N 0 0 325.304 5.365 50 0 EKAARN CC1(C)/C(=C/c2ccccc2)N=NC1(c1ccccc1)c1ccccc1 ZINC000004532642 563504725 /nfs/dbraw/zinc/50/47/25/563504725.db2.gz ALBQNYNTBISNBT-PYCFMQQDSA-N 0 0 338.454 6.463 50 0 EKAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004532980 564062649 /nfs/dbraw/zinc/06/26/49/564062649.db2.gz HCGWHJRCLCRJFR-USGDIRTKSA-N 0 0 330.512 5.194 50 0 EKAARN O=C1CCCCCCCCCCCc2ccc(cc2)Cc2ccc1cc2 ZINC000004533381 564062675 /nfs/dbraw/zinc/06/26/75/564062675.db2.gz RXTZNEOGTUPVFY-UHFFFAOYSA-N 0 0 348.530 6.917 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC ZINC000004533786 210215410 /nfs/dbraw/zinc/21/54/10/210215410.db2.gz FVYDLXGAUHZBJE-GKFVBPDJSA-N 0 0 346.555 7.085 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC ZINC000004534005 210214641 /nfs/dbraw/zinc/21/46/41/210214641.db2.gz SNXPWYFWAZVIAU-GKFVBPDJSA-N 0 0 332.528 6.695 50 0 in-vitro EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)=O ZINC000004534042 210215089 /nfs/dbraw/zinc/21/50/89/210215089.db2.gz RKNFFTAYULCRTQ-ZKWNWVNESA-N 0 0 332.528 6.695 50 0 EKAARN O=C(Nc1ccccc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000004536077 201604651 /nfs/dbraw/zinc/60/46/51/201604651.db2.gz GSYXYYGSJXYENU-UHFFFAOYSA-N 0 0 331.293 5.218 50 0 EKAARN CCc1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 ZINC000004538946 210216762 /nfs/dbraw/zinc/21/67/62/210216762.db2.gz PXFYEWXFYJTMRS-UHFFFAOYSA-N 0 0 337.444 5.387 50 0 EKAARN Fc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000004539308 210216796 /nfs/dbraw/zinc/21/67/96/210216796.db2.gz UDBWRWHAKUGAPG-UHFFFAOYSA-N 0 0 326.374 5.617 50 0 EKAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000004539845 210216659 /nfs/dbraw/zinc/21/66/59/210216659.db2.gz FZAXODRQJOVCAE-MFKMUULPSA-N 0 0 338.234 5.281 50 0 EKAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000004539846 210216964 /nfs/dbraw/zinc/21/69/64/210216964.db2.gz FZAXODRQJOVCAE-GWCFXTLKSA-N 0 0 338.234 5.281 50 0 EKAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000004539848 210215963 /nfs/dbraw/zinc/21/59/63/210215963.db2.gz FZAXODRQJOVCAE-ZWNOBZJWSA-N 0 0 338.234 5.281 50 0 EKAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000004539849 210216774 /nfs/dbraw/zinc/21/67/74/210216774.db2.gz FZAXODRQJOVCAE-GXFFZTMASA-N 0 0 338.234 5.281 50 0 EKAARN CC1(C)CCCC(C)(C)N1c1cc(-c2ccccc2)nc2ccccc21 ZINC000004541728 210216054 /nfs/dbraw/zinc/21/60/54/210216054.db2.gz QCMSMBVXIBSDNZ-UHFFFAOYSA-N 0 0 344.502 6.449 50 0 EKAARN CC(C)(C)c1ccc(-c2cc(-n3cccc3)c3ccccc3n2)cc1 ZINC000004541754 210216151 /nfs/dbraw/zinc/21/61/51/210216151.db2.gz HVBHVQFYNAMMKM-UHFFFAOYSA-N 0 0 326.443 5.990 50 0 EKAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 ZINC000004541796 564093110 /nfs/dbraw/zinc/09/31/10/564093110.db2.gz DDPMADPAAZCSOY-UHFFFAOYSA-N 0 0 325.795 5.171 50 0 EKAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 ZINC000004541806 210216514 /nfs/dbraw/zinc/21/65/14/210216514.db2.gz QQZMKWMLFUHVSM-UHFFFAOYSA-N 0 0 343.785 5.310 50 0 EKAARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F ZINC000004541809 210216235 /nfs/dbraw/zinc/21/62/35/210216235.db2.gz XYIBRURNHGNQDV-UHFFFAOYSA-N 0 0 343.785 5.310 50 0 EKAARN Cc1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004541816 210216792 /nfs/dbraw/zinc/21/67/92/210216792.db2.gz CQXXKGTVDQDXQT-UHFFFAOYSA-N 0 0 339.822 5.480 50 0 EKAARN Cc1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004541820 210216576 /nfs/dbraw/zinc/21/65/76/210216576.db2.gz LJEMNJWVWOWLMV-UHFFFAOYSA-N 0 0 339.822 5.480 50 0 EKAARN Cc1cccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000004541825 210215934 /nfs/dbraw/zinc/21/59/34/210215934.db2.gz QSDANHRGOJYGLJ-UHFFFAOYSA-N 0 0 339.822 5.480 50 0 EKAARN O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1 ZINC000004541861 210216916 /nfs/dbraw/zinc/21/69/16/210216916.db2.gz MGAAOQMCQNSBOO-UHFFFAOYSA-N 0 0 325.795 5.171 50 0 EKAARN Cc1ccccc1NC(=O)CCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004541865 210216867 /nfs/dbraw/zinc/21/68/67/210216867.db2.gz ZMMWTROODHDIGN-UHFFFAOYSA-N 0 0 339.822 5.480 50 0 EKAARN Cc1cccc(NC(=O)CCc2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000004541872 210216168 /nfs/dbraw/zinc/21/61/68/210216168.db2.gz ORQJUHCYSDLEBR-UHFFFAOYSA-N 0 0 339.822 5.480 50 0 EKAARN O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1F ZINC000004541873 210216827 /nfs/dbraw/zinc/21/68/27/210216827.db2.gz ZGMAUMCWYCUYQC-UHFFFAOYSA-N 0 0 343.785 5.310 50 0 EKAARN O=C(CCc1ccc(-c2cccc(Cl)c2)o1)Nc1ccc(F)cc1 ZINC000004541875 210216317 /nfs/dbraw/zinc/21/63/17/210216317.db2.gz OIWGTJAFEJDXAN-UHFFFAOYSA-N 0 0 343.785 5.310 50 0 EKAARN Cc1noc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 ZINC000004541881 564093150 /nfs/dbraw/zinc/09/31/50/564093150.db2.gz POIIXVAOLCUFPN-UHFFFAOYSA-N 0 0 328.293 5.370 50 0 EKAARN O=C(Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000004542011 210217450 /nfs/dbraw/zinc/21/74/50/210217450.db2.gz BWXJKJFHROIYGE-UHFFFAOYSA-N 0 0 331.293 5.218 50 0 EKAARN O=C(Nc1ccccc1Cl)c1ccc(-c2ccccc2Cl)o1 ZINC000004542022 201605638 /nfs/dbraw/zinc/60/56/38/201605638.db2.gz XGYSIVAQKAUIOD-UHFFFAOYSA-N 0 0 332.186 5.506 50 0 EKAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000004542025 210217646 /nfs/dbraw/zinc/21/76/46/210217646.db2.gz XKWAXOGELRRYCN-UHFFFAOYSA-N 0 0 332.186 5.506 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl ZINC000004542030 210218350 /nfs/dbraw/zinc/21/83/50/210218350.db2.gz SLEZFMRMPWINNI-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542033 210218027 /nfs/dbraw/zinc/21/80/27/210218027.db2.gz VYABCRNHUWJXID-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN CC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542035 210217465 /nfs/dbraw/zinc/21/74/65/210217465.db2.gz AOOOZCILSDOMJZ-UHFFFAOYSA-N 0 0 339.822 5.976 50 0 EKAARN CCc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542038 210218250 /nfs/dbraw/zinc/21/82/50/210218250.db2.gz QNQKOKRWMCJFDL-UHFFFAOYSA-N 0 0 325.795 5.415 50 0 EKAARN COc1ccc(C)cc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542039 210217909 /nfs/dbraw/zinc/21/79/09/210217909.db2.gz FFGAVXDBOWIWAV-UHFFFAOYSA-N 0 0 341.794 5.169 50 0 EKAARN CCCCc1ccc(NC(=O)CCc2ccc(OC)c(Cl)c2)cc1 ZINC000004542043 210218432 /nfs/dbraw/zinc/21/84/32/210218432.db2.gz OMZHSPZHWNKEGO-UHFFFAOYSA-N 0 0 345.870 5.263 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000004542045 210217330 /nfs/dbraw/zinc/21/73/30/210217330.db2.gz MMFZJJLKIUUIHO-UHFFFAOYSA-N 0 0 345.320 5.526 50 0 EKAARN CCc1cccc(CC)c1NC(=O)CCc1ccc(OC)c(Cl)c1 ZINC000004542050 210218050 /nfs/dbraw/zinc/21/80/50/210218050.db2.gz CQTHOFZNDYWDAM-UHFFFAOYSA-N 0 0 345.870 5.045 50 0 EKAARN COc1ccc(CCC(=O)Nc2ccccc2C(C)C)cc1Cl ZINC000004542061 210218475 /nfs/dbraw/zinc/21/84/75/210218475.db2.gz WGVNIBBSXWURMT-UHFFFAOYSA-N 0 0 331.843 5.043 50 0 EKAARN CCc1cccc(C)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542077 210217521 /nfs/dbraw/zinc/21/75/21/210217521.db2.gz UILLTSOXGWBAMB-OUKQBFOZSA-N 0 0 347.483 5.938 50 0 EKAARN COc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542081 210217688 /nfs/dbraw/zinc/21/76/88/210217688.db2.gz QMAAREOPJRSFCX-VAWYXSNFSA-N 0 0 335.428 5.076 50 0 EKAARN Cc1ccc(C)c(NC(=O)/C=C/c2cc(-c3ccccc3)cs2)c1 ZINC000004542082 210218385 /nfs/dbraw/zinc/21/83/85/210218385.db2.gz UDYUUPUOCJHXMO-ZHACJKMWSA-N 0 0 333.456 5.684 50 0 EKAARN Cc1cccc(C)c1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542083 210218009 /nfs/dbraw/zinc/21/80/09/210218009.db2.gz WBWDACUJDACKQW-VAWYXSNFSA-N 0 0 333.456 5.684 50 0 EKAARN CCOc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542087 210217693 /nfs/dbraw/zinc/21/76/93/210217693.db2.gz XLEPPNZHRFIVDF-OUKQBFOZSA-N 0 0 349.455 5.466 50 0 EKAARN CCc1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542088 210217531 /nfs/dbraw/zinc/21/75/31/210217531.db2.gz NRZJVQLJKJENIS-OUKQBFOZSA-N 0 0 333.456 5.629 50 0 EKAARN O=C(/C=C/c1cc(-c2ccccc2)cs1)Nc1cccc(Cl)c1 ZINC000004542090 210217664 /nfs/dbraw/zinc/21/76/64/210217664.db2.gz BCBPKFKEKOTBGO-MDZDMXLPSA-N 0 0 339.847 5.720 50 0 EKAARN CC(C)c1ccccc1NC(=O)/C=C/c1cc(-c2ccccc2)cs1 ZINC000004542098 210218461 /nfs/dbraw/zinc/21/84/61/210218461.db2.gz TZPXJWVOCKVESO-OUKQBFOZSA-N 0 0 347.483 6.190 50 0 EKAARN Cc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 ZINC000004542121 210217802 /nfs/dbraw/zinc/21/78/02/210217802.db2.gz XFVDCKRWFHQVQD-ZRDIBKRKSA-N 0 0 337.806 5.560 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1F ZINC000004542168 210217376 /nfs/dbraw/zinc/21/73/76/210217376.db2.gz HEQFOQMDGSTZQW-ZRDIBKRKSA-N 0 0 341.769 5.391 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(F)cc1 ZINC000004542169 210217543 /nfs/dbraw/zinc/21/75/43/210217543.db2.gz RBJSESNVJRKLPW-ZRDIBKRKSA-N 0 0 341.769 5.391 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542194 210218123 /nfs/dbraw/zinc/21/81/23/210218123.db2.gz ZRZCWLLLILAUDJ-UHFFFAOYSA-N 0 0 339.822 5.723 50 0 EKAARN O=C(Nc1cccc(Cl)c1)c1c2ccccc2nc2c1CCCC2 ZINC000004542246 210218106 /nfs/dbraw/zinc/21/81/06/210218106.db2.gz XNIIUQBYNSVWCO-UHFFFAOYSA-N 0 0 336.822 5.019 50 0 EKAARN O=C(Nc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004542307 210217654 /nfs/dbraw/zinc/21/76/54/210217654.db2.gz FCSLACXMLJUADJ-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1Cc1ccccc1 ZINC000004542310 210218314 /nfs/dbraw/zinc/21/83/14/210218314.db2.gz WPAAVQMINRFRGN-UHFFFAOYSA-N 0 0 336.822 5.575 50 0 EKAARN Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000004542360 210218378 /nfs/dbraw/zinc/21/83/78/210218378.db2.gz JEBMJBDJYUYYIC-UHFFFAOYSA-N 0 0 329.614 5.599 50 0 EKAARN Cc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1Cl ZINC000004542363 210217839 /nfs/dbraw/zinc/21/78/39/210217839.db2.gz CMEMCWLJYPVWSY-UHFFFAOYSA-N 0 0 344.886 6.539 50 0 EKAARN Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)(C)C)cc1Cl ZINC000004542365 564076026 /nfs/dbraw/zinc/07/60/26/564076026.db2.gz GVYLJPRNTJZWCZ-UHFFFAOYSA-N 0 0 330.859 5.481 50 0 EKAARN Cc1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000004542384 210218116 /nfs/dbraw/zinc/21/81/16/210218116.db2.gz ROEWXNCKIIUNMX-UHFFFAOYSA-N 0 0 342.870 5.135 50 0 EKAARN CC(C)(C)c1ccc(Cn2ccc3ccc(Cl)cc3c2=O)cc1 ZINC000004542429 210217660 /nfs/dbraw/zinc/21/76/60/210217660.db2.gz RZWSUERLDBOHOR-UHFFFAOYSA-N 0 0 325.839 5.001 50 0 EKAARN COc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004542471 201606392 /nfs/dbraw/zinc/60/63/92/201606392.db2.gz JGAYVGGTBYDENO-UHFFFAOYSA-N 0 0 344.720 5.011 50 0 EKAARN Cc1cccc(NC(=O)c2sc3ccccc3c2Br)c1 ZINC000004542602 210217852 /nfs/dbraw/zinc/21/78/52/210217852.db2.gz UWDXCDUCUWHXDL-UHFFFAOYSA-N 0 0 346.249 5.225 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C)c1 ZINC000004542681 201605894 /nfs/dbraw/zinc/60/58/94/201605894.db2.gz QANXAFKGEKCNFX-UHFFFAOYSA-N 0 0 325.795 5.469 50 0 EKAARN CCCCc1ccc(NC(=O)/C=C/c2cccc(OC)c2Cl)cc1 ZINC000004542734 210218172 /nfs/dbraw/zinc/21/81/72/210218172.db2.gz VRUBGHTVHINNJZ-SDNWHVSQSA-N 0 0 343.854 5.343 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542742 210217807 /nfs/dbraw/zinc/21/78/07/210217807.db2.gz RFOZNWQYHNUUAE-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000004542743 210217790 /nfs/dbraw/zinc/21/77/90/210217790.db2.gz CXTVDCSQOLPADG-UHFFFAOYSA-N 0 0 333.721 5.131 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 ZINC000004542744 210217903 /nfs/dbraw/zinc/21/79/03/210217903.db2.gz ZUNREGWEPRDMGP-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN CCCCc1ccc(NC(=O)CCc2cccc(OC)c2Cl)cc1 ZINC000004542810 210217403 /nfs/dbraw/zinc/21/74/03/210217403.db2.gz UMQYBVDQAZGOID-UHFFFAOYSA-N 0 0 345.870 5.263 50 0 EKAARN O=C(/C=C/c1cccc(F)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004542920 210217381 /nfs/dbraw/zinc/21/73/81/210217381.db2.gz OQKGCAPMMOKHFB-NTEUORMPSA-N 0 0 333.362 5.270 50 0 EKAARN O=C(Nc1cccc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000004543101 210218463 /nfs/dbraw/zinc/21/84/63/210218463.db2.gz LDLWWGWZXFKICQ-UHFFFAOYSA-N 0 0 344.458 5.326 50 0 EKAARN CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000004543194 564093136 /nfs/dbraw/zinc/09/31/36/564093136.db2.gz XTRVDNZLDKNEDJ-UHFFFAOYSA-N 0 0 345.773 5.333 50 0 EKAARN Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000004543197 210217599 /nfs/dbraw/zinc/21/75/99/210217599.db2.gz NDGIKEYIJKAFEF-ACCUITESSA-N 0 0 337.806 5.560 50 0 EKAARN CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000004543207 210218405 /nfs/dbraw/zinc/21/84/05/210218405.db2.gz YHYQAKRWXUATCG-UHFFFAOYSA-N 0 0 339.479 5.418 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC ZINC000004543722 563504704 /nfs/dbraw/zinc/50/47/04/563504704.db2.gz ABGHYAFHPINIHF-ZKWNWVNESA-N 0 0 346.555 7.085 50 0 EKAARN Cc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000004543740 210219341 /nfs/dbraw/zinc/21/93/41/210219341.db2.gz WETNZWMEWIFTQS-XDJHFCHBSA-N 0 0 347.845 5.828 50 0 EKAARN CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC ZINC000004543755 563505034 /nfs/dbraw/zinc/50/50/34/563505034.db2.gz RXNIYBHTXVTSAK-YSTUJMKBSA-N 0 0 348.571 7.309 50 0 in-vitro EKAARN CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC ZINC000004544356 563505041 /nfs/dbraw/zinc/50/50/41/563505041.db2.gz PYVCCFLKWCNDQZ-MURFETPASA-N 0 0 336.560 7.143 50 0 EKAARN CSc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000004544898 210218742 /nfs/dbraw/zinc/21/87/42/210218742.db2.gz JPHJTNSNOIQSJO-SOFGYWHQSA-N 0 0 338.259 5.367 50 0 EKAARN CCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(N)=O ZINC000004545055 210218720 /nfs/dbraw/zinc/21/87/20/210218720.db2.gz GPJOCTSYUYFQBP-GOSISDBHSA-N 0 0 333.516 5.095 50 0 EKAARN CC(C)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000004545274 210219688 /nfs/dbraw/zinc/21/96/88/210219688.db2.gz PNSYGTPWZZAVSV-UHFFFAOYSA-N 0 0 339.822 5.976 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000004545382 210219377 /nfs/dbraw/zinc/21/93/77/210219377.db2.gz MHJDMAARMBFEJA-HWPZZCPQSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000004545383 210218675 /nfs/dbraw/zinc/21/86/75/210218675.db2.gz MHJDMAARMBFEJA-QFYYESIMSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000004545384 563763836 /nfs/dbraw/zinc/76/38/36/563763836.db2.gz MHJDMAARMBFEJA-QLJPJBMISA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000004545385 210218731 /nfs/dbraw/zinc/21/87/31/210218731.db2.gz MHJDMAARMBFEJA-MGPLVRAMSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000004545386 210219610 /nfs/dbraw/zinc/21/96/10/210219610.db2.gz DHNIILAORDDCBP-HWPZZCPQSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000004545387 201606345 /nfs/dbraw/zinc/60/63/45/201606345.db2.gz DHNIILAORDDCBP-QFYYESIMSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000004545388 210219268 /nfs/dbraw/zinc/21/92/68/210219268.db2.gz DHNIILAORDDCBP-QLJPJBMISA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000004545389 210219654 /nfs/dbraw/zinc/21/96/54/210219654.db2.gz DHNIILAORDDCBP-MGPLVRAMSA-N 0 0 346.883 5.345 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1 ZINC000004545442 210219666 /nfs/dbraw/zinc/21/96/66/210219666.db2.gz DAUMQCRQHARPAL-IUJLQVPDSA-N 0 0 338.476 5.033 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1 ZINC000004545443 210219273 /nfs/dbraw/zinc/21/92/73/210219273.db2.gz DAUMQCRQHARPAL-WZMLOTFKSA-N 0 0 338.476 5.033 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 ZINC000004545444 563763769 /nfs/dbraw/zinc/76/37/69/563763769.db2.gz DAUMQCRQHARPAL-GGSKKDJASA-N 0 0 338.476 5.033 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 ZINC000004545445 210219480 /nfs/dbraw/zinc/21/94/80/210219480.db2.gz DAUMQCRQHARPAL-ACCNSPFPSA-N 0 0 338.476 5.033 50 0 EKAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000004545821 210219168 /nfs/dbraw/zinc/21/91/68/210219168.db2.gz KJQNLWHTFDYVJB-RMKNXTFCSA-N 0 0 348.273 5.943 50 0 EKAARN CCCCCC[C@H](O)CCCCCCCCCCC(=O)OCC ZINC000004546843 563505037 /nfs/dbraw/zinc/50/50/37/563505037.db2.gz FAUQJFRSOKONGU-IBGZPJMESA-N 0 0 328.537 5.782 50 0 EKAARN CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OCC ZINC000004546847 210219585 /nfs/dbraw/zinc/21/95/85/210219585.db2.gz FAUQJFRSOKONGU-LJQANCHMSA-N 0 0 328.537 5.782 50 0 EKAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Cl ZINC000004548697 210218920 /nfs/dbraw/zinc/21/89/20/210218920.db2.gz KDMUVDWBKRQJHL-JTQLQIEISA-N 0 0 334.803 5.382 50 0 EKAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Cl ZINC000004548699 210219137 /nfs/dbraw/zinc/21/91/37/210219137.db2.gz KDMUVDWBKRQJHL-SNVBAGLBSA-N 0 0 334.803 5.382 50 0 EKAARN Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1C ZINC000004549311 563764486 /nfs/dbraw/zinc/76/44/86/563764486.db2.gz RGTMDMVDOKGQGY-UHFFFAOYSA-N 0 0 346.430 5.065 50 0 EKAARN CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(Cl)cc1 ZINC000004550371 563765061 /nfs/dbraw/zinc/76/50/61/563765061.db2.gz MBDRMAIQQSSSQS-UHFFFAOYSA-N 0 0 346.839 5.261 50 0 EKAARN CCCCN1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 ZINC000004550475 563767270 /nfs/dbraw/zinc/76/72/70/563767270.db2.gz GLIAQFCWWBOYQJ-KRWDZBQOSA-N 0 0 348.368 5.072 50 0 EKAARN CCCCN1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 ZINC000004550476 563767260 /nfs/dbraw/zinc/76/72/60/563767260.db2.gz GLIAQFCWWBOYQJ-QGZVFWFLSA-N 0 0 348.368 5.072 50 0 EKAARN c1c(-c2ccccc2)nn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000004551625 563505064 /nfs/dbraw/zinc/50/50/64/563505064.db2.gz PCZVZFBNBDNNBN-UHFFFAOYSA-N 0 0 347.421 5.730 50 0 EKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000004553414 563777594 /nfs/dbraw/zinc/77/75/94/563777594.db2.gz GOAGNGBAMUIQJP-BZNIZROVSA-N 0 0 344.480 5.311 50 0 EKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccco2)N3)C1 ZINC000004553415 258051007 /nfs/dbraw/zinc/05/10/07/258051007.db2.gz GOAGNGBAMUIQJP-ZBEGNZNMSA-N 0 0 344.480 5.311 50 0 EKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004553416 563777928 /nfs/dbraw/zinc/77/79/28/563777928.db2.gz GOAGNGBAMUIQJP-BDJLRTHQSA-N 0 0 344.480 5.311 50 0 EKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccco2)N3)C1 ZINC000004553417 563778014 /nfs/dbraw/zinc/77/80/14/563778014.db2.gz GOAGNGBAMUIQJP-MEDUHNTESA-N 0 0 344.480 5.311 50 0 EKAARN Cc1cccc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C ZINC000004554173 563505351 /nfs/dbraw/zinc/50/53/51/563505351.db2.gz XPJMVSPFEPUUAL-OUKQBFOZSA-N 0 0 333.387 5.341 50 0 EKAARN CCCOC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 ZINC000004554521 210220339 /nfs/dbraw/zinc/22/03/39/210220339.db2.gz BSUQQQMSAZHJEK-UHFFFAOYSA-N 0 0 345.851 5.492 50 0 EKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccco1 ZINC000004554525 210220022 /nfs/dbraw/zinc/22/00/22/210220022.db2.gz RNAYSAINRCMFJP-UHFFFAOYSA-N 0 0 334.400 5.117 50 0 EKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc[nH]2)N3)C1 ZINC000004554575 210221095 /nfs/dbraw/zinc/22/10/95/210221095.db2.gz RJOQLVBDKJFCIO-BZNIZROVSA-N 0 0 343.496 5.046 50 0 EKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc[nH]2)N3)C1 ZINC000004554576 210220345 /nfs/dbraw/zinc/22/03/45/210220345.db2.gz RJOQLVBDKJFCIO-ZBEGNZNMSA-N 0 0 343.496 5.046 50 0 EKAARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc[nH]2)N3)C1 ZINC000004554577 210220922 /nfs/dbraw/zinc/22/09/22/210220922.db2.gz RJOQLVBDKJFCIO-BDJLRTHQSA-N 0 0 343.496 5.046 50 0 EKAARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc[nH]2)N3)C1 ZINC000004554578 210220867 /nfs/dbraw/zinc/22/08/67/210220867.db2.gz RJOQLVBDKJFCIO-MEDUHNTESA-N 0 0 343.496 5.046 50 0 EKAARN CCCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000004554933 210221006 /nfs/dbraw/zinc/22/10/06/210221006.db2.gz FBUAVSRTRONMJJ-UHFFFAOYSA-N 0 0 344.867 5.745 50 0 EKAARN CC(C)CC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000004554934 210220972 /nfs/dbraw/zinc/22/09/72/210220972.db2.gz MIKLGDUMKYEGOJ-UHFFFAOYSA-N 0 0 344.867 5.601 50 0 EKAARN Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(C)c1 ZINC000004555070 210220749 /nfs/dbraw/zinc/22/07/49/210220749.db2.gz FJGQHJKOJLAUDE-UHFFFAOYSA-N 0 0 330.840 5.127 50 0 EKAARN O=C(Nc1ccccc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000004555387 210221067 /nfs/dbraw/zinc/22/10/67/210221067.db2.gz KFCMNQMNKDJJOS-UHFFFAOYSA-N 0 0 326.783 5.172 50 0 EKAARN O=C(Nc1cccc(Cl)c1)N(Cc1cccs1)C1CCCC1 ZINC000004556371 210220279 /nfs/dbraw/zinc/22/02/79/210220279.db2.gz BLDDWRASWAGJKM-UHFFFAOYSA-N 0 0 334.872 5.378 50 0 EKAARN COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004557306 210221106 /nfs/dbraw/zinc/22/11/06/210221106.db2.gz IVYJDHSKZZIVBQ-UHFFFAOYSA-N 0 0 327.383 5.684 50 0 EKAARN Brc1cccc2c3cccc(Br)c3oc21 ZINC000004557336 563505258 /nfs/dbraw/zinc/50/52/58/563505258.db2.gz XSJLDNSNUICSQC-UHFFFAOYSA-N 0 0 325.987 5.111 50 0 EKAARN c1ccc2c(c1)oc1c2cccc1-c1cccc2c3ccccc3oc21 ZINC000004557337 210220531 /nfs/dbraw/zinc/22/05/31/210220531.db2.gz OLRNOAOQGXMHHZ-UHFFFAOYSA-N 0 0 334.374 7.152 50 0 EKAARN Cc1c(C)c2c(C)c(C)c1CSCc1cccc(n1)CSC2 ZINC000004558684 210220658 /nfs/dbraw/zinc/22/06/58/210220658.db2.gz VSOUZSVKRXQFFM-UHFFFAOYSA-N 0 0 329.534 5.495 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000004560666 563780776 /nfs/dbraw/zinc/78/07/76/563780776.db2.gz XCLCGFZLQIJTCJ-UHFFFAOYSA-N 0 0 345.486 5.715 50 0 EKAARN Cc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004560668 563780717 /nfs/dbraw/zinc/78/07/17/563780717.db2.gz BADHIMLQGZHDBC-UHFFFAOYSA-N 0 0 345.486 5.715 50 0 EKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1F ZINC000004560688 563780690 /nfs/dbraw/zinc/78/06/90/563780690.db2.gz XKWLNHBSPDDXEF-UHFFFAOYSA-N 0 0 349.449 5.546 50 0 EKAARN CCOc1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 ZINC000004561753 210222040 /nfs/dbraw/zinc/22/20/40/210222040.db2.gz SGSBCDHQLCZJHA-UHFFFAOYSA-N 0 0 344.458 5.111 50 0 EKAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1-c1ccccc1 ZINC000004564080 210221973 /nfs/dbraw/zinc/22/19/73/210221973.db2.gz ULLDGTWNBHVZKI-UHFFFAOYSA-N 0 0 337.419 5.224 50 0 EKAARN COc1cc(C2SCCCS2)ccc1OCc1ccccc1 ZINC000004566038 564093147 /nfs/dbraw/zinc/09/31/47/564093147.db2.gz RFHQMIDUVXKSTF-UHFFFAOYSA-N 0 0 332.490 5.143 50 0 EKAARN Cc1ccc(-c2nn(-c3ccccc3)c(=S)c3ccccc32)cc1 ZINC000004566538 210221587 /nfs/dbraw/zinc/22/15/87/210221587.db2.gz ZFDNZBILNDWULU-UHFFFAOYSA-N 0 0 328.440 5.730 50 0 EKAARN Clc1ccc(N2N=C(c3cccnc3)C[C@H]2c2ccccc2)cc1 ZINC000004566927 210222007 /nfs/dbraw/zinc/22/20/07/210222007.db2.gz YGDOFBGASCTWFH-FQEVSTJZSA-N 0 0 333.822 5.091 50 0 EKAARN Clc1ccc(N2N=C(c3cccnc3)C[C@@H]2c2ccccc2)cc1 ZINC000004566928 210221675 /nfs/dbraw/zinc/22/16/75/210221675.db2.gz YGDOFBGASCTWFH-HXUWFJFHSA-N 0 0 333.822 5.091 50 0 EKAARN c1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1 ZINC000004567373 210223738 /nfs/dbraw/zinc/22/37/38/210223738.db2.gz UPCXPYPKHNTCAE-FCQUAONHSA-N 0 0 342.467 5.497 50 0 EKAARN CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(C)c(Cl)c1 ZINC000004567908 210223990 /nfs/dbraw/zinc/22/39/90/210223990.db2.gz ZPJNCCLZUYETRR-UZYVYHOESA-N 0 0 346.858 5.570 50 0 EKAARN O=C(c1ccccc1)c1cnc2cc(Cl)ccc2c1-c1ccccc1 ZINC000004568132 210222854 /nfs/dbraw/zinc/22/28/54/210222854.db2.gz XWSUCUJRCKLHFM-UHFFFAOYSA-N 0 0 343.813 5.786 50 0 EKAARN CCCOc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000004568539 210223468 /nfs/dbraw/zinc/22/34/68/210223468.db2.gz GZTSSTVZDRRVRC-UHFFFAOYSA-N 0 0 345.398 5.627 50 0 EKAARN O=C1CCCCCC2CCC(CCCCCCc3ccc1cc3)CC2 ZINC000004568804 210223323 /nfs/dbraw/zinc/22/33/23/210223323.db2.gz BNOLWLPEQSLXSR-UHFFFAOYSA-N 0 0 340.551 7.133 50 0 EKAARN CCc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 ZINC000004570548 210224019 /nfs/dbraw/zinc/22/40/19/210224019.db2.gz ASYLRLWLYXFRFT-UHFFFAOYSA-N 0 0 341.842 5.133 50 0 EKAARN CC(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1 ZINC000004571638 210224693 /nfs/dbraw/zinc/22/46/93/210224693.db2.gz 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O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl ZINC000004696587 210250255 /nfs/dbraw/zinc/25/02/55/210250255.db2.gz MWSDOEQEOIKHRL-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 in-vivo EKAARN O=C(CCNc1ccc(F)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000004698514 563508098 /nfs/dbraw/zinc/50/80/98/563508098.db2.gz RQRPXJQLCOHQIJ-UHFFFAOYSA-N 0 0 333.362 5.410 50 0 EKAARN COc1ccc(CN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004698533 210252330 /nfs/dbraw/zinc/25/23/30/210252330.db2.gz GLSWWNUHYZLVAG-QHCPKHFHSA-N 0 0 342.442 5.047 50 0 EKAARN COc1ccc(CN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004698534 563964755 /nfs/dbraw/zinc/96/47/55/563964755.db2.gz GLSWWNUHYZLVAG-HSZRJFAPSA-N 0 0 342.442 5.047 50 0 EKAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 ZINC000004698836 201612106 /nfs/dbraw/zinc/61/21/06/201612106.db2.gz LHLPVEYFYFLPPM-UHFFFAOYSA-N 0 0 337.492 5.072 50 0 EKAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc2c1CCCC2 ZINC000004699005 201612336 /nfs/dbraw/zinc/61/23/36/201612336.db2.gz FASGWBVPCABZRT-UHFFFAOYSA-N 0 0 341.454 5.414 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000004699027 210251728 /nfs/dbraw/zinc/25/17/28/210251728.db2.gz IGJDPYGHDZEHAF-UHFFFAOYSA-N 0 0 348.151 5.573 50 0 EKAARN C(=C\c1ccccc1)\CN(C/C=C\c1ccccc1)Cc1ccco1 ZINC000004699253 563964777 /nfs/dbraw/zinc/96/47/77/563964777.db2.gz QGCKBBKYPXZCEH-UOUVAZQYSA-N 0 0 329.443 5.508 50 0 EKAARN CCCC(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl ZINC000004699623 210252046 /nfs/dbraw/zinc/25/20/46/210252046.db2.gz AOFCHXOIWKDPNO-UHFFFAOYSA-N 0 0 328.799 5.195 50 0 EKAARN Fc1ccc(Nc2nc(/C=C/c3ccccc3)nc3ccccc32)cc1 ZINC000004700908 210251628 /nfs/dbraw/zinc/25/16/28/210251628.db2.gz BZZZLEYBPNDYDV-XNTDXEJSSA-N 0 0 341.389 5.683 50 0 EKAARN CC1CCN(c2nc(/C=C/c3ccccc3)nc3ccccc32)CC1 ZINC000004700912 563508070 /nfs/dbraw/zinc/50/80/70/563508070.db2.gz XOJOPXCXOHRRHK-VAWYXSNFSA-N 0 0 329.447 5.037 50 0 EKAARN C(=C/c1nc2ccccc2c(NC2CCCCC2)n1)\c1ccccc1 ZINC000004700939 210253822 /nfs/dbraw/zinc/25/38/22/210253822.db2.gz 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C/C=C/c1ccc(OCCCCOc2cccc(C)c2C)c(OC)c1 ZINC000004702134 210253835 /nfs/dbraw/zinc/25/38/35/210253835.db2.gz XPEWGWYUPCQZII-WEVVVXLNSA-N 0 0 340.463 5.583 50 0 EKAARN CCc1ccccc1Nc1nc(-c2c(C)nc3cc(C)ccn32)cs1 ZINC000004702224 563508667 /nfs/dbraw/zinc/50/86/67/563508667.db2.gz KOTFQVGXCGVDEY-UHFFFAOYSA-N 0 0 348.475 5.381 50 0 EKAARN Cc1cccc(Oc2ccc3[nH]c(C(=O)NCCC(C)C)cc3c2)c1 ZINC000004702620 210253997 /nfs/dbraw/zinc/25/39/97/210253997.db2.gz XZNNHGZPTWCQNQ-UHFFFAOYSA-N 0 0 336.435 5.045 50 0 EKAARN Cc1cccc(Oc2ccc3[nH]c(C(=O)Nc4ccccc4)cc3c2)c1 ZINC000004702637 210253638 /nfs/dbraw/zinc/25/36/38/210253638.db2.gz NIZLTIHMKCLWDY-UHFFFAOYSA-N 0 0 342.398 5.521 50 0 EKAARN Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1C ZINC000004703323 563508630 /nfs/dbraw/zinc/50/86/30/563508630.db2.gz NZJDBIWZSOJEMS-UHFFFAOYSA-N 0 0 346.455 6.138 50 0 EKAARN O=C(c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1F ZINC000004704962 563965856 /nfs/dbraw/zinc/96/58/56/563965856.db2.gz BNHOYTYQFYDILA-UHFFFAOYSA-N 0 0 347.364 5.199 50 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O=C1c2ccccc2[C@H](Nc2ccccc2)N1Cc1ccccc1Cl ZINC000004914815 210322966 /nfs/dbraw/zinc/32/29/66/210322966.db2.gz FLGUODKVVAHZDA-HXUWFJFHSA-N 0 0 348.833 5.107 50 0 EKAARN CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000004915112 210322675 /nfs/dbraw/zinc/32/26/75/210322675.db2.gz MSRGZWOXCICCJO-VFNWGFHPSA-N 0 0 345.442 5.491 50 0 EKAARN CC[C@H](C)Oc1ccc([C@@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000004915121 210322716 /nfs/dbraw/zinc/32/27/16/210322716.db2.gz MSRGZWOXCICCJO-BTYIYWSLSA-N 0 0 345.442 5.491 50 0 EKAARN CC[C@@H](C)Oc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000004915122 210322372 /nfs/dbraw/zinc/32/23/72/210322372.db2.gz MSRGZWOXCICCJO-QVKFZJNVSA-N 0 0 345.442 5.491 50 0 EKAARN CC[C@H](C)Oc1ccc([C@H]2CC(=O)Nc3c4ccccc4ccc32)cc1 ZINC000004915133 210322366 /nfs/dbraw/zinc/32/23/66/210322366.db2.gz MSRGZWOXCICCJO-YCRPNKLZSA-N 0 0 345.442 5.491 50 0 EKAARN CC(=O)Oc1cccc2ccc(/C=C/c3c(F)cccc3Cl)nc21 ZINC000004915703 210323135 /nfs/dbraw/zinc/32/31/35/210323135.db2.gz 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564002736 /nfs/dbraw/zinc/00/27/36/564002736.db2.gz NMCIOARMXKIWHE-UHFFFAOYSA-N 0 0 349.286 6.126 50 0 EKAARN Cc1cccc(-n2cc(-c3ccc(Cl)c(Cl)c3)[nH]c2=S)c1 ZINC000005337815 564002732 /nfs/dbraw/zinc/00/27/32/564002732.db2.gz ZRBLODUPBADOMC-UHFFFAOYSA-N 0 0 335.259 5.817 50 0 EKAARN O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000005338182 210442817 /nfs/dbraw/zinc/44/28/17/210442817.db2.gz DNAYGVVHWGYSBE-UHFFFAOYSA-N 0 0 341.794 5.410 50 0 EKAARN Cc1ccc(N(C=O)C(Cl)=C(c2ccccc2)c2ccccc2)cc1 ZINC000005339286 564023728 /nfs/dbraw/zinc/02/37/28/564023728.db2.gz HWKBLPIGJDQYRE-UHFFFAOYSA-N 0 0 347.845 5.614 50 0 EKAARN O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000005340446 564075693 /nfs/dbraw/zinc/07/56/93/564075693.db2.gz ZBIYCNYWPCTLFM-UHFFFAOYSA-N 0 0 334.374 5.282 50 0 EKAARN Cc1ccc(-c2cnn3c2nc(C(C)(C)C)cc3NC2CCCC2)cc1 ZINC000005345708 564002954 /nfs/dbraw/zinc/00/29/54/564002954.db2.gz XGKIREOAJZOZEE-UHFFFAOYSA-N 0 0 348.494 5.357 50 0 EKAARN 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ZINC000005391140 564003536 /nfs/dbraw/zinc/00/35/36/564003536.db2.gz CDVGDABVMFSHGC-UHFFFAOYSA-N 0 0 331.206 5.271 50 0 EKAARN O=C1CCCCC[C@H]1[C@@H](Nc1ccc2ccccc2c1)c1ccncc1 ZINC000005395277 563862180 /nfs/dbraw/zinc/86/21/80/563862180.db2.gz AXDLHUVJQAUSML-GGAORHGYSA-N 0 0 344.458 5.537 50 0 EKAARN O=C1CCCCC[C@@H]1[C@@H](Nc1ccc2ccccc2c1)c1ccncc1 ZINC000005395278 563862151 /nfs/dbraw/zinc/86/21/51/563862151.db2.gz AXDLHUVJQAUSML-GMAHTHKFSA-N 0 0 344.458 5.537 50 0 EKAARN O=C1CCCCC[C@H]1[C@H](Nc1ccc2ccccc2c1)c1ccncc1 ZINC000005395279 563862143 /nfs/dbraw/zinc/86/21/43/563862143.db2.gz AXDLHUVJQAUSML-FYYLOGMGSA-N 0 0 344.458 5.537 50 0 EKAARN O=C1CCCCC[C@@H]1[C@H](Nc1ccc2ccccc2c1)c1ccncc1 ZINC000005395280 563862147 /nfs/dbraw/zinc/86/21/47/563862147.db2.gz AXDLHUVJQAUSML-JTHBVZDNSA-N 0 0 344.458 5.537 50 0 EKAARN c1ccc(C(Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1 ZINC000005400615 210457828 /nfs/dbraw/zinc/45/78/28/210457828.db2.gz ASRQKXDMKRXHIQ-UHFFFAOYSA-N 0 0 347.487 5.372 50 0 EKAARN COCc1c(C(=O)Nc2cccc(C)c2C)sc2cccc(F)c21 ZINC000005403506 564003667 /nfs/dbraw/zinc/00/36/67/564003667.db2.gz WJPRBLCGBPBTOW-UHFFFAOYSA-N 0 0 343.423 5.056 50 0 EKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C)cc1C ZINC000005403522 564003651 /nfs/dbraw/zinc/00/36/51/564003651.db2.gz NWZLUDKSKZKOMR-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 ZINC000005403731 563531577 /nfs/dbraw/zinc/53/15/77/563531577.db2.gz XQHWONWSUUAJDV-WYMLVPIESA-N 0 0 335.428 5.076 50 0 EKAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C)cc1Cl ZINC000005404217 564003660 /nfs/dbraw/zinc/00/36/60/564003660.db2.gz KISIKHLDAMPIHT-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN COc1ccc(C)cc1NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000005404601 210457303 /nfs/dbraw/zinc/45/73/03/210457303.db2.gz DBBFJFCIAGQTLK-UHFFFAOYSA-N 0 0 337.444 5.293 50 0 EKAARN COc1ccc(C)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1 ZINC000005404612 563531605 /nfs/dbraw/zinc/53/16/05/563531605.db2.gz NEECOMDFPGTKHG-JLHYYAGUSA-N 0 0 349.455 5.384 50 0 EKAARN CC(=O)c1cccc(NC(=O)c2sccc2-c2ccc(C)cc2)c1 ZINC000005404633 564003689 /nfs/dbraw/zinc/00/36/89/564003689.db2.gz WRVDLFAFSPNESV-UHFFFAOYSA-N 0 0 335.428 5.178 50 0 EKAARN Cc1cccc(CSc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000005414173 210458588 /nfs/dbraw/zinc/45/85/88/210458588.db2.gz NWKPWGJZFNCZMT-UHFFFAOYSA-N 0 0 348.496 5.959 50 0 EKAARN Cc1ccccc1CSc1ncnc2scc(-c3ccccc3)c21 ZINC000005414188 564003747 /nfs/dbraw/zinc/00/37/47/564003747.db2.gz RDFYQTPCOMKWLR-UHFFFAOYSA-N 0 0 348.496 5.959 50 0 EKAARN COc1ccc(-c2csc(/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000005414705 201650481 /nfs/dbraw/zinc/65/04/81/201650481.db2.gz GSVODKXRZXCCGZ-BJMVGYQFSA-N 0 0 327.836 5.643 50 0 EKAARN CCCCC1CCC(c2noc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000005417796 564003741 /nfs/dbraw/zinc/00/37/41/564003741.db2.gz SKZLKHVEFSPANX-UHFFFAOYSA-N 0 0 344.455 5.218 50 0 EKAARN CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000005427129 564003841 /nfs/dbraw/zinc/00/38/41/564003841.db2.gz OMUMQXPIWUEEEG-OOJVVSMXSA-N 0 0 330.556 6.881 50 0 EKAARN CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000005427133 564003851 /nfs/dbraw/zinc/00/38/51/564003851.db2.gz OMUMQXPIWUEEEG-JGIIFYEQSA-N 0 0 330.556 6.881 50 0 EKAARN CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000005427145 564005928 /nfs/dbraw/zinc/00/59/28/564005928.db2.gz OMUMQXPIWUEEEG-YHLCIKGPSA-N 0 0 330.556 6.881 50 0 EKAARN CC(=O)CC/C=C(/C)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000005427189 564003854 /nfs/dbraw/zinc/00/38/54/564003854.db2.gz OMUMQXPIWUEEEG-MPQVKJNFSA-N 0 0 330.556 6.881 50 0 EKAARN CC(=O)CC/C=C(/C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000005427194 564003860 /nfs/dbraw/zinc/00/38/60/564003860.db2.gz OMUMQXPIWUEEEG-YNQVVEIXSA-N 0 0 330.556 6.881 50 0 EKAARN C(=C/c1ccccc1)\CNc1cccc(-c2nc3ncccc3o2)c1 ZINC000005427317 563532313 /nfs/dbraw/zinc/53/23/13/563532313.db2.gz IWJSLDLGQGJRLW-WEVVVXLNSA-N 0 0 327.387 5.015 50 0 EKAARN Cc1cccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)c1 ZINC000005434711 210462363 /nfs/dbraw/zinc/46/23/63/210462363.db2.gz QOWXIXLASKYHBV-LBPRGKRZSA-N 0 0 330.840 5.552 50 0 EKAARN Cc1cccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)c1 ZINC000005434712 210462484 /nfs/dbraw/zinc/46/24/84/210462484.db2.gz QOWXIXLASKYHBV-GFCCVEGCSA-N 0 0 330.840 5.552 50 0 EKAARN Cc1ccccc1-c1nnc(SCc2cccc3ccccc32)o1 ZINC000005434834 564003971 /nfs/dbraw/zinc/00/39/71/564003971.db2.gz ZWCHTURWPYMJCG-UHFFFAOYSA-N 0 0 332.428 5.491 50 0 EKAARN Cc1ccccc1-c1nnc(S[C@@H](C)c2ccccc2Cl)o1 ZINC000005435162 564003970 /nfs/dbraw/zinc/00/39/70/564003970.db2.gz VBMKDVWEOGJBLN-LBPRGKRZSA-N 0 0 330.840 5.552 50 0 EKAARN Cc1ccccc1-c1nnc(S[C@H](C)c2ccccc2Cl)o1 ZINC000005435163 564003980 /nfs/dbraw/zinc/00/39/80/564003980.db2.gz VBMKDVWEOGJBLN-GFCCVEGCSA-N 0 0 330.840 5.552 50 0 EKAARN Cc1cc(C)c(OCC(=O)Nc2c(C)cccc2C(C)C)c(C)c1 ZINC000005443026 564062517 /nfs/dbraw/zinc/06/25/17/564062517.db2.gz MTDGZEVMNKOZOM-UHFFFAOYSA-N 0 0 325.452 5.061 50 0 EKAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(C)(C)C ZINC000005443225 563532867 /nfs/dbraw/zinc/53/28/67/563532867.db2.gz LZAPDGCTXWEPHU-UHFFFAOYSA-N 0 0 334.419 5.200 50 0 EKAARN C[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000005445677 210465023 /nfs/dbraw/zinc/46/50/23/210465023.db2.gz XAPJFQGEZHMFNL-ZHRRBRCNSA-N 0 0 340.426 5.243 50 0 EKAARN C[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000005445680 564004087 /nfs/dbraw/zinc/00/40/87/564004087.db2.gz XAPJFQGEZHMFNL-AOMKIAJQSA-N 0 0 340.426 5.243 50 0 EKAARN CCOc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000005450773 201361707 /nfs/dbraw/zinc/36/17/07/201361707.db2.gz VMESRRXQWFPSOJ-UHFFFAOYSA-N 0 0 329.783 5.075 50 0 EKAARN COc1ccc(/N=c2\cc(-c3cccs3)oc3ccccc32)cc1 ZINC000005451505 564004303 /nfs/dbraw/zinc/00/43/03/564004303.db2.gz DKOSEXHSRXBLGI-HEHNFIMWSA-N 0 0 333.412 5.402 50 0 EKAARN C(=C/c1ccccc1)\CNc1ccc(-c2nc3ncccc3o2)cc1 ZINC000005451937 210466757 /nfs/dbraw/zinc/46/67/57/210466757.db2.gz LTZZTWZFKQVEQG-XBXARRHUSA-N 0 0 327.387 5.015 50 0 EKAARN Clc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 ZINC000005453869 564004270 /nfs/dbraw/zinc/00/42/70/564004270.db2.gz BTOQWDRFJMDMEZ-VAWYXSNFSA-N 0 0 334.806 5.501 50 0 aggregator EKAARN Clc1cnc2[nH]c(SCc3c(Cl)cccc3Cl)nc2c1 ZINC000005454981 564004195 /nfs/dbraw/zinc/00/41/95/564004195.db2.gz UEKFMTQPSOTHJN-UHFFFAOYSA-N 0 0 344.654 5.210 50 0 EKAARN Clc1cnc2[nH]c(SCc3cccc4ccccc43)nc2c1 ZINC000005454987 564004203 /nfs/dbraw/zinc/00/42/03/564004203.db2.gz RNWXIQIJYJDWSR-UHFFFAOYSA-N 0 0 325.824 5.057 50 0 EKAARN C[C@H](Sc1nc2ccccc2s1)c1nnc(-c2cccs2)o1 ZINC000005457790 210467841 /nfs/dbraw/zinc/46/78/41/210467841.db2.gz GJLXEGDYEHYBCX-VIFPVBQESA-N 0 0 345.474 5.261 50 0 EKAARN C[C@@H](Sc1nc2ccccc2s1)c1nnc(-c2cccs2)o1 ZINC000005457798 564004360 /nfs/dbraw/zinc/00/43/60/564004360.db2.gz GJLXEGDYEHYBCX-SECBINFHSA-N 0 0 345.474 5.261 50 0 EKAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2cccs2)o1 ZINC000005459017 564004283 /nfs/dbraw/zinc/00/42/83/564004283.db2.gz SSEJHUHZEWMJTC-QMMMGPOBSA-N 0 0 341.219 5.245 50 0 EKAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(-c2cccs2)o1 ZINC000005459024 564004289 /nfs/dbraw/zinc/00/42/89/564004289.db2.gz SSEJHUHZEWMJTC-MRVPVSSYSA-N 0 0 341.219 5.245 50 0 EKAARN Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000005459861 564004338 /nfs/dbraw/zinc/00/43/38/564004338.db2.gz SACPAGUQBPULLK-UHFFFAOYSA-N 0 0 327.431 5.005 50 0 EKAARN Fc1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000005459999 564004336 /nfs/dbraw/zinc/00/43/36/564004336.db2.gz VBKSOZNDTKACTA-CTNGQTDRSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000005460006 564004313 /nfs/dbraw/zinc/00/43/13/564004313.db2.gz VBKSOZNDTKACTA-TZIWHRDSSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000005460014 564004308 /nfs/dbraw/zinc/00/43/08/564004308.db2.gz VBKSOZNDTKACTA-FPOVZHCZSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000005460019 564004333 /nfs/dbraw/zinc/00/43/33/564004333.db2.gz VBKSOZNDTKACTA-PZJWPPBQSA-N 0 0 343.405 5.322 50 0 EKAARN Cc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000005460544 564004329 /nfs/dbraw/zinc/00/43/29/564004329.db2.gz JODARZCEMDAPQP-IRLDBZIGSA-N 0 0 339.442 5.491 50 0 EKAARN Cc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000005460550 564004406 /nfs/dbraw/zinc/00/44/06/564004406.db2.gz JODARZCEMDAPQP-IFMALSPDSA-N 0 0 339.442 5.491 50 0 EKAARN Cc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000005460555 564004431 /nfs/dbraw/zinc/00/44/31/564004431.db2.gz JODARZCEMDAPQP-UNMCSNQZSA-N 0 0 339.442 5.491 50 0 EKAARN Cc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 ZINC000005460562 564004433 /nfs/dbraw/zinc/00/44/33/564004433.db2.gz JODARZCEMDAPQP-RBBKRZOGSA-N 0 0 339.442 5.491 50 0 EKAARN Fc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000005460917 564004429 /nfs/dbraw/zinc/00/44/29/564004429.db2.gz AOVXYPYMNUPSKJ-PZJWPPBQSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000005460930 564004409 /nfs/dbraw/zinc/00/44/09/564004409.db2.gz AOVXYPYMNUPSKJ-TZIWHRDSSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000005460938 564004439 /nfs/dbraw/zinc/00/44/39/564004439.db2.gz AOVXYPYMNUPSKJ-FPOVZHCZSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000005460949 564004422 /nfs/dbraw/zinc/00/44/22/564004422.db2.gz AOVXYPYMNUPSKJ-CTNGQTDRSA-N 0 0 343.405 5.322 50 0 EKAARN CCCCCNC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000005463896 564004395 /nfs/dbraw/zinc/00/43/95/564004395.db2.gz QKQADKAOWIAFAZ-UHFFFAOYSA-N 0 0 332.447 5.130 50 0 EKAARN CCOc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000005464383 564004398 /nfs/dbraw/zinc/00/43/98/564004398.db2.gz CFSHPGDZQAOBOR-UHFFFAOYSA-N 0 0 345.398 5.166 50 0 EKAARN CCOc1ccccc1NC(=O)c1ccccc1Oc1ccccc1 ZINC000005464801 205773582 /nfs/dbraw/zinc/77/35/82/205773582.db2.gz XUYGZDQJWOJFST-UHFFFAOYSA-N 0 0 333.387 5.130 50 0 EKAARN CCCCCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000005465286 563533666 /nfs/dbraw/zinc/53/36/66/563533666.db2.gz CEULLXFSTUWAKT-UHFFFAOYSA-N 0 0 336.262 5.978 50 0 EKAARN CCc1c(C)cc(C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12 ZINC000005477100 564004491 /nfs/dbraw/zinc/00/44/91/564004491.db2.gz BCLMGCXHONEJAL-UHFFFAOYSA-N 0 0 338.454 6.143 50 0 EKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(C)c1 ZINC000005477612 563534290 /nfs/dbraw/zinc/53/42/90/563534290.db2.gz XLQRCZANGPFSFJ-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1cccc(Cl)c1 ZINC000005477853 563534328 /nfs/dbraw/zinc/53/43/28/563534328.db2.gz LVYLTBIJYTXZMV-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN CCn1c(SCc2ccccc2F)nnc1-c1ccccc1Cl ZINC000005478698 210471944 /nfs/dbraw/zinc/47/19/44/210471944.db2.gz GECANZMXFOGILR-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 ZINC000005478724 210471881 /nfs/dbraw/zinc/47/18/81/210471881.db2.gz PMVPBVKKZPITDN-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000005481517 563534611 /nfs/dbraw/zinc/53/46/11/563534611.db2.gz CWBUUUHKRWGIGX-UHFFFAOYSA-N 0 0 336.526 5.228 50 0 EKAARN CC(C)(C)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000005481581 564004640 /nfs/dbraw/zinc/00/46/40/564004640.db2.gz PLYLHPSTHBEYIX-UHFFFAOYSA-N 0 0 342.826 5.267 50 0 EKAARN CC(C)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005482009 564004629 /nfs/dbraw/zinc/00/46/29/564004629.db2.gz NCJIWPLINGVMGO-UHFFFAOYSA-N 0 0 343.470 5.653 50 0 EKAARN O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000005482916 564004623 /nfs/dbraw/zinc/00/46/23/564004623.db2.gz OBPPKEQATPTJQZ-UHFFFAOYSA-N 0 0 337.422 5.231 50 0 EKAARN Cc1cc(Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1 ZINC000005485722 563534687 /nfs/dbraw/zinc/53/46/87/563534687.db2.gz HQJLOJARRXJMFG-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Clc1ccc(C2=N[C@H](c3ccccc3)C=C(c3ccccc3)O2)cc1 ZINC000005487975 564077336 /nfs/dbraw/zinc/07/73/36/564077336.db2.gz GJRMBYJQEXDLHC-FQEVSTJZSA-N 0 0 345.829 5.899 50 0 EKAARN Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)c(F)c1 ZINC000005488052 564004704 /nfs/dbraw/zinc/00/47/04/564004704.db2.gz GRLBFWOABCDOGL-SFHVURJKSA-N 0 0 340.398 5.382 50 0 EKAARN Fc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)c(F)c1 ZINC000005489731 564004698 /nfs/dbraw/zinc/00/46/98/564004698.db2.gz GRLBFWOABCDOGL-GOSISDBHSA-N 0 0 340.398 5.382 50 0 EKAARN CC(C)(C)[P@@](=Nc1ccccc1)(c1ccncc1)N1CCCC1 ZINC000005496438 564004716 /nfs/dbraw/zinc/00/47/16/564004716.db2.gz ZONRKGPKRWCDCY-HSZRJFAPSA-N 0 0 327.412 5.049 50 0 EKAARN CC(C)(C)[P@](=Nc1ccccc1)(c1ccncc1)N1CCCC1 ZINC000005496508 564004735 /nfs/dbraw/zinc/00/47/35/564004735.db2.gz ZONRKGPKRWCDCY-QHCPKHFHSA-N 0 0 327.412 5.049 50 0 EKAARN CC1(C)Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005500005 210476446 /nfs/dbraw/zinc/47/64/46/210476446.db2.gz CQZCJPSQSMQXFL-FQEVSTJZSA-N 0 0 328.415 5.119 50 0 EKAARN CC1(C)Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005500048 564093256 /nfs/dbraw/zinc/09/32/56/564093256.db2.gz CQZCJPSQSMQXFL-HXUWFJFHSA-N 0 0 328.415 5.119 50 0 EKAARN Cc1ccc(Oc2nc(-c3ccccn3)nc3ccccc32)cc1C ZINC000005500192 564004753 /nfs/dbraw/zinc/00/47/53/564004753.db2.gz KPQLRPCJFJGIBS-UHFFFAOYSA-N 0 0 327.387 5.101 50 0 EKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccccc1Cl ZINC000005501182 564004877 /nfs/dbraw/zinc/00/48/77/564004877.db2.gz FXGFXGTZENPCBE-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CSC)cc1 ZINC000005509534 564004822 /nfs/dbraw/zinc/00/48/22/564004822.db2.gz VAMWHRGDPDCSQC-UHFFFAOYSA-N 0 0 343.492 5.108 50 0 EKAARN CC[C@@H](C)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC000005509695 564004812 /nfs/dbraw/zinc/00/48/12/564004812.db2.gz BQIWDGSVLUONSV-CYBMUJFWSA-N 0 0 337.419 5.516 50 0 EKAARN CC[C@H](C)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC000005509696 564004828 /nfs/dbraw/zinc/00/48/28/564004828.db2.gz BQIWDGSVLUONSV-ZDUSSCGKSA-N 0 0 337.419 5.516 50 0 EKAARN CCCCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000005512361 201653746 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ZINC000005560321 564006091 /nfs/dbraw/zinc/00/60/91/564006091.db2.gz FBTXMRTVHYHEMC-UHFFFAOYSA-N 0 0 349.908 5.379 50 0 EKAARN Cc1nn2c(nc(C)cc2Nc2cccc(Cl)c2)c1-c1ccccc1 ZINC000005560894 563539977 /nfs/dbraw/zinc/53/99/77/563539977.db2.gz UJLCFEJBBYVGAL-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1nn2c(nc(C)cc2NC2CCCC2)c1-c1ccc(Cl)cc1 ZINC000005560916 563539974 /nfs/dbraw/zinc/53/99/74/563539974.db2.gz NKDCBQBFIMIMPF-UHFFFAOYSA-N 0 0 340.858 5.021 50 0 EKAARN CCc1nc2c3ccccc3oc2c(SCc2ccccc2F)n1 ZINC000005561227 564005590 /nfs/dbraw/zinc/00/55/90/564005590.db2.gz BBOQFAMEWXPSKD-UHFFFAOYSA-N 0 0 338.407 5.370 50 0 EKAARN CCc1nc2c3ccccc3oc2c(SCc2cccc(F)c2)n1 ZINC000005561606 564005608 /nfs/dbraw/zinc/00/56/08/564005608.db2.gz FIOBWJSJOYURSV-UHFFFAOYSA-N 0 0 338.407 5.370 50 0 EKAARN Cc1cc(Nc2ccc(Cl)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000005562346 563540007 /nfs/dbraw/zinc/54/00/07/563540007.db2.gz SVJUFORQRURFTK-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1Cl ZINC000005567487 564005507 /nfs/dbraw/zinc/00/55/07/564005507.db2.gz IYQCFHYEAQJXCI-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN Clc1cccc(NCNc2cccc(Cl)c2Cl)c1Cl ZINC000005567498 563539936 /nfs/dbraw/zinc/53/99/36/563539936.db2.gz KZSYVMUYJSAHLZ-UHFFFAOYSA-N 0 0 336.049 5.782 50 0 EKAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000005567736 564005553 /nfs/dbraw/zinc/00/55/53/564005553.db2.gz FLCQTVGNQXTYCP-UHFFFAOYSA-N 0 0 335.017 5.553 50 0 EKAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000005568901 564005538 /nfs/dbraw/zinc/00/55/38/564005538.db2.gz NKRQMPUSMZFZIU-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN Cc1ccc(/C=C/c2ccc(/C=C/c3ccc4ccccc4n3)cc2)cc1 ZINC000005570807 201655805 /nfs/dbraw/zinc/65/58/05/201655805.db2.gz HSUQZOFKLUFIIH-UKRGKPDNSA-N 0 0 347.461 6.884 50 0 EKAARN Cc1cccc(-c2csc(=N)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000005571242 563540343 /nfs/dbraw/zinc/54/03/43/563540343.db2.gz OCLJUDHWGYPUNX-UHFFFAOYSA-N 0 0 335.259 5.300 50 0 EKAARN Cc1cccc(-n2cc(-c3ccc(Cl)c(Cl)c3)sc2=N)c1 ZINC000005571243 563540375 /nfs/dbraw/zinc/54/03/75/563540375.db2.gz SJFVVJXPYZSWJY-UHFFFAOYSA-N 0 0 335.259 5.300 50 0 EKAARN O=C(Sc1cc2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000005572287 210492364 /nfs/dbraw/zinc/49/23/64/210492364.db2.gz SQWNPFWISWYPQG-UHFFFAOYSA-N 0 0 341.435 5.834 50 0 EKAARN c1ccc(-c2nc3c(nc(-c4ccccc4)cc3-c3ccccc3)o2)cc1 ZINC000005572299 563540796 /nfs/dbraw/zinc/54/07/96/563540796.db2.gz OMAHQDHNLSYPJQ-UHFFFAOYSA-N 0 0 348.405 6.224 50 0 EKAARN Cc1nn2c(nc(C)cc2NCCC(C)C)c1-c1ccc(Cl)cc1 ZINC000005572703 564005780 /nfs/dbraw/zinc/00/57/80/564005780.db2.gz YCVJQLNOAMQLIP-UHFFFAOYSA-N 0 0 342.874 5.125 50 0 EKAARN CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000005575324 210493067 /nfs/dbraw/zinc/49/30/67/210493067.db2.gz IECQAFBYAOGQBW-QKTWPWEVSA-N 0 0 346.474 5.527 50 0 EKAARN CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000005575330 210493955 /nfs/dbraw/zinc/49/39/55/210493955.db2.gz IECQAFBYAOGQBW-VSZUSUSQSA-N 0 0 346.474 5.527 50 0 EKAARN Cc1ccc(CSc2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000005576414 563540798 /nfs/dbraw/zinc/54/07/98/563540798.db2.gz CKZFGYWDKYEVGV-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(C)CC2)o1 ZINC000005576778 564005833 /nfs/dbraw/zinc/00/58/33/564005833.db2.gz STVKTSAOIDLEAQ-UARVQCNDSA-N 0 0 336.435 5.038 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(C)CC2)o1 ZINC000005576781 564005828 /nfs/dbraw/zinc/00/58/28/564005828.db2.gz STVKTSAOIDLEAQ-TUVDCLKLSA-N 0 0 336.435 5.038 50 0 EKAARN CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000005577073 210493949 /nfs/dbraw/zinc/49/39/49/210493949.db2.gz IUKJYCAYJLKFRG-WSGJVKOYSA-N 0 0 338.476 5.198 50 0 EKAARN CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000005577077 201656311 /nfs/dbraw/zinc/65/63/11/201656311.db2.gz IUKJYCAYJLKFRG-GBXVCHKXSA-N 0 0 338.476 5.198 50 0 EKAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000005577621 205779839 /nfs/dbraw/zinc/77/98/39/205779839.db2.gz LTOWCRMEDBKMKM-UHFFFAOYSA-N 0 0 337.419 5.129 50 0 EKAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1 ZINC000005578006 564005816 /nfs/dbraw/zinc/00/58/16/564005816.db2.gz HHVJSPHDYXROPR-UHFFFAOYSA-N 0 0 342.398 5.141 50 0 EKAARN Cc1cccc(Cl)c1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000005579602 563540993 /nfs/dbraw/zinc/54/09/93/563540993.db2.gz USFLIPQURZXFNW-UHFFFAOYSA-N 0 0 344.789 5.476 50 0 EKAARN CCOc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000005585897 564005981 /nfs/dbraw/zinc/00/59/81/564005981.db2.gz VLMBTKKPYTZZOC-UHFFFAOYSA-N 0 0 332.375 5.231 50 0 EKAARN Cc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1C ZINC000005589097 564006129 /nfs/dbraw/zinc/00/61/29/564006129.db2.gz JJAVLXVIILNZED-UHFFFAOYSA-N 0 0 326.403 5.052 50 0 EKAARN Cc1cccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000005589514 563541495 /nfs/dbraw/zinc/54/14/95/563541495.db2.gz NZRFNFBUXUXPRC-UHFFFAOYSA-N 0 0 346.499 5.394 50 0 EKAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)CCC)cc2)cc1 ZINC000005590979 563541770 /nfs/dbraw/zinc/54/17/70/563541770.db2.gz KYYRUQPHYUFBTM-UHFFFAOYSA-N 0 0 339.435 5.101 50 0 EKAARN CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005591395 563541765 /nfs/dbraw/zinc/54/17/65/563541765.db2.gz MSNXALVXHJPDKK-CQSZACIVSA-N 0 0 338.476 5.646 50 0 EKAARN CCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005591431 564119495 /nfs/dbraw/zinc/11/94/95/564119495.db2.gz PHWIMVMNWHJCBG-JTHBVZDNSA-N 0 0 342.442 5.510 50 0 EKAARN CCC[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005591487 563541741 /nfs/dbraw/zinc/54/17/41/563541741.db2.gz MSNXALVXHJPDKK-AWEZNQCLSA-N 0 0 338.476 5.646 50 0 EKAARN CCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000005591523 564119485 /nfs/dbraw/zinc/11/94/85/564119485.db2.gz PHWIMVMNWHJCBG-GMAHTHKFSA-N 0 0 342.442 5.510 50 0 EKAARN CCCCc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 ZINC000005597412 564006160 /nfs/dbraw/zinc/00/61/60/564006160.db2.gz INGKQIMPXKAEDW-UHFFFAOYSA-N 0 0 342.489 5.467 50 0 EKAARN Cc1ccc([S@@](=O)/C(F)=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000005601094 564006279 /nfs/dbraw/zinc/00/62/79/564006279.db2.gz YQBVNZLSAQHDQM-VOZFUJEASA-N 0 0 336.431 5.738 50 0 EKAARN Cc1ccc([S@@](=O)/C(F)=C\c2ccc(-c3ccccc3)cc2)cc1 ZINC000005601099 564006270 /nfs/dbraw/zinc/00/62/70/564006270.db2.gz YQBVNZLSAQHDQM-VNSJDZJPSA-N 0 0 336.431 5.738 50 0 EKAARN Cc1ccc([S@](=O)/C(F)=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000005601107 564006260 /nfs/dbraw/zinc/00/62/60/564006260.db2.gz YQBVNZLSAQHDQM-INJUALFYSA-N 0 0 336.431 5.738 50 0 EKAARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000005601898 564006242 /nfs/dbraw/zinc/00/62/42/564006242.db2.gz JIDTWNDASVSQTK-OAHLLOKOSA-N 0 0 339.460 5.154 50 0 EKAARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000005601903 564006262 /nfs/dbraw/zinc/00/62/62/564006262.db2.gz JIDTWNDASVSQTK-HNNXBMFYSA-N 0 0 339.460 5.154 50 0 EKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000005602352 564006248 /nfs/dbraw/zinc/00/62/48/564006248.db2.gz RBAVXCGHAIEWMF-UHFFFAOYSA-N 0 0 337.369 5.126 50 0 EKAARN Clc1ccc2oc3c(ncnc3SCc3ccccc3)c2c1 ZINC000005603551 564006350 /nfs/dbraw/zinc/00/63/50/564006350.db2.gz DSSDTQOUMZGYSE-UHFFFAOYSA-N 0 0 326.808 5.322 50 0 EKAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 ZINC000005604544 564006330 /nfs/dbraw/zinc/00/63/30/564006330.db2.gz ZDCCMYWLFGHQHT-UHFFFAOYSA-N 0 0 337.806 5.025 50 0 EKAARN Cc1ccc(-c2nc(COC(=O)c3cc(C)ccc3C)cs2)cc1 ZINC000005607303 564006322 /nfs/dbraw/zinc/00/63/22/564006322.db2.gz DKGNQVIBLQNKTR-UHFFFAOYSA-N 0 0 337.444 5.092 50 0 EKAARN S=C(NCCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000005616761 563543311 /nfs/dbraw/zinc/54/33/11/563543311.db2.gz LDEUXDUDXGYFDR-UHFFFAOYSA-N 0 0 348.471 5.008 50 0 EKAARN Cc1cc(F)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005617679 564006398 /nfs/dbraw/zinc/00/63/98/564006398.db2.gz ORDMYXKYYQLQTJ-UHFFFAOYSA-N 0 0 333.362 5.010 50 0 EKAARN Cc1ccc(Sc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 ZINC000005617787 564006390 /nfs/dbraw/zinc/00/63/90/564006390.db2.gz IINFOQNEPVAZNQ-UHFFFAOYSA-N 0 0 347.487 5.203 50 0 EKAARN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(F)cc2)cc1 ZINC000005617797 210502660 /nfs/dbraw/zinc/50/26/60/210502660.db2.gz HEYKWZQBOFEPAN-QFIPXVFZSA-N 0 0 348.396 5.629 50 0 EKAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc(F)cc2)cc1 ZINC000005617831 210502709 /nfs/dbraw/zinc/50/27/09/210502709.db2.gz HEYKWZQBOFEPAN-JOCHJYFZSA-N 0 0 348.396 5.629 50 0 EKAARN Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)oc2c1 ZINC000005619060 564006389 /nfs/dbraw/zinc/00/63/89/564006389.db2.gz MWZQBLRKPPSTIT-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Cc1ccc2c(c1)sc(C(=O)Nc1ccccc1C(C)C)c2Cl ZINC000005619209 564006383 /nfs/dbraw/zinc/00/63/83/564006383.db2.gz OANKFZWQBYJJDE-UHFFFAOYSA-N 0 0 343.879 6.239 50 0 EKAARN Cc1cccc(SCc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000005619768 201657681 /nfs/dbraw/zinc/65/76/81/201657681.db2.gz CNQZVKBXKLZOJG-UHFFFAOYSA-N 0 0 347.508 6.564 50 0 EKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005619901 564006426 /nfs/dbraw/zinc/00/64/26/564006426.db2.gz RYXYFJCDRKVGQH-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1cccc2c(C)cc(Sc3cccc(C(F)(F)F)c3)nc12 ZINC000005620037 564006436 /nfs/dbraw/zinc/00/64/36/564006436.db2.gz KONYQMIAGQXZGN-UHFFFAOYSA-N 0 0 333.378 6.022 50 0 EKAARN c1nnc(SC(c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000005621810 564006630 /nfs/dbraw/zinc/00/66/30/564006630.db2.gz NAPTVVQHYSVGAG-UHFFFAOYSA-N 0 0 343.455 5.149 50 0 EKAARN Cc1ccc(Nc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000005624332 210504312 /nfs/dbraw/zinc/50/43/12/210504312.db2.gz LAJLTINXYZYZTK-UHFFFAOYSA-N 0 0 347.896 5.536 50 0 EKAARN Fc1ccc(-c2nc(CSc3nc4ccccc4o3)cs2)cc1 ZINC000005628955 564006740 /nfs/dbraw/zinc/00/67/40/564006740.db2.gz WEFJFESTVZPCHN-UHFFFAOYSA-N 0 0 342.420 5.383 50 0 EKAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(F)c(F)cc1Cl ZINC000005634623 564006802 /nfs/dbraw/zinc/00/68/02/564006802.db2.gz IXKDGMFZHURPSU-UHFFFAOYSA-N 0 0 343.760 5.538 50 0 EKAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1Cl ZINC000005637314 564006876 /nfs/dbraw/zinc/00/68/76/564006876.db2.gz KQEZMKIEIJEMQQ-UHFFFAOYSA-N 0 0 325.795 5.063 50 0 EKAARN CCOc1ccc(NC(=S)Nc2ccccc2C(C)(C)C)cc1 ZINC000005637734 564006856 /nfs/dbraw/zinc/00/68/56/564006856.db2.gz KOMGYWWRVPPRMZ-UHFFFAOYSA-N 0 0 328.481 5.192 50 0 EKAARN COc1cccc(Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000005637742 564006848 /nfs/dbraw/zinc/00/68/48/564006848.db2.gz GSIQYCKOUGIZQC-UHFFFAOYSA-N 0 0 327.387 5.049 50 0 EKAARN O=C(CSc1ccccc1Cl)Nc1ccccc1C(F)(F)F ZINC000005638050 564006872 /nfs/dbraw/zinc/00/68/72/564006872.db2.gz PXDJGUHZHMNYBE-UHFFFAOYSA-N 0 0 345.773 5.090 50 0 EKAARN C1C2CC3CC1CC(C2)C31OSC2(S1)C1CC3CC(C1)CC2C3 ZINC000005638923 564006896 /nfs/dbraw/zinc/00/68/96/564006896.db2.gz VECBYLMHXBCIAX-UHFFFAOYSA-N 0 0 348.577 5.703 50 0 EKAARN CCCCN(CCCC)c1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000005645940 563543723 /nfs/dbraw/zinc/54/37/23/563543723.db2.gz JLIVCXIKYMABGU-UHFFFAOYSA-N 0 0 347.506 6.012 50 0 EKAARN CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 ZINC000005650642 563544123 /nfs/dbraw/zinc/54/41/23/563544123.db2.gz AGUBCDYYAKENKG-YVNJGZBMSA-N 0 0 330.512 5.685 50 0 endogenous,in-man EKAARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1 ZINC000005656112 210509862 /nfs/dbraw/zinc/50/98/62/210509862.db2.gz ZVRWECHSZKIITD-UHFFFAOYSA-N 0 0 346.455 5.318 50 0 aggregator EKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000005659237 564007060 /nfs/dbraw/zinc/00/70/60/564007060.db2.gz JHYWKWVRYOAVDJ-UHFFFAOYSA-N 0 0 341.414 5.357 50 0 EKAARN COc1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000005659307 563862767 /nfs/dbraw/zinc/86/27/67/563862767.db2.gz PLUNGJQCZCTDAE-UHFFFAOYSA-N 0 0 341.414 5.357 50 0 EKAARN Cc1ccc(-n2c(=S)[nH]c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005659317 563544093 /nfs/dbraw/zinc/54/40/93/563544093.db2.gz BVVOSKPQDMCUMH-UHFFFAOYSA-N 0 0 342.467 6.177 50 0 EKAARN COc1ccc(-c2nc3ccccc3c(Nc3cccc(C)c3)n2)cc1 ZINC000005659623 564007216 /nfs/dbraw/zinc/00/72/16/564007216.db2.gz MSYUJXZWSFXBIY-UHFFFAOYSA-N 0 0 341.414 5.357 50 0 EKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccccc3C)n2)cc1 ZINC000005659814 564007256 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/nfs/dbraw/zinc/57/74/31/563577431.db2.gz FUJBEQICRMPWRH-UHFFFAOYSA-N 0 0 329.355 5.058 50 0 EKAARN COc1ccccc1-c1ccnc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000006668590 564095723 /nfs/dbraw/zinc/09/57/23/564095723.db2.gz UFXOAQUUUXJFDV-UHFFFAOYSA-N 0 0 349.821 5.034 50 0 EKAARN Cc1ccc(NC(=O)Cc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000006671375 564095751 /nfs/dbraw/zinc/09/57/51/564095751.db2.gz DHDQGTNJJNOZCG-UHFFFAOYSA-N 0 0 348.427 5.046 50 0 EKAARN COc1cccc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c32)c1 ZINC000006671854 564095737 /nfs/dbraw/zinc/09/57/37/564095737.db2.gz PDQCQCAHLBXQCZ-UHFFFAOYSA-N 0 0 347.370 5.114 50 0 EKAARN S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000006672210 563577912 /nfs/dbraw/zinc/57/79/12/563577912.db2.gz XCVNQAAUFJYVOH-UHFFFAOYSA-N 0 0 346.499 5.195 50 0 EKAARN COc1ccccc1Nc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000006672241 564095807 /nfs/dbraw/zinc/09/58/07/564095807.db2.gz FXKBDGIMFITRAQ-UHFFFAOYSA-N 0 0 343.382 5.212 50 0 EKAARN COc1ccc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c32)cc1 ZINC000006672403 564095806 /nfs/dbraw/zinc/09/58/06/564095806.db2.gz GIZQNHFNCKHTHO-UHFFFAOYSA-N 0 0 347.370 5.114 50 0 EKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000006680793 210679281 /nfs/dbraw/zinc/67/92/81/210679281.db2.gz VBRKHYVVZHWUSP-JTHBVZDNSA-N 0 0 340.426 5.237 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000006680794 563577936 /nfs/dbraw/zinc/57/79/36/563577936.db2.gz VBRKHYVVZHWUSP-FYYLOGMGSA-N 0 0 340.426 5.237 50 0 EKAARN Cc1ccc2c(c1)sc1nc(-c3cccc(Br)c3)cn21 ZINC000006682025 210679455 /nfs/dbraw/zinc/67/94/55/210679455.db2.gz IMYSLRAAAIHVNI-UHFFFAOYSA-N 0 0 343.249 5.287 50 0 EKAARN CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000006692523 563578258 /nfs/dbraw/zinc/57/82/58/563578258.db2.gz VLXLJJZSTMSYKO-HSZRJFAPSA-N 0 0 340.426 5.305 50 0 EKAARN CC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000006692524 563578205 /nfs/dbraw/zinc/57/82/05/563578205.db2.gz VLXLJJZSTMSYKO-QHCPKHFHSA-N 0 0 340.426 5.305 50 0 EKAARN CC(C)(C)c1ccc(N2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000006693043 210681512 /nfs/dbraw/zinc/68/15/12/210681512.db2.gz CPSRVYLGUSDDBW-LGMDPLHJSA-N 0 0 337.444 5.225 50 0 EKAARN Cc1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2c1 ZINC000006694396 563578184 /nfs/dbraw/zinc/57/81/84/563578184.db2.gz QXOWGVGGTKZCEP-UHFFFAOYSA-N 0 0 333.435 5.057 50 0 EKAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1 ZINC000006694408 564096077 /nfs/dbraw/zinc/09/60/77/564096077.db2.gz XAZGXJKHYQNQPW-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN C[C@H](SCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000006701584 563579634 /nfs/dbraw/zinc/57/96/34/563579634.db2.gz BFZLKXTZNADPHS-NSHDSACASA-N 0 0 340.275 5.254 50 0 EKAARN C[C@@H](SCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000006701585 210685221 /nfs/dbraw/zinc/68/52/21/210685221.db2.gz BFZLKXTZNADPHS-LLVKDONJSA-N 0 0 340.275 5.254 50 0 EKAARN CCCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000006702517 563580409 /nfs/dbraw/zinc/58/04/09/563580409.db2.gz FVDWMCBHHIBNEG-UHFFFAOYSA-N 0 0 339.382 5.460 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3c(Cl)cccc3Cl)coc2c1 ZINC000006703320 564117439 /nfs/dbraw/zinc/11/74/39/564117439.db2.gz SRSYDNGDBRGXJI-UHFFFAOYSA-N 0 0 334.202 5.229 50 0 EKAARN CCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000006705738 210688147 /nfs/dbraw/zinc/68/81/47/210688147.db2.gz XOSIGCNKWPDTOI-FQEVSTJZSA-N 0 0 348.490 5.305 50 0 EKAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000006705739 564096253 /nfs/dbraw/zinc/09/62/53/564096253.db2.gz XOSIGCNKWPDTOI-HXUWFJFHSA-N 0 0 348.490 5.305 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2C)N3)C1 ZINC000006706966 564096266 /nfs/dbraw/zinc/09/62/66/564096266.db2.gz NJQLWEYGWBLIBX-PXAZEXFGSA-N 0 0 326.465 5.000 50 0 EKAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2C)N3)C1 ZINC000006706967 564096264 /nfs/dbraw/zinc/09/62/64/564096264.db2.gz NJQLWEYGWBLIBX-SJKOYZFVSA-N 0 0 326.465 5.000 50 0 EKAARN CC1=Nc2ccccc2NC(=O)[C@H]1Sc1nc2ccccc2s1 ZINC000006707476 210688322 /nfs/dbraw/zinc/68/83/22/210688322.db2.gz KVUHROYPULSWFU-HNNXBMFYSA-N 0 0 339.445 5.151 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2C)N3)C1 ZINC000006707709 564096265 /nfs/dbraw/zinc/09/62/65/564096265.db2.gz NJQLWEYGWBLIBX-SJCJKPOMSA-N 0 0 326.465 5.000 50 0 EKAARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2C)N3)C1 ZINC000006707712 564096247 /nfs/dbraw/zinc/09/62/47/564096247.db2.gz NJQLWEYGWBLIBX-YVEFUNNKSA-N 0 0 326.465 5.000 50 0 EKAARN Clc1ccc2c(c1)nc(Cc1ccccc1)nc2Nc1ccccc1 ZINC000006709824 564096283 /nfs/dbraw/zinc/09/62/83/564096283.db2.gz MWWYNPVKUPKRBS-UHFFFAOYSA-N 0 0 345.833 5.618 50 0 EKAARN Clc1ccc2c(c1)nc(-c1ccccc1)nc2Nc1ccccc1 ZINC000006710003 564096280 /nfs/dbraw/zinc/09/62/80/564096280.db2.gz AYNRMWYQYBVUET-UHFFFAOYSA-N 0 0 331.806 5.694 50 0 EKAARN CCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006711436 564096275 /nfs/dbraw/zinc/09/62/75/564096275.db2.gz NFYTUIKKDDJRNZ-FQEVSTJZSA-N 0 0 348.490 5.018 50 0 EKAARN CCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1ccc(C)cc1 ZINC000006711439 564096293 /nfs/dbraw/zinc/09/62/93/564096293.db2.gz NFYTUIKKDDJRNZ-HXUWFJFHSA-N 0 0 348.490 5.018 50 0 EKAARN COc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 ZINC000006713426 564096289 /nfs/dbraw/zinc/09/62/89/564096289.db2.gz BJNIFTCQSJFIHO-FQEVSTJZSA-N 0 0 335.428 5.646 50 0 EKAARN COc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 ZINC000006713450 210689049 /nfs/dbraw/zinc/68/90/49/210689049.db2.gz BJNIFTCQSJFIHO-HXUWFJFHSA-N 0 0 335.428 5.646 50 0 EKAARN CCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1cccc(C)c1 ZINC000006713617 210689866 /nfs/dbraw/zinc/68/98/66/210689866.db2.gz YCYHNMGYTPGLCS-FQEVSTJZSA-N 0 0 348.490 5.018 50 0 EKAARN CCCNC(=O)C[C@@H](c1cn(CC)c2ccccc12)c1cccc(C)c1 ZINC000006713619 564096294 /nfs/dbraw/zinc/09/62/94/564096294.db2.gz YCYHNMGYTPGLCS-HXUWFJFHSA-N 0 0 348.490 5.018 50 0 EKAARN Cc1ccccc1OCCn1cc(C(=O)C(C)(C)C)c2ccccc21 ZINC000006720923 564096363 /nfs/dbraw/zinc/09/63/63/564096363.db2.gz JWHPOTXODNHAOC-UHFFFAOYSA-N 0 0 335.447 5.258 50 0 EKAARN Cc1ccc(C)c(OCCn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 ZINC000006720924 564096382 /nfs/dbraw/zinc/09/63/82/564096382.db2.gz LTDFFQHXPLAFNT-UHFFFAOYSA-N 0 0 349.474 5.566 50 0 EKAARN CC(C)(C)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000006720925 210690333 /nfs/dbraw/zinc/69/03/33/210690333.db2.gz TTYRSMFJUFIWPF-UHFFFAOYSA-N 0 0 339.410 5.088 50 0 EKAARN CCC(CC)c1nc2cc3sc(C(CC)CC)nc3cc2s1 ZINC000006721283 564096383 /nfs/dbraw/zinc/09/63/83/564096383.db2.gz LNNBYQKRCLNUHU-UHFFFAOYSA-N 0 0 332.538 6.713 50 0 EKAARN Cc1ccc(-c2cc(-c3ccco3)c(-c3ccc(C)cc3)nn2)cc1 ZINC000006721366 564096412 /nfs/dbraw/zinc/09/64/12/564096412.db2.gz YADXVXHZTJETHP-UHFFFAOYSA-N 0 0 326.399 5.687 50 0 EKAARN Cc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000006721437 210690737 /nfs/dbraw/zinc/69/07/37/210690737.db2.gz IMBOUWBOGBHBGG-GHTZIAJQSA-N 0 0 346.455 5.299 50 0 EKAARN Cc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000006721438 564096356 /nfs/dbraw/zinc/09/63/56/564096356.db2.gz IMBOUWBOGBHBGG-RXVVDRJESA-N 0 0 346.455 5.299 50 0 EKAARN Cc1ccc(S[C@@H]2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000006721447 210690468 /nfs/dbraw/zinc/69/04/68/210690468.db2.gz RGSHGNJQNVQLTI-HXUWFJFHSA-N 0 0 338.859 6.636 50 0 EKAARN Cc1ccc(S[C@H]2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000006721448 564096345 /nfs/dbraw/zinc/09/63/45/564096345.db2.gz RGSHGNJQNVQLTI-FQEVSTJZSA-N 0 0 338.859 6.636 50 0 EKAARN Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000006721910 564096391 /nfs/dbraw/zinc/09/63/91/564096391.db2.gz UOEJEXXDVDJINO-UHFFFAOYSA-N 0 0 344.845 6.373 50 0 EKAARN CCCCCCNC(=O)c1cc2c(cccc2OCC)n1CC(C)C ZINC000006724393 210691805 /nfs/dbraw/zinc/69/18/05/210691805.db2.gz PVQGBVQYPALQHT-UHFFFAOYSA-N 0 0 344.499 5.006 50 0 EKAARN CCn1cc([C@@H](CC(=O)NC(C)C)c2ccc(C)cc2)c2ccccc21 ZINC000006724640 564096386 /nfs/dbraw/zinc/09/63/86/564096386.db2.gz APIFKKQJLOZOHL-FQEVSTJZSA-N 0 0 348.490 5.016 50 0 EKAARN CCn1cc([C@H](CC(=O)NC(C)C)c2ccc(C)cc2)c2ccccc21 ZINC000006724641 564096394 /nfs/dbraw/zinc/09/63/94/564096394.db2.gz APIFKKQJLOZOHL-HXUWFJFHSA-N 0 0 348.490 5.016 50 0 EKAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N=C(C)c1cc(C)ccc1S2 ZINC000006728039 564096534 /nfs/dbraw/zinc/09/65/34/564096534.db2.gz OTACCHXQLDLLOZ-CYBMUJFWSA-N 0 0 338.476 5.129 50 0 EKAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N=C(C)c1cc(C)ccc1S2 ZINC000006728080 564096559 /nfs/dbraw/zinc/09/65/59/564096559.db2.gz OTACCHXQLDLLOZ-ZDUSSCGKSA-N 0 0 338.476 5.129 50 0 EKAARN O=C(CCSc1ccccc1)Nc1c(Cl)cccc1Cl ZINC000006729000 563583414 /nfs/dbraw/zinc/58/34/14/563583414.db2.gz QLPBNGBTZJAGKR-UHFFFAOYSA-N 0 0 326.248 5.114 50 0 EKAARN Cc1ccc2c(cccc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000006730089 563583397 /nfs/dbraw/zinc/58/33/97/563583397.db2.gz QHJFGASTGOKXSK-UHFFFAOYSA-N 0 0 331.202 5.102 50 0 EKAARN CCc1cccc(C)c1Nc1c(-c2ccsc2)nc2cnccn21 ZINC000006732902 564096626 /nfs/dbraw/zinc/09/66/26/564096626.db2.gz DOLCMCINMWHTDE-UHFFFAOYSA-N 0 0 334.448 5.072 50 0 EKAARN CCc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000006737184 564096679 /nfs/dbraw/zinc/09/66/79/564096679.db2.gz VZWGGJBLOZAJNO-QFIPXVFZSA-N 0 0 342.442 5.016 50 0 EKAARN CCc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000006737185 564096661 /nfs/dbraw/zinc/09/66/61/564096661.db2.gz VZWGGJBLOZAJNO-JOCHJYFZSA-N 0 0 342.442 5.016 50 0 EKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000006737194 564096684 /nfs/dbraw/zinc/09/66/84/564096684.db2.gz QOLALQYOJKFEMS-JTSKRJEESA-N 0 0 342.442 5.323 50 0 EKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000006737195 564096663 /nfs/dbraw/zinc/09/66/63/564096663.db2.gz QOLALQYOJKFEMS-HTAPYJJXSA-N 0 0 342.442 5.323 50 0 EKAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000006737196 564096651 /nfs/dbraw/zinc/09/66/51/564096651.db2.gz QOLALQYOJKFEMS-VGSWGCGISA-N 0 0 342.442 5.323 50 0 EKAARN Cc1ccc(N[C@H]2c3ccccc3C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000006737197 201693923 /nfs/dbraw/zinc/69/39/23/201693923.db2.gz QOLALQYOJKFEMS-VGOFRKELSA-N 0 0 342.442 5.323 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](c1ccc(Cl)s1)c1ccccc1 ZINC000006737701 210695361 /nfs/dbraw/zinc/69/53/61/210695361.db2.gz BMLLTCSCUGDJQB-FQEVSTJZSA-N 0 0 337.875 6.371 50 0 aggregator EKAARN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)s1)c1ccccc1 ZINC000006737702 564096759 /nfs/dbraw/zinc/09/67/59/564096759.db2.gz BMLLTCSCUGDJQB-HXUWFJFHSA-N 0 0 337.875 6.371 50 0 aggregator EKAARN Cc1ccc2[nH]cc([C@H](c3ccc(Cl)s3)c3ccccc3)c2c1 ZINC000006737759 564096750 /nfs/dbraw/zinc/09/67/50/564096750.db2.gz SVWKOSLBTFOUMA-HXUWFJFHSA-N 0 0 337.875 6.371 50 0 EKAARN Cc1ccc2[nH]cc([C@@H](c3ccc(Cl)s3)c3ccccc3)c2c1 ZINC000006737760 201693498 /nfs/dbraw/zinc/69/34/98/201693498.db2.gz SVWKOSLBTFOUMA-FQEVSTJZSA-N 0 0 337.875 6.371 50 0 EKAARN CCSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2 ZINC000006738950 564096749 /nfs/dbraw/zinc/09/67/49/564096749.db2.gz BEKYIFVHMVKSIQ-UHFFFAOYSA-N 0 0 338.407 5.091 50 0 EKAARN CSc1nc(-c2ccc(F)cc2)nc2c1Cc1cc(C)ccc1O2 ZINC000006738955 564096720 /nfs/dbraw/zinc/09/67/20/564096720.db2.gz GOPHUBKIFUYWHQ-UHFFFAOYSA-N 0 0 338.407 5.010 50 0 EKAARN CCSc1nc(-c2ccccc2)nc2c1Cc1cccc(C)c1O2 ZINC000006738957 564096727 /nfs/dbraw/zinc/09/67/27/564096727.db2.gz MLTZYBLSRXLCTM-UHFFFAOYSA-N 0 0 334.444 5.261 50 0 EKAARN CCc1ccc2c(c1)N=C(c1ccccc1)NC(c1ccc(F)cc1)=N2 ZINC000006743551 210698510 /nfs/dbraw/zinc/69/85/10/210698510.db2.gz JVHXUIVNBRMSIX-UHFFFAOYSA-N 0 0 343.405 5.339 50 0 EKAARN CCc1ccc2c(c1)N=C(c1ccc(C)cc1)NC(c1cccs1)=N2 ZINC000006743582 564096877 /nfs/dbraw/zinc/09/68/77/564096877.db2.gz CAGDGJHMYDPDOS-UHFFFAOYSA-N 0 0 345.471 5.570 50 0 EKAARN Cc1ccc(C2=Nc3cc(Cl)ccc3N=C(c3ccccc3)N2)cc1 ZINC000006743601 564096863 /nfs/dbraw/zinc/09/68/63/564096863.db2.gz URLIUZYJQWNFET-UHFFFAOYSA-N 0 0 345.833 5.599 50 0 aggregator EKAARN CCc1ccc2c(c1)N=C(c1ccccc1)NC(c1cccs1)=N2 ZINC000006743604 564096878 /nfs/dbraw/zinc/09/68/78/564096878.db2.gz ZBPCCVWQHXLONS-UHFFFAOYSA-N 0 0 331.444 5.261 50 0 EKAARN CCc1ccc2c(c1)N=C(c1ccc(F)cc1)NC(c1cccs1)=N2 ZINC000006743691 564096801 /nfs/dbraw/zinc/09/68/01/564096801.db2.gz JILJBYWZPQWUKF-UHFFFAOYSA-N 0 0 349.434 5.400 50 0 EKAARN CC(C)c1ccc2c(c1)N=C(c1ccncc1)NC(c1cccs1)=N2 ZINC000006743699 564096810 /nfs/dbraw/zinc/09/68/10/564096810.db2.gz FWVFXKFMLSFCST-UHFFFAOYSA-N 0 0 346.459 5.217 50 0 EKAARN CC(C)c1ccc2c(c1)N=C(c1cccnc1)NC(c1cccs1)=N2 ZINC000006743705 564096806 /nfs/dbraw/zinc/09/68/06/564096806.db2.gz NWVHCZKXTMTJBZ-UHFFFAOYSA-N 0 0 346.459 5.217 50 0 EKAARN Cc1ccc(C2=Nc3cc(C(C)C)ccc3N=C(c3cccs3)N2)o1 ZINC000006743708 564096809 /nfs/dbraw/zinc/09/68/09/564096809.db2.gz RHUIEAHCUKFDLV-UHFFFAOYSA-N 0 0 349.459 5.724 50 0 EKAARN CCc1ccc2c(c1)N=C(c1ccc(C)o1)NC(c1ccc(F)cc1)=N2 ZINC000006743721 564096808 /nfs/dbraw/zinc/09/68/08/564096808.db2.gz XMSMWEJHDNKDHU-UHFFFAOYSA-N 0 0 347.393 5.240 50 0 EKAARN CCc1ccc2c(c1)N=C(c1cccs1)NC(c1cccs1)=N2 ZINC000006743749 564096820 /nfs/dbraw/zinc/09/68/20/564096820.db2.gz SGVWYIXWXBNSJL-UHFFFAOYSA-N 0 0 337.473 5.323 50 0 EKAARN Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(F)cc3)N2)cc1 ZINC000006743755 564096818 /nfs/dbraw/zinc/09/68/18/564096818.db2.gz YWJCINVZEOZHMM-UHFFFAOYSA-N 0 0 329.378 5.085 50 0 EKAARN Cc1ccc(-c2nc(-c3cccnc3)[nH]c2-c2ccccc2)cc1C ZINC000006745424 564033488 /nfs/dbraw/zinc/03/34/88/564033488.db2.gz HDESTMKJMRNMEP-UHFFFAOYSA-N 0 0 325.415 5.423 50 0 EKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1 ZINC000006747321 564033403 /nfs/dbraw/zinc/03/34/03/564033403.db2.gz OPIZCUBYNKNFOR-UHFFFAOYSA-N 0 0 345.851 5.146 50 0 EKAARN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 ZINC000006747470 210699230 /nfs/dbraw/zinc/69/92/30/210699230.db2.gz LZLOSCZFUSZHDE-UHFFFAOYSA-N 0 0 347.458 5.420 50 0 EKAARN CC(C)c1ccc(NC(=O)c2n[nH]c3c2CSc2ccccc2-3)cc1 ZINC000006748605 564097042 /nfs/dbraw/zinc/09/70/42/564097042.db2.gz IDMSJLANSWBOQG-UHFFFAOYSA-N 0 0 349.459 5.058 50 0 EKAARN CCc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000006750788 564097139 /nfs/dbraw/zinc/09/71/39/564097139.db2.gz RONYOPGEFYJDJW-UHFFFAOYSA-N 0 0 345.446 5.052 50 0 EKAARN O=C(Nc1ccc(F)cc1)c1cc2c(s1)-c1ccccc1SC2 ZINC000006751964 564097216 /nfs/dbraw/zinc/09/72/16/564097216.db2.gz JPSQHFXPNAZINE-UHFFFAOYSA-N 0 0 341.432 5.412 50 0 EKAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752021 210702115 /nfs/dbraw/zinc/70/21/15/210702115.db2.gz HZJCHNOTRLVUNS-DOMZBBRYSA-N 0 0 343.517 5.329 50 0 EKAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752022 564097189 /nfs/dbraw/zinc/09/71/89/564097189.db2.gz HZJCHNOTRLVUNS-WFASDCNBSA-N 0 0 343.517 5.329 50 0 EKAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752023 564097201 /nfs/dbraw/zinc/09/72/01/564097201.db2.gz HZJCHNOTRLVUNS-IUODEOHRSA-N 0 0 343.517 5.329 50 0 EKAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752024 564097217 /nfs/dbraw/zinc/09/72/17/564097217.db2.gz HZJCHNOTRLVUNS-SWLSCSKDSA-N 0 0 343.517 5.329 50 0 EKAARN CCCCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000006752636 210703231 /nfs/dbraw/zinc/70/32/31/210703231.db2.gz RRUUGODGUBCZPC-UHFFFAOYSA-N 0 0 329.241 5.266 50 0 EKAARN Cc1cccc(OCCn2c3ccccc3nc2-c2cccc(C)c2)c1 ZINC000006752639 564097184 /nfs/dbraw/zinc/09/71/84/564097184.db2.gz PVKXLIMJHQMWEO-UHFFFAOYSA-N 0 0 342.442 5.399 50 0 EKAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000006752641 564097208 /nfs/dbraw/zinc/09/72/08/564097208.db2.gz DIEBTOIOOZCNQG-UHFFFAOYSA-N 0 0 332.369 5.337 50 0 EKAARN CCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000006752646 564097199 /nfs/dbraw/zinc/09/71/99/564097199.db2.gz FTKDLDXPNJPQBE-UHFFFAOYSA-N 0 0 336.479 5.500 50 0 EKAARN CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000006752649 564097218 /nfs/dbraw/zinc/09/72/18/564097218.db2.gz DEBHVKFZPPFSIG-UHFFFAOYSA-N 0 0 328.843 5.111 50 0 EKAARN CCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000006752653 564097194 /nfs/dbraw/zinc/09/71/94/564097194.db2.gz PIHWWOIDMQWWQO-UHFFFAOYSA-N 0 0 342.870 5.501 50 0 EKAARN Clc1ccccc1OCCn1c2ccccc2nc1-c1ccccc1 ZINC000006752654 564097203 /nfs/dbraw/zinc/09/72/03/564097203.db2.gz DGRRRSPAOORXIY-UHFFFAOYSA-N 0 0 348.833 5.436 50 0 EKAARN Cc1ccccc1OCCCCn1c2ccccc2nc1-c1ccco1 ZINC000006752657 564097215 /nfs/dbraw/zinc/09/72/15/564097215.db2.gz YLNKQWXLZPTGIE-UHFFFAOYSA-N 0 0 346.430 5.464 50 0 EKAARN Cc1ccc(C(C)C)c(OCCCSc2nc3ccccc3[nH]2)c1 ZINC000006752662 564097205 /nfs/dbraw/zinc/09/72/05/564097205.db2.gz YZERZGCJVLQJNF-UHFFFAOYSA-N 0 0 340.492 5.556 50 0 EKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Oc1ccccc1 ZINC000006754191 564097254 /nfs/dbraw/zinc/09/72/54/564097254.db2.gz SDDRTFCVWPWXOB-UHFFFAOYSA-N 0 0 347.458 5.765 50 0 EKAARN Clc1ccccc1[C@@H]1CC(c2ccco2)=Nc2ccccc2S1 ZINC000006756846 564097268 /nfs/dbraw/zinc/09/72/68/564097268.db2.gz JARBOGZDNLAGRE-IBGZPJMESA-N 0 0 339.847 6.291 50 0 EKAARN Fc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ccccc2S1 ZINC000006756847 564097285 /nfs/dbraw/zinc/09/72/85/564097285.db2.gz HHHRWLQLBQPXRL-IBGZPJMESA-N 0 0 339.460 6.245 50 0 EKAARN Clc1ccccc1[C@H]1CC(c2ccco2)=Nc2ccccc2S1 ZINC000006756858 564097311 /nfs/dbraw/zinc/09/73/11/564097311.db2.gz JARBOGZDNLAGRE-LJQANCHMSA-N 0 0 339.847 6.291 50 0 EKAARN Fc1ccccc1[C@H]1CC(c2cccs2)=Nc2ccccc2S1 ZINC000006756859 564097303 /nfs/dbraw/zinc/09/73/03/564097303.db2.gz HHHRWLQLBQPXRL-LJQANCHMSA-N 0 0 339.460 6.245 50 0 EKAARN Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1 ZINC000006757166 563585788 /nfs/dbraw/zinc/58/57/88/563585788.db2.gz JXJGDFRTVLTJPC-NRFANRHFSA-N 0 0 331.440 5.750 50 0 EKAARN Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1 ZINC000006757213 563585669 /nfs/dbraw/zinc/58/56/69/563585669.db2.gz JXJGDFRTVLTJPC-OAQYLSRUSA-N 0 0 331.440 5.750 50 0 EKAARN Clc1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 ZINC000006757339 564097312 /nfs/dbraw/zinc/09/73/12/564097312.db2.gz CQRCHVILXSKUJO-LJQANCHMSA-N 0 0 339.847 6.291 50 0 EKAARN c1coc(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000006757342 564097304 /nfs/dbraw/zinc/09/73/04/564097304.db2.gz NZWQVOFFEZGWCA-HXUWFJFHSA-N 0 0 349.411 5.366 50 0 EKAARN Clc1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 ZINC000006757348 210704691 /nfs/dbraw/zinc/70/46/91/210704691.db2.gz CQRCHVILXSKUJO-IBGZPJMESA-N 0 0 339.847 6.291 50 0 EKAARN c1coc(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000006757350 564097293 /nfs/dbraw/zinc/09/72/93/564097293.db2.gz NZWQVOFFEZGWCA-FQEVSTJZSA-N 0 0 349.411 5.366 50 0 EKAARN CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006757411 210703783 /nfs/dbraw/zinc/70/37/83/210703783.db2.gz QTLZDLOWJRUZMV-INIZCTEOSA-N 0 0 339.479 5.264 50 0 EKAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N[C@@H](C)c1ccccc1 ZINC000006759273 564097317 /nfs/dbraw/zinc/09/73/17/564097317.db2.gz HCEKXKZKHDFBFN-ZDUSSCGKSA-N 0 0 334.448 5.029 50 0 EKAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N[C@H](C)c1ccccc1 ZINC000006759274 564097305 /nfs/dbraw/zinc/09/73/05/564097305.db2.gz HCEKXKZKHDFBFN-CYBMUJFWSA-N 0 0 334.448 5.029 50 0 EKAARN CSc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000006762943 564097373 /nfs/dbraw/zinc/09/73/73/564097373.db2.gz UUIHXMMFRMWGNK-UHFFFAOYSA-N 0 0 343.835 5.574 50 0 EKAARN CCCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000006764210 201695466 /nfs/dbraw/zinc/69/54/66/201695466.db2.gz WDZRXRWXNKMXHU-UHFFFAOYSA-N 0 0 342.874 5.269 50 0 EKAARN Fc1ccc([C@@H](CCNc2nccs2)c2ccc(Cl)cc2)cc1 ZINC000006764589 210705509 /nfs/dbraw/zinc/70/55/09/210705509.db2.gz BRSPFKPWBHGLKD-KRWDZBQOSA-N 0 0 346.858 5.570 50 0 EKAARN Fc1ccc([C@H](CCNc2nccs2)c2ccc(Cl)cc2)cc1 ZINC000006764590 564097368 /nfs/dbraw/zinc/09/73/68/564097368.db2.gz BRSPFKPWBHGLKD-QGZVFWFLSA-N 0 0 346.858 5.570 50 0 EKAARN Clc1ccc2c(c1)nc(-c1ccccc1)nc2NCc1ccccc1 ZINC000006765386 564097377 /nfs/dbraw/zinc/09/73/77/564097377.db2.gz FHCCUYWZZZWBCN-UHFFFAOYSA-N 0 0 345.833 5.562 50 0 EKAARN Cc1c(NC(=O)C(C)C)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000006766396 210705648 /nfs/dbraw/zinc/70/56/48/210705648.db2.gz FFCZTQQIKJFZNL-UHFFFAOYSA-N 0 0 328.799 5.051 50 0 EKAARN Clc1ccc2c(c1)nc(-c1ccccc1)nc2NCc1ccco1 ZINC000006766504 564097363 /nfs/dbraw/zinc/09/73/63/564097363.db2.gz KRWUORBARLQWHV-UHFFFAOYSA-N 0 0 335.794 5.155 50 0 EKAARN Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000006771756 564097500 /nfs/dbraw/zinc/09/75/00/564097500.db2.gz CWJDTQOHSHFLCA-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN CC[C@@H](C)Nc1nc(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000006773491 564097562 /nfs/dbraw/zinc/09/75/62/564097562.db2.gz KBXOZRFBJKCCEE-CYBMUJFWSA-N 0 0 325.843 5.084 50 0 EKAARN CC[C@H](C)Nc1nc(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000006773492 564097571 /nfs/dbraw/zinc/09/75/71/564097571.db2.gz KBXOZRFBJKCCEE-ZDUSSCGKSA-N 0 0 325.843 5.084 50 0 EKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000006773704 210707713 /nfs/dbraw/zinc/70/77/13/210707713.db2.gz LQZQKQZHKSLFKE-UHFFFAOYSA-N 0 0 345.377 5.188 50 0 EKAARN COc1ccc(-c2nc3ccccc3c(Nc3ccccc3F)n2)cc1 ZINC000006773706 564097563 /nfs/dbraw/zinc/09/75/63/564097563.db2.gz UWNVYWNBWHENPK-UHFFFAOYSA-N 0 0 345.377 5.188 50 0 EKAARN Clc1ccc2c(c1)nc(-c1ccco1)nc2NC1CCCCC1 ZINC000006774045 564097566 /nfs/dbraw/zinc/09/75/66/564097566.db2.gz RSWLHQOMQDCFNP-UHFFFAOYSA-N 0 0 327.815 5.288 50 0 EKAARN C[C@H](Nc1nc(-c2ccco2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000006774072 564097557 /nfs/dbraw/zinc/09/75/57/564097557.db2.gz CFGGATOIIYGGLE-ZDUSSCGKSA-N 0 0 349.821 5.716 50 0 EKAARN C[C@@H](Nc1nc(-c2ccco2)nc2cc(Cl)ccc21)c1ccccc1 ZINC000006774074 564033495 /nfs/dbraw/zinc/03/34/95/564033495.db2.gz CFGGATOIIYGGLE-CYBMUJFWSA-N 0 0 349.821 5.716 50 0 EKAARN Cc1c(C)c(C(=O)Nc2cccc(C)c2)n(Cc2cccc(C)c2)c1C ZINC000006774330 564033486 /nfs/dbraw/zinc/03/34/86/564033486.db2.gz IJOLGDRTRCFHNI-UHFFFAOYSA-N 0 0 346.474 5.331 50 0 EKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4cccs4)c(C)c3)nc21 ZINC000006774992 564097515 /nfs/dbraw/zinc/09/75/15/564097515.db2.gz NEPBJRCRHFRVMS-UHFFFAOYSA-N 0 0 348.427 5.425 50 0 EKAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(NCC(C)C)n2)cc1 ZINC000006775010 564097512 /nfs/dbraw/zinc/09/75/12/564097512.db2.gz KJWQXADCFMAWDC-UHFFFAOYSA-N 0 0 325.843 5.327 50 0 EKAARN Fc1ccc(Nc2nc(-c3ccccc3)nc3cc(Cl)ccc32)cc1 ZINC000006775114 564097537 /nfs/dbraw/zinc/09/75/37/564097537.db2.gz BACYWZBJVSXQJK-UHFFFAOYSA-N 0 0 349.796 5.833 50 0 EKAARN Fc1ccccc1Nc1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000006775116 564097524 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/nfs/dbraw/zinc/13/55/13/564135513.db2.gz YWHIFPJVMALTKP-UHFFFAOYSA-N 0 0 331.415 5.058 50 0 EKAARN CCc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000007950873 210867927 /nfs/dbraw/zinc/86/79/27/210867927.db2.gz WDUWAJRWDKIAKU-UHFFFAOYSA-N 0 0 331.415 5.004 50 0 EKAARN Cc1cccc(NCC(=O)Nc2ccccc2Oc2ccccc2)c1C ZINC000007953578 210869295 /nfs/dbraw/zinc/86/92/95/210869295.db2.gz ARGNTBSAECGCTH-UHFFFAOYSA-N 0 0 346.430 5.146 50 0 EKAARN COc1ccc(NC(=O)c2sc3ccccc3c2C)cc1Cl ZINC000007955991 564136425 /nfs/dbraw/zinc/13/64/25/564136425.db2.gz PKJQIYCZBIIQOV-UHFFFAOYSA-N 0 0 331.824 5.124 50 0 EKAARN Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1 ZINC000007958493 210870537 /nfs/dbraw/zinc/87/05/37/210870537.db2.gz UTTFFDFRBMUFAV-UHFFFAOYSA-N 0 0 340.379 5.051 50 0 EKAARN CC(C)c1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000007967043 564144111 /nfs/dbraw/zinc/14/41/11/564144111.db2.gz FXMJTMKFCYCLKS-UHFFFAOYSA-N 0 0 336.460 5.115 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)o1 ZINC000007967655 564144354 /nfs/dbraw/zinc/14/43/54/564144354.db2.gz GBIZFXFIDXPHMT-UHFFFAOYSA-N 0 0 338.388 5.018 50 0 EKAARN COc1cc2c(cc1NC(=O)c1ccc(C)s1)oc1ccccc12 ZINC000007971216 564092112 /nfs/dbraw/zinc/09/21/12/564092112.db2.gz SUFYNEIXOFESMN-UHFFFAOYSA-N 0 0 337.400 5.217 50 0 EKAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3s2)c(C)c1 ZINC000007974706 564015886 /nfs/dbraw/zinc/01/58/86/564015886.db2.gz GRHGPZVYTUQZHD-UHFFFAOYSA-N 0 0 327.474 5.197 50 0 EKAARN CCc1cc2c(ncnc2SCCCC(=O)c2ccccc2)s1 ZINC000007975782 258053389 /nfs/dbraw/zinc/05/33/89/258053389.db2.gz JSSOHKUZHATHDN-UHFFFAOYSA-N 0 0 342.489 5.009 50 0 EKAARN CCCCOc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000007977859 564161673 /nfs/dbraw/zinc/16/16/73/564161673.db2.gz FFRCWUKNKOZLCM-UHFFFAOYSA-N 0 0 347.842 5.088 50 0 EKAARN CC(=O)c1ccccc1NC(=O)c1cc2c(cccc2Cl)s1 ZINC000007980899 564161703 /nfs/dbraw/zinc/16/17/03/564161703.db2.gz WSZRPZJBABJOKG-UHFFFAOYSA-N 0 0 329.808 5.010 50 0 EKAARN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000007980974 564161690 /nfs/dbraw/zinc/16/16/90/564161690.db2.gz AEYMZOIVMFBMBP-OAHLLOKOSA-N 0 0 349.908 5.029 50 0 EKAARN CSc1ccc(Cl)c(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000007980977 563609555 /nfs/dbraw/zinc/60/95/55/563609555.db2.gz AEYMZOIVMFBMBP-HNNXBMFYSA-N 0 0 349.908 5.029 50 0 EKAARN Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(-n2cccc2)c1 ZINC000007981122 563622765 /nfs/dbraw/zinc/62/27/65/563622765.db2.gz NOBIBBGQCQKGON-UHFFFAOYSA-N 0 0 333.431 5.302 50 0 EKAARN COc1cccc(Nc2nnc(S[C@@H](C)c3ccccc3)s2)c1 ZINC000007983455 210875595 /nfs/dbraw/zinc/87/55/95/210875595.db2.gz UFWZVSDCBBBABE-LBPRGKRZSA-N 0 0 343.477 5.144 50 0 EKAARN COc1cccc(Nc2nnc(S[C@H](C)c3ccccc3)s2)c1 ZINC000007983458 563920138 /nfs/dbraw/zinc/92/01/38/563920138.db2.gz UFWZVSDCBBBABE-GFCCVEGCSA-N 0 0 343.477 5.144 50 0 EKAARN CN(C(=O)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000007984834 563966007 /nfs/dbraw/zinc/96/60/07/563966007.db2.gz MISZJXSFSHPFKG-UHFFFAOYSA-N 0 0 334.394 5.079 50 0 EKAARN O=C(C1CC1)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000007985811 564161844 /nfs/dbraw/zinc/16/18/44/564161844.db2.gz AFYIPWOORAOSDR-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN CC(C)C(=O)N(c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000007985815 563992586 /nfs/dbraw/zinc/99/25/86/563992586.db2.gz QFOLWFCWDHVVBP-UHFFFAOYSA-N 0 0 330.840 5.270 50 0 EKAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1NC1CCCCC1 ZINC000007986095 564161799 /nfs/dbraw/zinc/16/17/99/564161799.db2.gz APISZLLCOGJULN-UHFFFAOYSA-N 0 0 348.446 5.738 50 0 EKAARN CSc1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007986494 210876855 /nfs/dbraw/zinc/87/68/55/210876855.db2.gz SKUYKMMTTLZGED-UHFFFAOYSA-N 0 0 340.492 5.041 50 0 EKAARN FC(F)(F)c1ccc(Cl)c(Nc2nc3ccc(Cl)cc3o2)c1 ZINC000007986566 563993554 /nfs/dbraw/zinc/99/35/54/563993554.db2.gz MTTPNLSYJNEDBA-UHFFFAOYSA-N 0 0 347.123 5.897 50 0 EKAARN COc1cccc(/C=C/C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000007986966 525763302 /nfs/dbraw/zinc/76/33/02/525763302.db2.gz ZPPNVDXKJNQDSK-BUHFOSPRSA-N 0 0 345.398 5.139 50 0 EKAARN Clc1ccc2[nH]c(COc3ccc(Cl)cc3Cl)nc2c1 ZINC000007987364 564161877 /nfs/dbraw/zinc/16/18/77/564161877.db2.gz INBOQZVHGRECOI-UHFFFAOYSA-N 0 0 327.598 5.102 50 0 EKAARN CC(C)C(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000007987372 564161874 /nfs/dbraw/zinc/16/18/74/564161874.db2.gz ZEFWEPRCBIITCA-UHFFFAOYSA-N 0 0 340.423 5.270 50 0 EKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC=CCC1 ZINC000007987869 564161914 /nfs/dbraw/zinc/16/19/14/564161914.db2.gz MDKFAUNJUMPLEZ-AWEZNQCLSA-N 0 0 334.444 5.258 50 0 EKAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC=CCC1 ZINC000007987870 564161897 /nfs/dbraw/zinc/16/18/97/564161897.db2.gz MDKFAUNJUMPLEZ-CQSZACIVSA-N 0 0 334.444 5.258 50 0 EKAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000007988129 564161909 /nfs/dbraw/zinc/16/19/09/564161909.db2.gz IVCXDUCAWYCJPX-JOCHJYFZSA-N 0 0 343.426 5.286 50 0 EKAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000007988130 564161901 /nfs/dbraw/zinc/16/19/01/564161901.db2.gz IVCXDUCAWYCJPX-QFIPXVFZSA-N 0 0 343.426 5.286 50 0 EKAARN O=C(Nc1ccccc1Cc1ccccc1)c1cccc2cccnc21 ZINC000007988363 564161933 /nfs/dbraw/zinc/16/19/33/564161933.db2.gz FIXLUEBTMKWQTQ-UHFFFAOYSA-N 0 0 338.410 5.078 50 0 EKAARN Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)s1 ZINC000007988776 210878411 /nfs/dbraw/zinc/87/84/11/210878411.db2.gz GGEQIVKBBWOGPM-UHFFFAOYSA-N 0 0 333.762 5.289 50 0 EKAARN CCCOc1ccccc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000007989383 564017363 /nfs/dbraw/zinc/01/73/63/564017363.db2.gz BRENSLULBZOZNB-UHFFFAOYSA-N 0 0 347.340 5.181 50 0 EKAARN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000007989452 210878065 /nfs/dbraw/zinc/87/80/65/210878065.db2.gz WITQGKPVFQOIAU-KRWDZBQOSA-N 0 0 347.414 5.193 50 0 EKAARN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000007989453 564161963 /nfs/dbraw/zinc/16/19/63/564161963.db2.gz WITQGKPVFQOIAU-QGZVFWFLSA-N 0 0 347.414 5.193 50 0 EKAARN Cc1cccc(Nc2nnc(SCc3ccccc3Cl)s2)c1 ZINC000007989677 564161958 /nfs/dbraw/zinc/16/19/58/564161958.db2.gz AZVMWEPOVXVPNG-UHFFFAOYSA-N 0 0 347.896 5.536 50 0 EKAARN Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)s2)cc1 ZINC000007989942 564162012 /nfs/dbraw/zinc/16/20/12/564162012.db2.gz BIIXXJAWQDNQKX-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN Clc1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000007990398 564091933 /nfs/dbraw/zinc/09/19/33/564091933.db2.gz XCAYNGAHVADTNR-UHFFFAOYSA-N 0 0 338.819 5.804 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3ccc(-c4nccs4)cc3)coc2c1 ZINC000007990751 210878601 /nfs/dbraw/zinc/87/86/01/210878601.db2.gz YTCVHEKBZCFZBO-UHFFFAOYSA-N 0 0 348.427 5.046 50 0 EKAARN FC(F)(F)c1nc2ccccc2c(N2CCC[C@@H]2c2cccs2)n1 ZINC000007990806 564162016 /nfs/dbraw/zinc/16/20/16/564162016.db2.gz XHHWCUXJNHPNKE-CYBMUJFWSA-N 0 0 349.381 5.052 50 0 EKAARN FC(F)(F)c1nc2ccccc2c(N2CCC[C@H]2c2cccs2)n1 ZINC000007990807 564162035 /nfs/dbraw/zinc/16/20/35/564162035.db2.gz XHHWCUXJNHPNKE-ZDUSSCGKSA-N 0 0 349.381 5.052 50 0 EKAARN CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000007990850 564162039 /nfs/dbraw/zinc/16/20/39/564162039.db2.gz FCQCBBOPFAXQQC-UHFFFAOYSA-N 0 0 343.348 5.131 50 0 EKAARN Clc1cccc(Cl)c1CSc1nc2ccccc2s1 ZINC000007994944 564162021 /nfs/dbraw/zinc/16/20/21/564162021.db2.gz OJSYUWVYWILDOJ-UHFFFAOYSA-N 0 0 326.273 5.895 50 0 EKAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc2ccccc21 ZINC000007995671 564162019 /nfs/dbraw/zinc/16/20/19/564162019.db2.gz DPWUICFOZNCZSN-UHFFFAOYSA-N 0 0 344.439 5.145 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C(C)C ZINC000007995921 564076783 /nfs/dbraw/zinc/07/67/83/564076783.db2.gz GFANEGGNXAPGSJ-UHFFFAOYSA-N 0 0 336.460 5.494 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000007995927 564076776 /nfs/dbraw/zinc/07/67/76/564076776.db2.gz WJAYORVTYAVZEM-UHFFFAOYSA-N 0 0 336.460 5.494 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1Cl ZINC000007995998 564162024 /nfs/dbraw/zinc/16/20/24/564162024.db2.gz DTVCUJGSBRTHPP-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000007996001 564162022 /nfs/dbraw/zinc/16/20/22/564162022.db2.gz MQYSSCNPSBJMRK-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1C ZINC000007996011 564076832 /nfs/dbraw/zinc/07/68/32/564076832.db2.gz CPGDUXKRJXRKMK-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000007996013 564076847 /nfs/dbraw/zinc/07/68/47/564076847.db2.gz JXTFSJVHGJGMDR-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(Cl)ccc1C ZINC000007996017 210879351 /nfs/dbraw/zinc/87/93/51/210879351.db2.gz PQCBNFCOYPKCCU-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1C ZINC000007996036 210880008 /nfs/dbraw/zinc/88/00/08/210880008.db2.gz NIYCJHRTZOAFLW-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000007996238 564076966 /nfs/dbraw/zinc/07/69/66/564076966.db2.gz YURDICHNTXQGGT-UHFFFAOYSA-N 0 0 346.814 5.163 50 0 EKAARN COc1ccc(Nc2nc(C)nc3sc(-c4ccccc4)cc32)cc1 ZINC000007996849 564162059 /nfs/dbraw/zinc/16/20/59/564162059.db2.gz FZLIGEJIMXAANG-UHFFFAOYSA-N 0 0 347.443 5.419 50 0 EKAARN Cc1ccccc1NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000007997574 564162046 /nfs/dbraw/zinc/16/20/46/564162046.db2.gz BDRIATBSFRNIEM-UHFFFAOYSA-N 0 0 345.320 5.526 50 0 EKAARN Clc1ccc(OCCCCSCc2nc3ccccc3[nH]2)cc1 ZINC000007998513 210880511 /nfs/dbraw/zinc/88/05/11/210880511.db2.gz FZHATPJUMVQVIP-UHFFFAOYSA-N 0 0 346.883 5.309 50 0 EKAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl ZINC000008007572 564162101 /nfs/dbraw/zinc/16/21/01/564162101.db2.gz SAJCEVOIGWLFJN-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000008007875 564162102 /nfs/dbraw/zinc/16/21/02/564162102.db2.gz IYDNIXVSSZDLFJ-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN Cc1nc(SCc2nc3ccccc3o2)n(C2CCCC2)c1C ZINC000008013035 564162127 /nfs/dbraw/zinc/16/21/27/564162127.db2.gz XUFJFIFKXTWVKB-UHFFFAOYSA-N 0 0 327.453 5.049 50 0 EKAARN CC(C)[C@H](NC(=O)c1csc(-c2ccsc2)n1)c1cccs1 ZINC000008013306 564162131 /nfs/dbraw/zinc/16/21/31/564162131.db2.gz UKHLNUBCZCDIIS-AWEZNQCLSA-N 0 0 348.518 5.060 50 0 EKAARN CC(C)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)c1cccs1 ZINC000008013310 210882699 /nfs/dbraw/zinc/88/26/99/210882699.db2.gz UKHLNUBCZCDIIS-CQSZACIVSA-N 0 0 348.518 5.060 50 0 EKAARN CCN(CC)c1ccc2cc(-c3ccc(Cl)cc3Cl)oc2c1 ZINC000008023322 564162189 /nfs/dbraw/zinc/16/21/89/564162189.db2.gz FWXMVRINVCSKPT-UHFFFAOYSA-N 0 0 334.246 6.253 50 0 EKAARN Fc1ccc(CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 ZINC000008023390 564162188 /nfs/dbraw/zinc/16/21/88/564162188.db2.gz TWQCWPZXPXHMBO-UHFFFAOYSA-N 0 0 340.467 5.592 50 0 EKAARN Fc1cccc(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 ZINC000008023423 564162201 /nfs/dbraw/zinc/16/22/01/564162201.db2.gz ICMCNJIPGHMSPL-UHFFFAOYSA-N 0 0 340.467 5.592 50 0 EKAARN Cc1cccc(CSC2=NC3(CCCCC3)Nc3ccccc32)c1 ZINC000008023495 564162205 /nfs/dbraw/zinc/16/22/05/564162205.db2.gz SKDBWKGLPLQMFG-UHFFFAOYSA-N 0 0 336.504 5.761 50 0 EKAARN CSc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000008023958 564162218 /nfs/dbraw/zinc/16/22/18/564162218.db2.gz HCTBJCRNFAYXHM-UHFFFAOYSA-N 0 0 337.897 5.183 50 0 EKAARN Fc1cccc2c3c(cnc12)c(-c1ccccc1)nn3-c1ccccc1 ZINC000008024070 564162222 /nfs/dbraw/zinc/16/22/22/564162222.db2.gz LZKYDQHXLWUHAT-UHFFFAOYSA-N 0 0 339.373 5.380 50 0 EKAARN Oc1cccc2ccc(/C=C/c3cccc(Oc4ccccc4)c3)nc12 ZINC000008036176 563619658 /nfs/dbraw/zinc/61/96/58/563619658.db2.gz CQIFGURCCXJHKK-WYMLVPIESA-N 0 0 339.394 5.903 50 0 EKAARN Clc1cccc(Cl)c1CSc1nnc(C2CCCCC2)o1 ZINC000008038330 564162320 /nfs/dbraw/zinc/16/23/20/564162320.db2.gz DLCCZXCIQGVHRW-UHFFFAOYSA-N 0 0 343.279 5.716 50 0 EKAARN c1ccc(-c2nnc(COc3ccc(C4CCCCC4)cc3)o2)cc1 ZINC000008040471 564162349 /nfs/dbraw/zinc/16/23/49/564162349.db2.gz QAFWOTNNJIUODP-UHFFFAOYSA-N 0 0 334.419 5.363 50 0 EKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000008040815 564034656 /nfs/dbraw/zinc/03/46/56/564034656.db2.gz IGLIFNOSLGRKCZ-KRWDZBQOSA-N 0 0 347.414 5.193 50 0 EKAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000008040816 564162351 /nfs/dbraw/zinc/16/23/51/564162351.db2.gz IGLIFNOSLGRKCZ-QGZVFWFLSA-N 0 0 347.414 5.193 50 0 EKAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000008041585 564162346 /nfs/dbraw/zinc/16/23/46/564162346.db2.gz MNOAJJWYBPYXQJ-UHFFFAOYSA-N 0 0 331.415 5.393 50 0 EKAARN Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(C)cc1 ZINC000008042066 564162394 /nfs/dbraw/zinc/16/23/94/564162394.db2.gz XFQYQZHHMKIIQH-UHFFFAOYSA-N 0 0 348.471 5.442 50 0 EKAARN Cc1nc(-c2cccc(NC(=O)C3CC3)c2)sc1-c1ccccc1 ZINC000008042067 564162375 /nfs/dbraw/zinc/16/23/75/564162375.db2.gz WCSJFQCEDLJZLI-UHFFFAOYSA-N 0 0 334.444 5.134 50 0 EKAARN Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 ZINC000008042089 564162384 /nfs/dbraw/zinc/16/23/84/564162384.db2.gz NIQCFMGHSJLONU-UHFFFAOYSA-N 0 0 340.473 5.196 50 0 EKAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000008048939 564162401 /nfs/dbraw/zinc/16/24/01/564162401.db2.gz QHEKFZIHXGZXOU-LBPRGKRZSA-N 0 0 338.234 5.016 50 0 EKAARN Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1C ZINC000008048944 564162391 /nfs/dbraw/zinc/16/23/91/564162391.db2.gz QHEKFZIHXGZXOU-GFCCVEGCSA-N 0 0 338.234 5.016 50 0 EKAARN CSc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 ZINC000008049624 210888013 /nfs/dbraw/zinc/88/80/13/210888013.db2.gz MBICBRNMFQOELJ-UHFFFAOYSA-N 0 0 349.455 5.163 50 0 EKAARN CSc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 ZINC000008049675 564034619 /nfs/dbraw/zinc/03/46/19/564034619.db2.gz JCCIQZNCJYKNIW-UHFFFAOYSA-N 0 0 346.502 5.154 50 0 EKAARN CCOc1ccc(NC(=O)c2sccc2-c2ccc(C)cc2)cc1 ZINC000008060363 564162435 /nfs/dbraw/zinc/16/24/35/564162435.db2.gz KKMRQXFHCRBIOR-UHFFFAOYSA-N 0 0 337.444 5.375 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1sc(-c2cccs2)nc1C ZINC000008060485 210888560 /nfs/dbraw/zinc/88/85/60/210888560.db2.gz YWAUGKJPPGXLON-UHFFFAOYSA-N 0 0 342.489 5.303 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000008060491 205843021 /nfs/dbraw/zinc/84/30/21/205843021.db2.gz SRJQXMVYGLNOBO-UHFFFAOYSA-N 0 0 335.472 5.847 50 0 EKAARN CCOc1ccccc1NC(=O)c1sccc1-c1ccc(C)cc1 ZINC000008061015 564162452 /nfs/dbraw/zinc/16/24/52/564162452.db2.gz QDVQTJZCIMFGDW-UHFFFAOYSA-N 0 0 337.444 5.375 50 0 EKAARN Cc1cc(F)ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008061672 210888532 /nfs/dbraw/zinc/88/85/32/210888532.db2.gz WSWINNNNHBEELZ-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN CN(c1ncnc2cc(-c3ccc(F)cc3)sc21)C1CCCCC1 ZINC000008071666 210890017 /nfs/dbraw/zinc/89/00/17/210890017.db2.gz UEXIVNYOIKHDHZ-UHFFFAOYSA-N 0 0 341.455 5.266 50 0 EKAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1c(C)cc(C)cc1Cl ZINC000008073620 564162528 /nfs/dbraw/zinc/16/25/28/564162528.db2.gz SDUWWNVJERGOAZ-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN CC(C)COc1ccccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000008073724 563620741 /nfs/dbraw/zinc/62/07/41/563620741.db2.gz WQUROKYXCIKGPS-UHFFFAOYSA-N 0 0 338.234 5.281 50 0 EKAARN CCOc1ccc(N(C(=O)C(C)C)c2nc3ccccc3s2)cc1 ZINC000008076024 210892034 /nfs/dbraw/zinc/89/20/34/210892034.db2.gz WUIOXJGRHJISBK-UHFFFAOYSA-N 0 0 340.448 5.016 50 0 EKAARN Cc1ccc(F)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC000008079134 564162606 /nfs/dbraw/zinc/16/26/06/564162606.db2.gz GMGGWRPMJPVMFJ-UHFFFAOYSA-N 0 0 325.408 5.018 50 0 EKAARN COc1ccccc1Nc1nnc(S[C@@H](C)c2ccccc2)s1 ZINC000008089641 210893154 /nfs/dbraw/zinc/89/31/54/210893154.db2.gz JKHFHAAUQCDSGV-LBPRGKRZSA-N 0 0 343.477 5.144 50 0 EKAARN COc1ccccc1Nc1nnc(S[C@H](C)c2ccccc2)s1 ZINC000008089642 564162659 /nfs/dbraw/zinc/16/26/59/564162659.db2.gz JKHFHAAUQCDSGV-GFCCVEGCSA-N 0 0 343.477 5.144 50 0 EKAARN Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1-c1nccs1 ZINC000008102693 205842917 /nfs/dbraw/zinc/84/29/17/205842917.db2.gz AQYCLUAMIKCKAH-UHFFFAOYSA-N 0 0 343.502 5.403 50 0 EKAARN CC(C)C(=O)Nc1ccc(-c2csc(-c3ccsc3)n2)cc1 ZINC000008102837 564162667 /nfs/dbraw/zinc/16/26/67/564162667.db2.gz FKMVNLOLSUQDQY-UHFFFAOYSA-N 0 0 328.462 5.133 50 0 EKAARN C[C@H](NCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000008121629 564034720 /nfs/dbraw/zinc/03/47/20/564034720.db2.gz CIIASBULAXUPMV-LBPRGKRZSA-N 0 0 347.245 5.499 50 0 EKAARN C[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000008121630 564162797 /nfs/dbraw/zinc/16/27/97/564162797.db2.gz CIIASBULAXUPMV-GFCCVEGCSA-N 0 0 347.245 5.499 50 0 EKAARN Cc1cccc(OCCCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000008128986 564162941 /nfs/dbraw/zinc/16/29/41/564162941.db2.gz XBOOUELGGGXHMS-UHFFFAOYSA-N 0 0 338.234 5.100 50 0 EKAARN Cc1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1 ZINC000008132927 564163057 /nfs/dbraw/zinc/16/30/57/564163057.db2.gz ZZCOOQAVJRCBTA-UHFFFAOYSA-N 0 0 339.439 5.020 50 0 EKAARN Clc1ccc(-c2[nH]c3ccccc3c2-c2ncc[nH]2)c(Cl)c1 ZINC000008135254 210901548 /nfs/dbraw/zinc/90/15/48/210901548.db2.gz BTZHCACRHMODKT-UHFFFAOYSA-N 0 0 328.202 5.532 50 0 EKAARN Clc1ccc2sc(SCc3cc(-c4ccco4)on3)nc2c1 ZINC000008154011 564163218 /nfs/dbraw/zinc/16/32/18/564163218.db2.gz YHCYLVWVJMSADY-UHFFFAOYSA-N 0 0 348.836 5.490 50 0 EKAARN Clc1ccc2nc(NCc3ccco3)nc(-c3ccccc3)c2c1 ZINC000008156574 564163249 /nfs/dbraw/zinc/16/32/49/564163249.db2.gz YTRHRIXDVHVHJJ-UHFFFAOYSA-N 0 0 335.794 5.155 50 0 EKAARN C[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000008167464 210906406 /nfs/dbraw/zinc/90/64/06/210906406.db2.gz QEQUEWJQGQEHIO-INIZCTEOSA-N 0 0 343.426 5.048 50 0 EKAARN C[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 ZINC000008167470 210906252 /nfs/dbraw/zinc/90/62/52/210906252.db2.gz QEQUEWJQGQEHIO-MRXNPFEDSA-N 0 0 343.426 5.048 50 0 EKAARN O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCCCCC1 ZINC000008181516 564163346 /nfs/dbraw/zinc/16/33/46/564163346.db2.gz RIIPOWYLHXMJFL-UHFFFAOYSA-N 0 0 348.421 5.057 50 0 EKAARN Cc1cccc(C)c1NC(=O)c1oc2ccccc2c1COC(C)C ZINC000008186612 564034919 /nfs/dbraw/zinc/03/49/19/564034919.db2.gz MUQSCDMJUUBUOB-UHFFFAOYSA-N 0 0 337.419 5.227 50 0 EKAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C1CCCC1 ZINC000008187095 201740813 /nfs/dbraw/zinc/74/08/13/201740813.db2.gz HSOZIVGKKNEPPZ-UHFFFAOYSA-N 0 0 340.810 5.277 50 0 EKAARN C(=C/c1ccccc1)\CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000008187712 201740354 /nfs/dbraw/zinc/74/03/54/201740354.db2.gz GDNSGPTYUHYRJH-RMKNXTFCSA-N 0 0 333.416 5.023 50 0 EKAARN CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000008188010 564163422 /nfs/dbraw/zinc/16/34/22/564163422.db2.gz MBEJTHHCYOQETP-GFCCVEGCSA-N 0 0 342.826 5.523 50 0 EKAARN CCC[C@H](C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000008188013 564163419 /nfs/dbraw/zinc/16/34/19/564163419.db2.gz MBEJTHHCYOQETP-LBPRGKRZSA-N 0 0 342.826 5.523 50 0 EKAARN O=C(CCc1ccccc1)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000008188118 564163448 /nfs/dbraw/zinc/16/34/48/564163448.db2.gz FCSYOUNAMVOVJJ-UHFFFAOYSA-N 0 0 342.398 5.066 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 ZINC000008190808 210909538 /nfs/dbraw/zinc/90/95/38/210909538.db2.gz FHADNZOBYNMPJT-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)cc1 ZINC000008190814 563623161 /nfs/dbraw/zinc/62/31/61/563623161.db2.gz KVGHROPVWLZFAC-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1ccccc1-c1nc2ccc(NC(=O)c3ccccc3F)cc2o1 ZINC000008190848 563623157 /nfs/dbraw/zinc/62/31/57/563623157.db2.gz QJUVEATVWNUPAZ-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN CC(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000008209445 564163546 /nfs/dbraw/zinc/16/35/46/564163546.db2.gz ZLRJQKPNPSODPS-UHFFFAOYSA-N 0 0 334.444 5.095 50 0 EKAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2C(C)C)cc1 ZINC000008210107 564163591 /nfs/dbraw/zinc/16/35/91/564163591.db2.gz PZWJFLBUNRIVSF-UHFFFAOYSA-N 0 0 338.451 5.144 50 0 EKAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000008210154 205845183 /nfs/dbraw/zinc/84/51/83/205845183.db2.gz GISBYHUOVMTYQO-UHFFFAOYSA-N 0 0 338.165 5.439 50 0 EKAARN O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000008225766 210915417 /nfs/dbraw/zinc/91/54/17/210915417.db2.gz PXMZHPQCUDWDKD-NRFANRHFSA-N 0 0 344.389 5.343 50 0 EKAARN O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000008225767 564163637 /nfs/dbraw/zinc/16/36/37/564163637.db2.gz PXMZHPQCUDWDKD-OAQYLSRUSA-N 0 0 344.389 5.343 50 0 EKAARN O=C(CCc1ccco1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000008231010 564163722 /nfs/dbraw/zinc/16/37/22/564163722.db2.gz IMMANOPWBPCFKT-UHFFFAOYSA-N 0 0 348.427 5.128 50 0 EKAARN Cc1cccc2c(C)cc(SCc3nc(-c4ccccc4)no3)nc12 ZINC000008231473 564163734 /nfs/dbraw/zinc/16/37/34/564163734.db2.gz VSZPYLZSLBCKOU-UHFFFAOYSA-N 0 0 347.443 5.194 50 0 EKAARN Cc1nc(S[C@H](C)C(=O)c2ccc(C)cc2)n(C2CCCC2)c1C ZINC000008231612 564163737 /nfs/dbraw/zinc/16/37/37/564163737.db2.gz IQBWSCJJKQWUSD-MRXNPFEDSA-N 0 0 342.508 5.287 50 0 EKAARN Cc1nc(S[C@@H](C)C(=O)c2ccc(C)cc2)n(C2CCCC2)c1C ZINC000008231613 210915824 /nfs/dbraw/zinc/91/58/24/210915824.db2.gz IQBWSCJJKQWUSD-INIZCTEOSA-N 0 0 342.508 5.287 50 0 EKAARN Cc1ccc2c(c1)CCCN2C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000008232853 564163775 /nfs/dbraw/zinc/16/37/75/564163775.db2.gz AFXVSPTYTCHRKA-UHFFFAOYSA-N 0 0 349.424 5.815 50 0 EKAARN CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1 ZINC000008241372 210919301 /nfs/dbraw/zinc/91/93/01/210919301.db2.gz PHGOSHMRMACGBT-HWPZZCPQSA-N 0 0 344.505 5.024 50 0 EKAARN CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc1 ZINC000008241379 564034953 /nfs/dbraw/zinc/03/49/53/564034953.db2.gz PHGOSHMRMACGBT-QLJPJBMISA-N 0 0 344.505 5.024 50 0 EKAARN CCOc1c(Cl)cc(Cl)cc1CNCc1ccccc1Cl ZINC000008253436 563624767 /nfs/dbraw/zinc/62/47/67/563624767.db2.gz GGIPHUQHAYDQKT-UHFFFAOYSA-N 0 0 344.669 5.335 50 0 EKAARN CCOc1ccccc1NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000008263930 210921874 /nfs/dbraw/zinc/92/18/74/210921874.db2.gz OTFSBZREZOEGRK-UHFFFAOYSA-N 0 0 334.419 5.009 50 0 EKAARN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCCCCC1 ZINC000008270426 564163908 /nfs/dbraw/zinc/16/39/08/564163908.db2.gz CRAKZUVWTXYPKT-UHFFFAOYSA-N 0 0 349.430 5.028 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000008270913 564163897 /nfs/dbraw/zinc/16/38/97/564163897.db2.gz LUYONANNRPCSAV-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000008275285 564163945 /nfs/dbraw/zinc/16/39/45/564163945.db2.gz CJTYKQNNOUVGBK-UHFFFAOYSA-N 0 0 341.794 5.073 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000008278998 210925313 /nfs/dbraw/zinc/92/53/13/210925313.db2.gz JYZOFNJSXZKYEY-UHFFFAOYSA-N 0 0 341.794 5.073 50 0 EKAARN CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000008279200 564163994 /nfs/dbraw/zinc/16/39/94/564163994.db2.gz OGZGCJZIKIHRJC-AWEZNQCLSA-N 0 0 338.476 5.253 50 0 EKAARN CC(C)c1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000008279202 564164015 /nfs/dbraw/zinc/16/40/15/564164015.db2.gz OGZGCJZIKIHRJC-CQSZACIVSA-N 0 0 338.476 5.253 50 0 EKAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1Cl ZINC000008286631 564035054 /nfs/dbraw/zinc/03/50/54/564035054.db2.gz UFMWXTAEGOZUEJ-UHFFFAOYSA-N 0 0 325.795 5.171 50 0 EKAARN CCc1cccc2c(-c3csc(Cc4nc(C)cs4)n3)c[nH]c21 ZINC000008298419 564164086 /nfs/dbraw/zinc/16/40/86/564164086.db2.gz KHZQRDRFLNVLHN-UHFFFAOYSA-N 0 0 339.489 5.210 50 0 EKAARN CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1 ZINC000008298541 201743042 /nfs/dbraw/zinc/74/30/42/201743042.db2.gz PHGOSHMRMACGBT-QFYYESIMSA-N 0 0 344.505 5.024 50 0 EKAARN 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DVIVTRWWEMTRIM-QRWLVFNGSA-N 0 0 336.435 5.190 50 0 EKAARN CC(C)[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000010494448 564176146 /nfs/dbraw/zinc/17/61/46/564176146.db2.gz DVIVTRWWEMTRIM-FOIQADDNSA-N 0 0 336.435 5.190 50 0 EKAARN Cc1c(C(=O)Nc2ccccc2C(C)C)sc2nc(C)cc(C)c12 ZINC000010510677 211178032 /nfs/dbraw/zinc/17/80/32/211178032.db2.gz BRRZMONQXYYODY-UHFFFAOYSA-N 0 0 338.476 5.597 50 0 EKAARN CSc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000010510813 211177087 /nfs/dbraw/zinc/17/70/87/211177087.db2.gz NJFBZTDRXUIDGQ-UHFFFAOYSA-N 0 0 333.865 5.529 50 0 EKAARN Cc1csc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC000010554616 211181277 /nfs/dbraw/zinc/18/12/77/211181277.db2.gz LDYJYXUKPSWBIC-UHFFFAOYSA-N 0 0 343.260 5.225 50 0 EKAARN Cc1csc(NC(=O)c2cc3sc4ccccc4c3s2)n1 ZINC000010555335 211181258 /nfs/dbraw/zinc/18/12/58/211181258.db2.gz KERONVMXOBWGIO-UHFFFAOYSA-N 0 0 330.459 5.133 50 0 EKAARN Cc1cnc(NC(=O)c2cc3sc4ccccc4c3s2)s1 ZINC000010626204 211183214 /nfs/dbraw/zinc/18/32/14/211183214.db2.gz ADOHZSOTJOIFNQ-UHFFFAOYSA-N 0 0 330.459 5.133 50 0 EKAARN CC(C)c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000010637534 211182360 /nfs/dbraw/zinc/18/23/60/211182360.db2.gz CLTKWYZAXFIRKH-UHFFFAOYSA-N 0 0 336.460 5.037 50 0 EKAARN O=C(CSc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000010646800 211184479 /nfs/dbraw/zinc/18/44/79/211184479.db2.gz XHRODEPQJLWXSW-UHFFFAOYSA-N 0 0 345.773 5.090 50 0 EKAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1Cl ZINC000010652691 211184125 /nfs/dbraw/zinc/18/41/25/211184125.db2.gz SVWUDNBCBBPJKE-UHFFFAOYSA-N 0 0 348.233 5.005 50 0 EKAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1 ZINC000010715419 211187281 /nfs/dbraw/zinc/18/72/81/211187281.db2.gz PAVPWZRFJLNEFM-MRXNPFEDSA-N 0 0 341.451 5.005 50 0 EKAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(OC(C)C)c1 ZINC000010715420 211187378 /nfs/dbraw/zinc/18/73/78/211187378.db2.gz PAVPWZRFJLNEFM-INIZCTEOSA-N 0 0 341.451 5.005 50 0 EKAARN COc1ccc(Nc2nnc(S[C@@H](C)c3ccccc3)s2)cc1 ZINC000010786365 201803432 /nfs/dbraw/zinc/80/34/32/201803432.db2.gz ZTBJECWAQMPEIO-LBPRGKRZSA-N 0 0 343.477 5.144 50 0 EKAARN COc1ccc(Nc2nnc(S[C@H](C)c3ccccc3)s2)cc1 ZINC000010786366 211189579 /nfs/dbraw/zinc/18/95/79/211189579.db2.gz ZTBJECWAQMPEIO-GFCCVEGCSA-N 0 0 343.477 5.144 50 0 EKAARN O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc21 ZINC000011004523 211199730 /nfs/dbraw/zinc/19/97/30/211199730.db2.gz FTJFDKLKQFANCA-UHFFFAOYSA-N 0 0 344.336 5.180 50 0 EKAARN CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc2ccccc21 ZINC000011005239 211198611 /nfs/dbraw/zinc/19/86/11/211198611.db2.gz ORJUIBBXPFXBPJ-UHFFFAOYSA-N 0 0 347.443 5.113 50 0 EKAARN CN(C(=O)Nc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011009224 211200690 /nfs/dbraw/zinc/20/06/90/211200690.db2.gz MSUKRDIEEVCLLE-FQEVSTJZSA-N 0 0 334.394 5.079 50 0 EKAARN CN(C(=O)Nc1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011009226 211201330 /nfs/dbraw/zinc/20/13/30/211201330.db2.gz MSUKRDIEEVCLLE-HXUWFJFHSA-N 0 0 334.394 5.079 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 ZINC000011038710 563904327 /nfs/dbraw/zinc/90/43/27/563904327.db2.gz YVBIJTVCPOFLKM-CQSZACIVSA-N 0 0 338.838 5.241 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 ZINC000011038715 211202176 /nfs/dbraw/zinc/20/21/76/211202176.db2.gz YVBIJTVCPOFLKM-AWEZNQCLSA-N 0 0 338.838 5.241 50 0 EKAARN Cc1cccc(-c2nnc([C@@H](C)Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000011039651 211202107 /nfs/dbraw/zinc/20/21/07/211202107.db2.gz UOVYUCVQNNLSRY-GFCCVEGCSA-N 0 0 347.340 5.237 50 0 EKAARN Cc1cccc(-c2nnc([C@H](C)Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000011039654 211202537 /nfs/dbraw/zinc/20/25/37/211202537.db2.gz UOVYUCVQNNLSRY-LBPRGKRZSA-N 0 0 347.340 5.237 50 0 EKAARN CC(C)Oc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000011055877 211201660 /nfs/dbraw/zinc/20/16/60/211201660.db2.gz XNKDPQODDUPWBV-OAHLLOKOSA-N 0 0 341.476 5.005 50 0 EKAARN CC(C)Oc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000011055881 211201789 /nfs/dbraw/zinc/20/17/89/211201789.db2.gz XNKDPQODDUPWBV-HNNXBMFYSA-N 0 0 341.476 5.005 50 0 EKAARN Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccccc1 ZINC000011180381 211206635 /nfs/dbraw/zinc/20/66/35/211206635.db2.gz IYQRARQQJOBSJW-UHFFFAOYSA-N 0 0 334.444 5.134 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(SC(F)F)cc2)c(Cl)c1 ZINC000011202456 211206480 /nfs/dbraw/zinc/20/64/80/211206480.db2.gz NCAROQXFQJSILY-UHFFFAOYSA-N 0 0 341.810 5.524 50 0 EKAARN O=C(N[C@@H](c1ccccc1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000011204074 211207022 /nfs/dbraw/zinc/20/70/22/211207022.db2.gz RSZJSOYSLSPWRK-QHCPKHFHSA-N 0 0 341.454 5.086 50 0 EKAARN O=C(N[C@H](c1ccccc1)C1CC1)C(c1ccccc1)c1ccccc1 ZINC000011204094 211206892 /nfs/dbraw/zinc/20/68/92/211206892.db2.gz RSZJSOYSLSPWRK-HSZRJFAPSA-N 0 0 341.454 5.086 50 0 EKAARN Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl ZINC000011326467 211211311 /nfs/dbraw/zinc/21/13/11/211211311.db2.gz RTGVOVMZVGQMBM-UHFFFAOYSA-N 0 0 341.794 5.073 50 0 EKAARN CC(C)(C)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000011327450 211211657 /nfs/dbraw/zinc/21/16/57/211211657.db2.gz JYAIBCGYBFKSLR-UHFFFAOYSA-N 0 0 348.446 5.210 50 0 EKAARN Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1-n1cccc1 ZINC000011329758 211212335 /nfs/dbraw/zinc/21/23/35/211212335.db2.gz OFAGGMCKAVHWSV-UHFFFAOYSA-N 0 0 332.447 5.470 50 0 EKAARN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000011329955 563973471 /nfs/dbraw/zinc/97/34/71/563973471.db2.gz BAFWRWWRNZWOOD-UHFFFAOYSA-N 0 0 332.447 5.163 50 0 EKAARN COc1ccc(/C=C(\Cl)c2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000011334411 211211735 /nfs/dbraw/zinc/21/17/35/211211735.db2.gz VESNTNNFCUSAND-YBEGLDIGSA-N 0 0 329.758 5.226 50 0 EKAARN CC(C)c1ccccc1NC(=O)c1occc1COc1ccccc1 ZINC000011368412 211213824 /nfs/dbraw/zinc/21/38/24/211213824.db2.gz MLMSKIXDUDTFAI-UHFFFAOYSA-N 0 0 335.403 5.234 50 0 EKAARN CC(C)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000011368493 563974366 /nfs/dbraw/zinc/97/43/66/563974366.db2.gz HSMAEPBNJUMQCI-UHFFFAOYSA-N 0 0 334.419 5.036 50 0 EKAARN CC(C)c1ccccc1NC(=O)/C=C/c1ccccc1OC(F)F ZINC000011368688 211213776 /nfs/dbraw/zinc/21/37/76/211213776.db2.gz JDXZDESRYOLWCZ-VAWYXSNFSA-N 0 0 331.362 5.063 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000011429120 211216365 /nfs/dbraw/zinc/21/63/65/211216365.db2.gz LLUXXHYGMHOHHC-UHFFFAOYSA-N 0 0 337.423 5.030 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1occc1COc1ccccc1 ZINC000011429143 563976102 /nfs/dbraw/zinc/97/61/02/563976102.db2.gz GJSYNOUVBDYMCI-UHFFFAOYSA-N 0 0 349.430 5.543 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000011429172 211217301 /nfs/dbraw/zinc/21/73/01/211217301.db2.gz ARCZASCXUAMZKL-UHFFFAOYSA-N 0 0 348.446 5.345 50 0 EKAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000011429253 211217211 /nfs/dbraw/zinc/21/72/11/211217211.db2.gz KQLCUBJHSLRYIX-SFHVURJKSA-N 0 0 325.477 5.082 50 0 EKAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1c(C)cccc1C(C)C)C2 ZINC000011429255 211216456 /nfs/dbraw/zinc/21/64/56/211216456.db2.gz KQLCUBJHSLRYIX-GOSISDBHSA-N 0 0 325.477 5.082 50 0 EKAARN CC(C)(C)c1ccccc1NC(=O)c1occc1COc1ccccc1 ZINC000011429743 211216718 /nfs/dbraw/zinc/21/67/18/211216718.db2.gz 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/nfs/dbraw/zinc/97/63/63/563976363.db2.gz ZXWVNRDUUMIRNM-UHFFFAOYSA-N 0 0 341.794 5.073 50 0 EKAARN COc1ccc(-c2csc(Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000011566324 211223775 /nfs/dbraw/zinc/22/37/75/211223775.db2.gz MNUSBRSDBOQYLO-UHFFFAOYSA-N 0 0 330.840 5.524 50 0 EKAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000011594920 563981185 /nfs/dbraw/zinc/98/11/85/563981185.db2.gz RYRHPASYPIVXAL-UHFFFAOYSA-N 0 0 346.814 5.163 50 0 EKAARN C[C@@H]1CCCCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000011612383 563981217 /nfs/dbraw/zinc/98/12/17/563981217.db2.gz GYRZBCOYENNPNE-CQSZACIVSA-N 0 0 337.854 5.329 50 0 EKAARN C[C@H]1CCCCN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000011612384 563981218 /nfs/dbraw/zinc/98/12/18/563981218.db2.gz GYRZBCOYENNPNE-AWEZNQCLSA-N 0 0 337.854 5.329 50 0 EKAARN Cc1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1C ZINC000011618619 211226110 /nfs/dbraw/zinc/22/61/10/211226110.db2.gz SMPOYRIDDAGJPD-UHFFFAOYSA-N 0 0 330.431 5.021 50 0 EKAARN Cc1cccc(C)c1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618626 211226147 /nfs/dbraw/zinc/22/61/47/211226147.db2.gz ATXLQHUWLKUGTA-UHFFFAOYSA-N 0 0 330.431 5.021 50 0 EKAARN O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1Cl ZINC000011618637 211226745 /nfs/dbraw/zinc/22/67/45/211226745.db2.gz KKOACHYWRLMQOA-UHFFFAOYSA-N 0 0 336.822 5.058 50 0 EKAARN Cc1ccc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c1 ZINC000011618702 563981281 /nfs/dbraw/zinc/98/12/81/563981281.db2.gz GBGBXBJCRLZFCF-UHFFFAOYSA-N 0 0 330.431 5.021 50 0 EKAARN Cc1cc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c(C)c1 ZINC000011618710 211226416 /nfs/dbraw/zinc/22/64/16/211226416.db2.gz QLJBIENOYHXTJR-UHFFFAOYSA-N 0 0 344.458 5.329 50 0 EKAARN CC(C)c1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011619060 211226092 /nfs/dbraw/zinc/22/60/92/211226092.db2.gz MDQOSVISZXVFNR-UHFFFAOYSA-N 0 0 344.458 5.528 50 0 EKAARN CCc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000011666856 211231679 /nfs/dbraw/zinc/23/16/79/211231679.db2.gz DDZHPRWCPMJUNS-UHFFFAOYSA-N 0 0 337.394 5.219 50 0 EKAARN Cc1cc(C)cc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1 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CC(C)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000011689915 211232982 /nfs/dbraw/zinc/23/29/82/211232982.db2.gz JKCUGPBXFFGQBH-UHFFFAOYSA-N 0 0 333.431 5.641 50 0 EKAARN Cc1ccc(C)c(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000011689986 211233280 /nfs/dbraw/zinc/23/32/80/211233280.db2.gz XSISKCDNLDQOJJ-UHFFFAOYSA-N 0 0 337.394 5.274 50 0 EKAARN O=C(CCC1CCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000011690094 211234093 /nfs/dbraw/zinc/23/40/93/211234093.db2.gz WEUXWEYNMJVOIQ-UHFFFAOYSA-N 0 0 348.899 5.296 50 0 EKAARN CCc1ccc(Cc2cnc(NC(=O)CCC3CCCC3)s2)cc1 ZINC000011690097 211234336 /nfs/dbraw/zinc/23/43/36/211234336.db2.gz IFEWQNYYFUVYMI-UHFFFAOYSA-N 0 0 342.508 5.205 50 0 EKAARN FC(F)(F)c1ccccc1-c1ccc(-c2nc3ccccc3s2)o1 ZINC000011690101 211234311 /nfs/dbraw/zinc/23/43/11/211234311.db2.gz QVSLHVUNFLLYBJ-UHFFFAOYSA-N 0 0 345.345 6.242 50 0 EKAARN Clc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 ZINC000011690102 211234024 /nfs/dbraw/zinc/23/40/24/211234024.db2.gz SNTJQBLACVRTHF-UHFFFAOYSA-N 0 0 346.238 6.530 50 0 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Clc1ccc2c(c1)nc1c(c2-c2ccccc2)-c2ccccc2C1 ZINC000012139521 211303105 /nfs/dbraw/zinc/30/31/05/211303105.db2.gz UFXBEGZJWGFCLN-UHFFFAOYSA-N 0 0 327.814 6.126 50 0 EKAARN COc1cccc(-c2nnc(SCc3cccc4ccccc43)o2)c1 ZINC000012179009 211311312 /nfs/dbraw/zinc/31/13/12/211311312.db2.gz LKKWOJMIZDRTSF-UHFFFAOYSA-N 0 0 348.427 5.191 50 0 EKAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012195017 211317000 /nfs/dbraw/zinc/31/70/00/211317000.db2.gz FAPJNWPAOVBJEE-WIYYLYMNSA-N 0 0 346.455 5.299 50 0 EKAARN COc1ccc(-c2c/c(=N\c3cccc(O)c3)c3ccccc3o2)cc1 ZINC000012201446 211318554 /nfs/dbraw/zinc/31/85/54/211318554.db2.gz CGUMFYMAANFUSO-BSYVCWPDSA-N 0 0 343.382 5.046 50 0 EKAARN COc1ccc(-c2c/c(=N\c3ccc(O)cc3)c3ccccc3o2)cc1 ZINC000012201451 211319504 /nfs/dbraw/zinc/31/95/04/211319504.db2.gz NZWORHLJIFTDKT-BSYVCWPDSA-N 0 0 343.382 5.046 50 0 EKAARN Cc1nc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000012230024 211324754 /nfs/dbraw/zinc/32/47/54/211324754.db2.gz TVKWYEWMBOZPKD-RDRICISKSA-N 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/nfs/dbraw/zinc/33/11/48/211331148.db2.gz UUEIICNBFVRGHQ-UHFFFAOYSA-N 0 0 329.758 5.300 50 0 EKAARN Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000012276099 563657322 /nfs/dbraw/zinc/65/73/22/563657322.db2.gz ZHFHCBMXBKQWTN-IFMALSPDSA-N 0 0 344.389 5.068 50 0 EKAARN Cc1ccc(S(=O)(=O)Oc2cccc3ccccc32)c2ccccc12 ZINC000012291306 211333201 /nfs/dbraw/zinc/33/32/01/211333201.db2.gz UUUDQCGIAMDELD-UHFFFAOYSA-N 0 0 348.423 5.069 50 0 EKAARN Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@H](C)c1cccs1 ZINC000012299042 211336528 /nfs/dbraw/zinc/33/65/28/211336528.db2.gz FCKJXFCWVPNXDS-GFCCVEGCSA-N 0 0 330.428 5.044 50 0 EKAARN Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1cccs1 ZINC000012299043 563657293 /nfs/dbraw/zinc/65/72/93/563657293.db2.gz FCKJXFCWVPNXDS-LBPRGKRZSA-N 0 0 330.428 5.044 50 0 EKAARN Cc1oc(-c2ccoc2)nc1CN(C)Cc1cc2ccccc2s1 ZINC000012301338 211336625 /nfs/dbraw/zinc/33/66/25/211336625.db2.gz QKYKMFAVQOBMOV-UHFFFAOYSA-N 0 0 338.432 5.090 50 0 EKAARN CSc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 ZINC000012311407 211342412 /nfs/dbraw/zinc/34/24/12/211342412.db2.gz CRGKVDGJASZMOX-HXUWFJFHSA-N 0 0 343.455 5.398 50 0 EKAARN O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C1CCCCC1 ZINC000012341092 211352575 /nfs/dbraw/zinc/35/25/75/211352575.db2.gz RLVIYYRLWTWDAZ-UHFFFAOYSA-N 0 0 325.456 5.129 50 0 EKAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000012346191 211354223 /nfs/dbraw/zinc/35/42/23/211354223.db2.gz ZVDKASMWQLHQKL-UHFFFAOYSA-N 0 0 347.245 5.436 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2ncccc21 ZINC000012346731 211354478 /nfs/dbraw/zinc/35/44/78/211354478.db2.gz QEXUGTZUYLCIIA-UHFFFAOYSA-N 0 0 332.190 5.186 50 0 EKAARN Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3)c2Br)cc1 ZINC000012357684 211355899 /nfs/dbraw/zinc/35/58/99/211355899.db2.gz RUCKQMMHCIOMNR-UHFFFAOYSA-N 0 0 327.225 5.123 50 0 EKAARN O=c1cc(COc2ccc3oc4ccccc4c3c2)c2ccccc2[nH]1 ZINC000012360169 563658511 /nfs/dbraw/zinc/65/85/11/563658511.db2.gz VBUDBRGIXOIRGI-UHFFFAOYSA-N 0 0 341.366 5.007 50 0 EKAARN c1ccc2c(c1)oc1ccc(OCc3ccc4nsnc4c3)cc12 ZINC000012360278 563658517 /nfs/dbraw/zinc/65/85/17/563658517.db2.gz YBCJGZDMVFADMC-UHFFFAOYSA-N 0 0 332.384 5.170 50 0 EKAARN O=c1sc2c(s1)S[C@H]1CCCCCCCCCC[C@H]1S2 ZINC000012363306 211355579 /nfs/dbraw/zinc/35/55/79/211355579.db2.gz KTNLYTIAKNOAJY-TXEJJXNPSA-N 0 0 346.608 6.019 50 0 EKAARN CCCCCc1nn2cc(-c3ccc(CCCCC)cc3)nc2s1 ZINC000012363958 201840845 /nfs/dbraw/zinc/84/08/45/201840845.db2.gz OYDHYGJNEXYUFG-UHFFFAOYSA-N 0 0 341.524 5.923 50 0 EKAARN CC(=O)CCc1oc2ccc(Br)cc2c1-c1ccccc1 ZINC000012364098 211355641 /nfs/dbraw/zinc/35/56/41/211355641.db2.gz PZTFAKWBIHHXII-UHFFFAOYSA-N 0 0 343.220 5.384 50 0 EKAARN CC(C)(C)Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000012364974 211357247 /nfs/dbraw/zinc/35/72/47/211357247.db2.gz GIFGGDCCYMJQQX-UHFFFAOYSA-N 0 0 342.870 5.357 50 0 EKAARN Cc1c2ccccc2sc1CC(=O)Nc1ccccc1C(F)(F)F ZINC000012367506 211356550 /nfs/dbraw/zinc/35/65/50/211356550.db2.gz FXDRXHZTQRLLNW-UHFFFAOYSA-N 0 0 349.377 5.410 50 0 EKAARN Cc1nc2ccccc2nc1COc1ccc2oc3ccccc3c2c1 ZINC000012372678 211358289 /nfs/dbraw/zinc/35/82/89/211358289.db2.gz FNNOQGRBGRKCFP-UHFFFAOYSA-N 0 0 340.382 5.417 50 0 EKAARN Cc1ccc(-c2nc(CN(C)Cc3sccc3C)c(C)o2)s1 ZINC000012373208 211358839 /nfs/dbraw/zinc/35/88/39/211358839.db2.gz FODJBCGNMFTOPH-UHFFFAOYSA-N 0 0 332.494 5.022 50 0 EKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\C3CCCCC3)c2c1 ZINC000012374215 211358969 /nfs/dbraw/zinc/35/89/69/211358969.db2.gz HFBLZKBONVGEMB-FCDQGJHFSA-N 0 0 337.850 5.987 50 0 EKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccccc3)c2c1 ZINC000012374225 564037098 /nfs/dbraw/zinc/03/70/98/564037098.db2.gz PVZYZNITBCQKJQ-FCDQGJHFSA-N 0 0 331.802 5.986 50 0 EKAARN Fc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000012374227 211358208 /nfs/dbraw/zinc/35/82/08/211358208.db2.gz CJEFBPQDQZZEJI-LYBHJNIJSA-N 0 0 349.792 6.125 50 0 EKAARN Clc1ccc2oc(-c3ccccc3)c/c(=N\c3nccs3)c2c1 ZINC000012374232 211358626 /nfs/dbraw/zinc/35/86/26/211358626.db2.gz LZHAASWQLSQANP-RCCKNPSSSA-N 0 0 338.819 5.442 50 0 EKAARN Oc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(F)cc3)c2c1 ZINC000012374238 207126555 /nfs/dbraw/zinc/12/65/55/207126555.db2.gz SGSXKARQEBCMDK-FCDQGJHFSA-N 0 0 331.346 5.177 50 0 EKAARN c1cc(C23CC4CC(CC(C4)C2)C3)oc1C12CC3CC(CC(C3)C1)C2 ZINC000012374937 541303869 /nfs/dbraw/zinc/30/38/69/541303869.db2.gz JTWOCFNMWGEIPW-UHFFFAOYSA-N 0 0 336.519 6.215 50 0 EKAARN O=C1C[C@H](c2cccs2)Cc2nc(-c3ccc(Cl)cc3)ccc21 ZINC000012374976 211358781 /nfs/dbraw/zinc/35/87/81/211358781.db2.gz HZUZPFPTGIDOLF-CYBMUJFWSA-N 0 0 339.847 5.376 50 0 EKAARN O=C1C[C@@H](c2cccs2)Cc2nc(-c3ccc(Cl)cc3)ccc21 ZINC000012374977 211359082 /nfs/dbraw/zinc/35/90/82/211359082.db2.gz HZUZPFPTGIDOLF-ZDUSSCGKSA-N 0 0 339.847 5.376 50 0 EKAARN Brc1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000012375826 211360408 /nfs/dbraw/zinc/36/04/08/211360408.db2.gz WSEYNFJNIBSAIT-UHFFFAOYSA-N 0 0 331.238 5.316 50 0 EKAARN c1csc(-c2nc3ccccc3n2CCCOc2ccccc2)c1 ZINC000012376782 211359834 /nfs/dbraw/zinc/35/98/34/211359834.db2.gz OUGGGNFBIPZKCF-UHFFFAOYSA-N 0 0 334.444 5.234 50 0 EKAARN c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)no1 ZINC000012376910 563659135 /nfs/dbraw/zinc/65/91/35/563659135.db2.gz YODMXJMCONPQMH-UHFFFAOYSA-N 0 0 333.416 5.024 50 0 EKAARN Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000012376974 563659128 /nfs/dbraw/zinc/65/91/28/563659128.db2.gz SHPKCCVIJLYQFA-UHFFFAOYSA-N 0 0 329.321 5.747 50 0 EKAARN c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000012377005 211360001 /nfs/dbraw/zinc/36/00/01/211360001.db2.gz HAFRCFZWBMTRDZ-DQRAZIAOSA-N 0 0 328.440 5.438 50 0 EKAARN CC(C)(C)c1cc(NC(=O)c2sc3ccccc3c2Cl)no1 ZINC000012381602 211361878 /nfs/dbraw/zinc/36/18/78/211361878.db2.gz OZHCDQZAKYVPGR-UHFFFAOYSA-N 0 0 334.828 5.093 50 0 EKAARN CC(C)c1ccccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000012383091 211363496 /nfs/dbraw/zinc/36/34/96/211363496.db2.gz QQGPEHLYISZDLO-UHFFFAOYSA-N 0 0 336.460 5.089 50 0 EKAARN Cc1ccccc1-c1n[nH]c(-c2ccccc2C)c1Br ZINC000012396868 211368040 /nfs/dbraw/zinc/36/80/40/211368040.db2.gz JAFHMKVFLZKUGH-UHFFFAOYSA-N 0 0 327.225 5.123 50 0 EKAARN CC(C)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000012401760 563660005 /nfs/dbraw/zinc/66/00/05/563660005.db2.gz OXBFWTBGBWKCEU-UHFFFAOYSA-N 0 0 342.870 5.672 50 0 EKAARN CC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000012401761 211369188 /nfs/dbraw/zinc/36/91/88/211369188.db2.gz GXZDAOCTWWFICQ-UHFFFAOYSA-N 0 0 328.843 5.282 50 0 EKAARN C[C@@H]1CCC[C@]2(C1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000012403954 211369526 /nfs/dbraw/zinc/36/95/26/211369526.db2.gz NTDBRNJTVVMTAD-BSLALVQMSA-N 0 0 332.447 5.137 50 0 EKAARN CCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012406107 211370904 /nfs/dbraw/zinc/37/09/04/211370904.db2.gz HFMQDFRNYPISEE-UHFFFAOYSA-N 0 0 347.414 5.520 50 0 EKAARN CCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000012410995 563660486 /nfs/dbraw/zinc/66/04/86/563660486.db2.gz IWPPXFPVHUECIL-UHFFFAOYSA-N 0 0 333.262 5.734 50 0 EKAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2ccccc2s1 ZINC000012414080 211373702 /nfs/dbraw/zinc/37/37/02/211373702.db2.gz JACNWQFKSFWRAX-UHFFFAOYSA-N 0 0 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ZINC000012927894 207265994 /nfs/dbraw/zinc/26/59/94/207265994.db2.gz ZXWDICOWWRAKNT-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 EKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)CCC2 ZINC000012930808 564078783 /nfs/dbraw/zinc/07/87/83/564078783.db2.gz RRLBEFISMWMMQM-UHFFFAOYSA-N 0 0 327.855 5.206 50 0 EKAARN O=C(c1ccc(-c2ccccc2F)o1)N1CC=C(c2ccccc2)CC1 ZINC000012932807 564078934 /nfs/dbraw/zinc/07/89/34/564078934.db2.gz KXBZQFLAGADEGP-UHFFFAOYSA-N 0 0 347.389 5.015 50 0 EKAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)cc1Cl ZINC000012934313 564079163 /nfs/dbraw/zinc/07/91/63/564079163.db2.gz QJDNDXCHPFHQEP-UHFFFAOYSA-N 0 0 340.785 5.102 50 0 EKAARN Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1 ZINC000012934383 563677738 /nfs/dbraw/zinc/67/77/38/563677738.db2.gz AIDFUQZHEASRRD-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN O=C(Nc1nccs1)c1ccc(-c2cccc3ccccc32)s1 ZINC000012934451 564079150 /nfs/dbraw/zinc/07/91/50/564079150.db2.gz JHZZUKGVSKTVJQ-UHFFFAOYSA-N 0 0 336.441 5.277 50 0 EKAARN CCOCc1c2ccccc2oc1C(=O)Nc1cccc2c1CCCC2 ZINC000012934624 564079108 /nfs/dbraw/zinc/07/91/08/564079108.db2.gz XAIJAZWPVCELAT-UHFFFAOYSA-N 0 0 349.430 5.100 50 0 EKAARN Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)c(Cl)c1 ZINC000012935906 564079257 /nfs/dbraw/zinc/07/92/57/564079257.db2.gz HXCFKSNUAAAUON-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1cccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)n1 ZINC000012935949 563677876 /nfs/dbraw/zinc/67/78/76/563677876.db2.gz LAIPAUMWKBSLII-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1ccnc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c1 ZINC000012937056 563677809 /nfs/dbraw/zinc/67/78/09/563677809.db2.gz BWDXMSBNMRLUJW-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2ccccc2c1 ZINC000012937625 201876074 /nfs/dbraw/zinc/87/60/74/201876074.db2.gz UFEJFZCLPGKFRO-UHFFFAOYSA-N 0 0 342.398 5.066 50 0 EKAARN O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)C1CC1 ZINC000012940798 564079587 /nfs/dbraw/zinc/07/95/87/564079587.db2.gz BCBVNSOZEAWQKL-UHFFFAOYSA-N 0 0 341.454 5.087 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000012944197 201878019 /nfs/dbraw/zinc/87/80/19/201878019.db2.gz MBQRYNILIVCZMV-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000012944747 211490731 /nfs/dbraw/zinc/49/07/31/211490731.db2.gz IYZVRHLKHMPTRE-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN Cc1ccccc1[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 ZINC000012945719 564079714 /nfs/dbraw/zinc/07/97/14/564079714.db2.gz TVNFCTRSADKHKJ-SFHVURJKSA-N 0 0 347.443 5.255 50 0 EKAARN Cc1ccccc1[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1ccccc1 ZINC000012945724 564079705 /nfs/dbraw/zinc/07/97/05/564079705.db2.gz TVNFCTRSADKHKJ-GOSISDBHSA-N 0 0 347.443 5.255 50 0 EKAARN Cc1ccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 ZINC000012954230 564135724 /nfs/dbraw/zinc/13/57/24/564135724.db2.gz GOYSMGSBVGBIAH-JEDBISTDSA-N 0 0 334.912 5.391 50 0 EKAARN Cc1ccc(CO[C@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 ZINC000012954234 563678573 /nfs/dbraw/zinc/67/85/73/563678573.db2.gz GOYSMGSBVGBIAH-KLIQENQMSA-N 0 0 334.912 5.391 50 0 EKAARN Cc1ccc(CO[C@@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 ZINC000012954239 563678527 /nfs/dbraw/zinc/67/85/27/563678527.db2.gz GOYSMGSBVGBIAH-UTRMSSBJSA-N 0 0 334.912 5.391 50 0 EKAARN Cc1ccc(CO[C@H]2C[C@@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]32)c(C)c1 ZINC000012954241 563678559 /nfs/dbraw/zinc/67/85/59/563678559.db2.gz GOYSMGSBVGBIAH-DQEVTTJGSA-N 0 0 334.912 5.391 50 0 EKAARN CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1Br ZINC000012957275 563678577 /nfs/dbraw/zinc/67/85/77/563678577.db2.gz SHUUMGHTDLOJAU-UHFFFAOYSA-N 0 0 349.268 5.691 50 0 EKAARN O=C(/C=C\c1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 ZINC000012961363 564135739 /nfs/dbraw/zinc/13/57/39/564135739.db2.gz DEHOTINIUUDXJB-HJWRWDBZSA-N 0 0 342.225 5.799 50 0 EKAARN O=C(CCNc1ccc(Cl)c(F)c1)c1ccc2ccccc2c1 ZINC000012961452 564135740 /nfs/dbraw/zinc/13/57/40/564135740.db2.gz NZAJTOXUKKOVFQ-UHFFFAOYSA-N 0 0 327.786 5.317 50 0 EKAARN O=C(CCNc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000012961455 563678944 /nfs/dbraw/zinc/67/89/44/563678944.db2.gz 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/nfs/dbraw/zinc/67/90/03/563679003.db2.gz YHTDCACDHPVNEY-CQSZACIVSA-N 0 0 333.500 6.200 50 0 EKAARN Cc1ccc(-c2c3c4c(sc3nc3c2CCC[C@@H]3C)CCC4)cc1 ZINC000012970710 563678948 /nfs/dbraw/zinc/67/89/48/563678948.db2.gz YHTDCACDHPVNEY-AWEZNQCLSA-N 0 0 333.500 6.200 50 0 EKAARN c1ccc(-c2c3c4c(sc3nc3c2CCCCCC3)CCCC4)cc1 ZINC000012970745 563678940 /nfs/dbraw/zinc/67/89/40/563678940.db2.gz ACZIBVKNTCDCIX-UHFFFAOYSA-N 0 0 347.527 6.501 50 0 EKAARN C[C@@H]1CCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 ZINC000012970757 563678982 /nfs/dbraw/zinc/67/89/82/563678982.db2.gz UYDFGJNHENCDKO-CQSZACIVSA-N 0 0 333.500 6.282 50 0 EKAARN C[C@H]1CCCc2c1nc1sc3c(c1c2-c1ccccc1)CCCC3 ZINC000012970759 563678885 /nfs/dbraw/zinc/67/88/85/563678885.db2.gz UYDFGJNHENCDKO-AWEZNQCLSA-N 0 0 333.500 6.282 50 0 EKAARN Clc1ccc2nc3c(c(-c4ccccc4)c2c1)COc1ccccc1-3 ZINC000012970796 563678921 /nfs/dbraw/zinc/67/89/21/563678921.db2.gz FOPIBASIMRLVAA-UHFFFAOYSA-N 0 0 343.813 6.115 50 0 EKAARN Clc1cccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)c1 ZINC000012971039 207267504 /nfs/dbraw/zinc/26/75/04/207267504.db2.gz IXKOPXXVBSDIHE-UHFFFAOYSA-N 0 0 343.817 6.032 50 0 EKAARN Clc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 ZINC000012971041 563678954 /nfs/dbraw/zinc/67/89/54/563678954.db2.gz JIKSJQZKGGZWOA-UHFFFAOYSA-N 0 0 343.817 6.032 50 0 EKAARN COc1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 ZINC000012971042 207266509 /nfs/dbraw/zinc/26/65/09/207266509.db2.gz RNMULFKCEYBHDV-UHFFFAOYSA-N 0 0 339.398 5.387 50 0 EKAARN CCc1sc(C(=O)Nc2cccc(C3SCCS3)c2)cc1C ZINC000012971484 563679022 /nfs/dbraw/zinc/67/90/22/563679022.db2.gz HOYZDZFNJMYAKO-UHFFFAOYSA-N 0 0 349.546 5.350 50 0 EKAARN C[C@H](c1ccc(F)cc1)N(C)Cc1cc2ccccc2nc1Cl ZINC000012971892 563679179 /nfs/dbraw/zinc/67/91/79/563679179.db2.gz OIIKGQUOJWSHBB-CYBMUJFWSA-N 0 0 328.818 5.220 50 0 EKAARN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc2ccccc2nc1Cl ZINC000012971894 563679250 /nfs/dbraw/zinc/67/92/50/563679250.db2.gz OIIKGQUOJWSHBB-ZDUSSCGKSA-N 0 0 328.818 5.220 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012972172 563679220 /nfs/dbraw/zinc/67/92/20/563679220.db2.gz NWSGAQKROZGUDD-UHFFFAOYSA-N 0 0 344.458 5.741 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012973470 563679809 /nfs/dbraw/zinc/67/98/09/563679809.db2.gz NZHXNOCYHWVSMX-UHFFFAOYSA-N 0 0 336.822 5.271 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1csc(-c2cccs2)n1 ZINC000012974782 201878863 /nfs/dbraw/zinc/87/88/63/201878863.db2.gz FKVLTNLSIYQJFY-UHFFFAOYSA-N 0 0 342.489 5.556 50 0 EKAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(Cl)c1C ZINC000012975014 211496285 /nfs/dbraw/zinc/49/62/85/211496285.db2.gz RZZQBFMZYJQDQM-UHFFFAOYSA-N 0 0 336.822 5.271 50 0 EKAARN O=C(Nc1cc(F)ccc1F)c1ccc(Oc2ccccc2)cc1 ZINC000012975078 563680270 /nfs/dbraw/zinc/68/02/70/563680270.db2.gz PVJCJSRQDRHBGA-UHFFFAOYSA-N 0 0 325.314 5.009 50 0 EKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(C)cc(C)c1 ZINC000012976046 207267123 /nfs/dbraw/zinc/26/71/23/207267123.db2.gz DPEDLGFDFUSNAY-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1Cl ZINC000012976606 201878312 /nfs/dbraw/zinc/87/83/12/201878312.db2.gz XMSOKPMAWBSTNG-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 EKAARN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)ccc1Cl ZINC000012978197 207268161 /nfs/dbraw/zinc/26/81/61/207268161.db2.gz ZOEHASKOCHDJMZ-CQSZACIVSA-N 0 0 331.843 5.178 50 0 EKAARN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)ccc1Cl ZINC000012978199 564084941 /nfs/dbraw/zinc/08/49/41/564084941.db2.gz ZOEHASKOCHDJMZ-AWEZNQCLSA-N 0 0 331.843 5.178 50 0 EKAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000012978934 207268175 /nfs/dbraw/zinc/26/81/75/207268175.db2.gz RJPXVFYMFMJCGB-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000012978985 563680964 /nfs/dbraw/zinc/68/09/64/563680964.db2.gz LAZQCXLWEJLPCD-UHFFFAOYSA-N 0 0 330.431 5.180 50 0 EKAARN CC(=O)N1CCc2cc(-c3nc(-c4cccc(C)c4)sc3C)ccc21 ZINC000012979145 211496803 /nfs/dbraw/zinc/49/68/03/211496803.db2.gz HRJJVGZYCOFSEA-UHFFFAOYSA-N 0 0 348.471 5.003 50 0 EKAARN Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)c(Cl)c1 ZINC000012979694 201878558 /nfs/dbraw/zinc/87/85/58/201878558.db2.gz MGUPXBOKAMDPLT-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1ccc(NC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012979979 563681330 /nfs/dbraw/zinc/68/13/30/563681330.db2.gz WLHCVGVZMJECMJ-SFHVURJKSA-N 0 0 340.423 5.107 50 0 EKAARN Cc1ccc(NC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012979981 563681347 /nfs/dbraw/zinc/68/13/47/563681347.db2.gz WLHCVGVZMJECMJ-GOSISDBHSA-N 0 0 340.423 5.107 50 0 EKAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccoc4)cc3)sc2c1 ZINC000012980501 564085442 /nfs/dbraw/zinc/08/54/42/564085442.db2.gz PEUXJFMLNUAFNV-UHFFFAOYSA-N 0 0 334.400 5.117 50 0 EKAARN Cc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 ZINC000012980573 563681236 /nfs/dbraw/zinc/68/12/36/563681236.db2.gz RNKOKHNVSOIQKB-GOSISDBHSA-N 0 0 340.423 5.107 50 0 EKAARN Cc1ccc([C@H](NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 ZINC000012980574 563681333 /nfs/dbraw/zinc/68/13/33/563681333.db2.gz 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ZINC000013122675 563688996 /nfs/dbraw/zinc/68/89/96/563688996.db2.gz KOZJZPGTYYNRAE-CTNGQTDRSA-N 0 0 325.415 5.183 50 0 EKAARN c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000013122676 563688950 /nfs/dbraw/zinc/68/89/50/563688950.db2.gz KOZJZPGTYYNRAE-PZJWPPBQSA-N 0 0 325.415 5.183 50 0 EKAARN c1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4nc3N2)cc1 ZINC000013122677 563688901 /nfs/dbraw/zinc/68/89/01/563688901.db2.gz KOZJZPGTYYNRAE-TZIWHRDSSA-N 0 0 325.415 5.183 50 0 EKAARN Clc1ccc(CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000013123809 211524632 /nfs/dbraw/zinc/52/46/32/211524632.db2.gz BWEOORAOMZGAAD-UHFFFAOYSA-N 0 0 341.823 5.164 50 0 EKAARN CCSC1=NC(C)(C)C=C(C=Cc2ccc(Cl)cc2Cl)N1 ZINC000013125362 564136019 /nfs/dbraw/zinc/13/60/19/564136019.db2.gz HDYJHMYOCQATSE-SOFGYWHQSA-N 0 0 341.307 5.381 50 0 aggregator EKAARN COc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccs3)C2)c1 ZINC000013126398 563689642 /nfs/dbraw/zinc/68/96/42/563689642.db2.gz AWGSHONTSWHLEI-UHFFFAOYSA-N 0 0 348.427 5.108 50 0 EKAARN Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000013126834 563689635 /nfs/dbraw/zinc/68/96/35/563689635.db2.gz KICYLOMHIDJZFF-UHFFFAOYSA-N 0 0 342.398 5.028 50 0 EKAARN Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013129743 563690010 /nfs/dbraw/zinc/69/00/10/563690010.db2.gz HLKACVLWVUPWAY-UHFFFAOYSA-N 0 0 349.437 6.200 50 0 EKAARN O=C(Cc1cccc2ccccc21)NCc1ccc(Cl)cc1Cl ZINC000013135230 563690651 /nfs/dbraw/zinc/69/06/51/563690651.db2.gz XKGROBSODGRCSJ-UHFFFAOYSA-N 0 0 344.241 5.006 50 0 EKAARN Cc1c2ccccc2oc1C(=O)Oc1ccc(C)cc1Br ZINC000013135289 563690613 /nfs/dbraw/zinc/69/06/13/563690613.db2.gz UISAPDJESDXDOS-UHFFFAOYSA-N 0 0 345.192 5.031 50 0 EKAARN Cc1ccc(Sc2ncccc2C(=O)Oc2ccccc2)c(C)c1 ZINC000013137309 564136059 /nfs/dbraw/zinc/13/60/59/564136059.db2.gz BOIRGKKXMAIYBK-UHFFFAOYSA-N 0 0 335.428 5.069 50 0 EKAARN c1ccc2c(c1)nc(-c1cccnc1)nc2NC1CCCCCCC1 ZINC000013140940 207356836 /nfs/dbraw/zinc/35/68/36/207356836.db2.gz KPHDEGYZCGJLCL-UHFFFAOYSA-N 0 0 332.451 5.217 50 0 EKAARN O=C(Nc1cccc(Cl)c1)Oc1ccc2oc3ccccc3c2c1 ZINC000013149309 564103706 /nfs/dbraw/zinc/10/37/06/564103706.db2.gz GWCSQTBVHZMCMJ-UHFFFAOYSA-N 0 0 337.762 5.850 50 0 EKAARN COc1ccc2ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc2c1 ZINC000013149312 563691421 /nfs/dbraw/zinc/69/14/21/563691421.db2.gz GPTDTKGZCQXOBH-UHFFFAOYSA-N 0 0 341.794 5.421 50 0 EKAARN c1c(-c2ccccc2)sc2ncnc(N3CCC[C@@H]4CCCC[C@H]43)c12 ZINC000013149354 563691341 /nfs/dbraw/zinc/69/13/41/563691341.db2.gz HYAFSQVOTAVYDS-MAUKXSAKSA-N 0 0 349.503 5.517 50 0 EKAARN c1c(-c2ccccc2)sc2ncnc(N3CCC[C@H]4CCCC[C@H]43)c12 ZINC000013149355 563691326 /nfs/dbraw/zinc/69/13/26/563691326.db2.gz HYAFSQVOTAVYDS-CRAIPNDOSA-N 0 0 349.503 5.517 50 0 EKAARN CCCCCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000013229433 211537463 /nfs/dbraw/zinc/53/74/63/211537463.db2.gz FHZOYACRIOYMLX-UHFFFAOYSA-N 0 0 328.843 5.842 50 0 EKAARN Cc1ccc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc2n1 ZINC000013235411 564073781 /nfs/dbraw/zinc/07/37/81/564073781.db2.gz BXDMBGMQGSIXID-UHFFFAOYSA-N 0 0 331.202 5.102 50 0 EKAARN O=C(Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1)c1ccccc1 ZINC000013281354 563693473 /nfs/dbraw/zinc/69/34/73/563693473.db2.gz CLDMSRWASLFPSX-UHFFFAOYSA-N 0 0 349.433 5.841 50 0 EKAARN CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013281402 563693522 /nfs/dbraw/zinc/69/35/22/563693522.db2.gz XCCJHWPREGFUJH-UHFFFAOYSA-N 0 0 340.426 5.809 50 0 EKAARN Clc1ccc2[nH]c(SCCOc3ccccc3Cl)nc2c1 ZINC000013281928 563693799 /nfs/dbraw/zinc/69/37/99/563693799.db2.gz YLDQJGBSSJDPSY-UHFFFAOYSA-N 0 0 339.247 5.041 50 0 EKAARN Cc1ccc2cccc(OC(=O)c3ccc(Cl)c(Cl)c3)c2n1 ZINC000013282599 201890301 /nfs/dbraw/zinc/89/03/01/201890301.db2.gz HIWPZKIFLXMSBR-UHFFFAOYSA-N 0 0 332.186 5.069 50 0 EKAARN Cc1cccnc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000013285121 563694165 /nfs/dbraw/zinc/69/41/65/563694165.db2.gz KADOXMSKMAUFNH-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1ccc2cccc(OCCCOc3ccc(Cl)cc3C)c2n1 ZINC000013285152 564073822 /nfs/dbraw/zinc/07/38/22/564073822.db2.gz IRTLMXOBRSTZCZ-UHFFFAOYSA-N 0 0 341.838 5.353 50 0 EKAARN C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000013302724 563694268 /nfs/dbraw/zinc/69/42/68/563694268.db2.gz XAPJFQGEZHMFNL-KSFYIVLOSA-N 0 0 340.426 5.243 50 0 EKAARN C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 ZINC000013302727 563694246 /nfs/dbraw/zinc/69/42/46/563694246.db2.gz XAPJFQGEZHMFNL-OPAMFIHVSA-N 0 0 340.426 5.243 50 0 EKAARN CCC(C)(C)C1CCC(NC(=O)Nc2cccc(SC)c2)CC1 ZINC000013320044 201890067 /nfs/dbraw/zinc/89/00/67/201890067.db2.gz APYOZQXHZXPJHL-UHFFFAOYSA-N 0 0 334.529 5.525 50 0 EKAARN CCCc1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013320045 564111419 /nfs/dbraw/zinc/11/14/19/564111419.db2.gz TUBZXYGHSABUMK-CQSZACIVSA-N 0 0 328.481 5.244 50 0 EKAARN CCCc1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013320046 564111415 /nfs/dbraw/zinc/11/14/15/564111415.db2.gz TUBZXYGHSABUMK-AWEZNQCLSA-N 0 0 328.481 5.244 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000013320077 564111430 /nfs/dbraw/zinc/11/14/30/564111430.db2.gz FMXOMIMHKGACAJ-UHFFFAOYSA-N 0 0 332.831 5.290 50 0 EKAARN CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000013320082 211542843 /nfs/dbraw/zinc/54/28/43/211542843.db2.gz AEQRMSPJMNALAP-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000013320084 201890082 /nfs/dbraw/zinc/89/00/82/201890082.db2.gz VIRKTHMSSIPIPK-UHFFFAOYSA-N 0 0 332.831 5.290 50 0 EKAARN Cc1ccc(NC(=O)Nc2cccc(Br)c2)cc1Cl ZINC000013320089 564111436 /nfs/dbraw/zinc/11/14/36/564111436.db2.gz RFYHWEYXIKOQGP-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1Cl ZINC000013320092 564111424 /nfs/dbraw/zinc/11/14/24/564111424.db2.gz PRRPDPNPBAMVPM-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Cl ZINC000013320094 564111425 /nfs/dbraw/zinc/11/14/25/564111425.db2.gz MGXJAHCCEFKIKH-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN Cc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl ZINC000013320095 564111412 /nfs/dbraw/zinc/11/14/12/564111412.db2.gz JHMWWMPRZOGKFD-UHFFFAOYSA-N 0 0 329.614 5.599 50 0 EKAARN CSc1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000013320108 211543518 /nfs/dbraw/zinc/54/35/18/211543518.db2.gz LCTALAHGRSTRAL-UHFFFAOYSA-N 0 0 341.263 5.037 50 0 EKAARN CSc1cccc(NC(=O)NCc2ccc(Cl)c(Cl)c2)c1 ZINC000013320127 211543606 /nfs/dbraw/zinc/54/36/06/211543606.db2.gz LCJAFYMPZPKQJW-UHFFFAOYSA-N 0 0 341.263 5.037 50 0 EKAARN CSc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000013320139 564111414 /nfs/dbraw/zinc/11/14/14/564111414.db2.gz YRVMECOVUYXAEY-UHFFFAOYSA-N 0 0 348.471 5.320 50 0 EKAARN CSc1cccc(NC(=O)NC2CCCCCCCCCCC2)c1 ZINC000013320142 211543262 /nfs/dbraw/zinc/54/32/62/211543262.db2.gz JKGBLMKWBWJEPU-UHFFFAOYSA-N 0 0 348.556 6.203 50 0 EKAARN Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1F ZINC000013320153 564111437 /nfs/dbraw/zinc/11/14/37/564111437.db2.gz ZDLKKVQLJVHJCC-UHFFFAOYSA-N 0 0 334.394 5.045 50 0 EKAARN Cc1ccc(NC(=O)NC2CCCCCCCCCCC2)cc1F ZINC000013320197 564111416 /nfs/dbraw/zinc/11/14/16/564111416.db2.gz DXAUYSDRPDYPBS-UHFFFAOYSA-N 0 0 334.479 5.929 50 0 EKAARN CC[C@@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000013320287 211543212 /nfs/dbraw/zinc/54/32/12/211543212.db2.gz KLTLEARHVXFVBC-KXDMBUCYSA-N 0 0 344.474 5.251 50 0 EKAARN CC[C@H](NC(=O)Nc1ccc(C)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000013320288 564111423 /nfs/dbraw/zinc/11/14/23/564111423.db2.gz KLTLEARHVXFVBC-IXYLRAAXSA-N 0 0 344.474 5.251 50 0 EKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCCC1 ZINC000013320419 564111462 /nfs/dbraw/zinc/11/14/62/564111462.db2.gz DYETXOPGRYIECE-UHFFFAOYSA-N 0 0 334.769 5.203 50 0 EKAARN CCCCC[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320425 564111470 /nfs/dbraw/zinc/11/14/70/564111470.db2.gz JIHQXBVVTYOYID-SNVBAGLBSA-N 0 0 336.785 5.449 50 0 EKAARN CCCCC[C@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320426 564111463 /nfs/dbraw/zinc/11/14/63/564111463.db2.gz JIHQXBVVTYOYID-JTQLQIEISA-N 0 0 336.785 5.449 50 0 EKAARN C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013320427 211542968 /nfs/dbraw/zinc/54/29/68/211542968.db2.gz YFSQVAAUPYOTAX-SNVBAGLBSA-N 0 0 342.748 5.242 50 0 EKAARN C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013320428 211543704 /nfs/dbraw/zinc/54/37/04/211543704.db2.gz YFSQVAAUPYOTAX-JTQLQIEISA-N 0 0 342.748 5.242 50 0 EKAARN O=C(NCCC1=CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320434 201889975 /nfs/dbraw/zinc/88/99/75/201889975.db2.gz LYSODAJZOQFIAY-UHFFFAOYSA-N 0 0 346.780 5.371 50 0 EKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)NC1CCCCCCC1 ZINC000013320447 564111446 /nfs/dbraw/zinc/11/14/46/564111446.db2.gz FBLIQLJUSOKNRM-UHFFFAOYSA-N 0 0 348.796 5.593 50 0 EKAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320451 564111452 /nfs/dbraw/zinc/11/14/52/564111452.db2.gz JBBWYIAVZACJNU-SKDRFNHKSA-N 0 0 334.769 5.059 50 0 EKAARN C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320452 564111466 /nfs/dbraw/zinc/11/14/66/564111466.db2.gz JBBWYIAVZACJNU-CABZTGNLSA-N 0 0 334.769 5.059 50 0 EKAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320453 201889885 /nfs/dbraw/zinc/88/98/85/201889885.db2.gz JBBWYIAVZACJNU-BXKDBHETSA-N 0 0 334.769 5.059 50 0 EKAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320454 564111471 /nfs/dbraw/zinc/11/14/71/564111471.db2.gz JBBWYIAVZACJNU-JOYOIKCWSA-N 0 0 334.769 5.059 50 0 EKAARN O=C(NCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320456 564111449 /nfs/dbraw/zinc/11/14/49/564111449.db2.gz UNNBCRVUAKLRBC-UHFFFAOYSA-N 0 0 334.769 5.061 50 0 EKAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C ZINC000013320458 211543376 /nfs/dbraw/zinc/54/33/76/211543376.db2.gz LVOWNOMWHJFPAW-GIPNMCIBSA-N 0 0 348.796 5.305 50 0 EKAARN C[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]1C ZINC000013320460 564111448 /nfs/dbraw/zinc/11/14/48/564111448.db2.gz LVOWNOMWHJFPAW-BREBYQMCSA-N 0 0 348.796 5.305 50 0 EKAARN Cc1cc(C)nc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013320492 201889677 /nfs/dbraw/zinc/88/96/77/201889677.db2.gz IREWXYOOKDVMMG-UHFFFAOYSA-N 0 0 343.736 5.015 50 0 EKAARN CCC1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320528 564111453 /nfs/dbraw/zinc/11/14/53/564111453.db2.gz NXECWIIBLNKJOO-UHFFFAOYSA-N 0 0 348.796 5.449 50 0 EKAARN CC[C@@H](C)c1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013321214 564111442 /nfs/dbraw/zinc/11/14/42/564111442.db2.gz KHNHKLVGGFASDL-HUUCEWRRSA-N 0 0 342.508 5.805 50 0 EKAARN CC[C@H](C)c1ccc([C@@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013321216 564111444 /nfs/dbraw/zinc/11/14/44/564111444.db2.gz KHNHKLVGGFASDL-LSDHHAIUSA-N 0 0 342.508 5.805 50 0 EKAARN CC[C@@H](C)c1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013321218 564111457 /nfs/dbraw/zinc/11/14/57/564111457.db2.gz KHNHKLVGGFASDL-CABCVRRESA-N 0 0 342.508 5.805 50 0 EKAARN CC[C@H](C)c1ccc([C@H](C)NC(=O)Nc2cccc(SC)c2)cc1 ZINC000013321220 564111455 /nfs/dbraw/zinc/11/14/55/564111455.db2.gz KHNHKLVGGFASDL-GJZGRUSLSA-N 0 0 342.508 5.805 50 0 EKAARN Cc1cccc(NC(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000013321276 564111460 /nfs/dbraw/zinc/11/14/60/564111460.db2.gz RONDNGXXJZNYAL-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000013321280 211544846 /nfs/dbraw/zinc/54/48/46/211544846.db2.gz DKXNKIAAUXVLNB-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN Cc1cccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000013321288 564111461 /nfs/dbraw/zinc/11/14/61/564111461.db2.gz MXEJQTOQYKUIDW-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(F)c1 ZINC000013321294 564111456 /nfs/dbraw/zinc/11/14/56/564111456.db2.gz AEKYZWLWMRXAFF-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000013321296 211544577 /nfs/dbraw/zinc/54/45/77/211544577.db2.gz XXJWCUJUSGECJQ-UHFFFAOYSA-N 0 0 329.227 5.250 50 0 EKAARN CCc1ccc(NC(=O)N[C@H](CC)c2ccc([C@H](C)CC)cc2)cc1 ZINC000013321298 564136222 /nfs/dbraw/zinc/13/62/22/564136222.db2.gz MELAFEGQZNNACL-IIBYNOLFSA-N 0 0 338.495 6.035 50 0 EKAARN CCc1ccc(NC(=O)N[C@H](CC)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000013321300 564111499 /nfs/dbraw/zinc/11/14/99/564111499.db2.gz MELAFEGQZNNACL-HRAATJIYSA-N 0 0 338.495 6.035 50 0 EKAARN CCc1ccc(NC(=O)N[C@@H](CC)c2ccc([C@H](C)CC)cc2)cc1 ZINC000013321302 211544151 /nfs/dbraw/zinc/54/41/51/211544151.db2.gz MELAFEGQZNNACL-IERDGZPVSA-N 0 0 338.495 6.035 50 0 EKAARN CCc1ccc(NC(=O)N[C@@H](CC)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000013321304 564111493 /nfs/dbraw/zinc/11/14/93/564111493.db2.gz MELAFEGQZNNACL-KKSFZXQISA-N 0 0 338.495 6.035 50 0 EKAARN CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000013325431 563694666 /nfs/dbraw/zinc/69/46/66/563694666.db2.gz JLOLBXBPRLYBSL-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN CCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 ZINC000013325466 563694565 /nfs/dbraw/zinc/69/45/65/563694565.db2.gz QVLZNRCBLMHUNC-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000013325512 563694496 /nfs/dbraw/zinc/69/44/96/563694496.db2.gz IWNITODUXSKFMV-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN CC(C)c1ccc(-c2nnc(SCc3cccc(F)c3)n2C)cc1 ZINC000013325572 211545898 /nfs/dbraw/zinc/54/58/98/211545898.db2.gz AZSAXRZRJDOPHO-UHFFFAOYSA-N 0 0 341.455 5.037 50 0 EKAARN Cc1scc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C ZINC000013325797 563694948 /nfs/dbraw/zinc/69/49/48/563694948.db2.gz UZQQLCLPYYTQCC-UHFFFAOYSA-N 0 0 333.762 5.289 50 0 EKAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)s1 ZINC000013325799 201891473 /nfs/dbraw/zinc/89/14/73/201891473.db2.gz SRECWZNGIGNVTQ-UHFFFAOYSA-N 0 0 340.153 5.326 50 0 EKAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(F)cc1 ZINC000013325873 564111528 /nfs/dbraw/zinc/11/15/28/564111528.db2.gz HIDHUUAFDQTDFY-UHFFFAOYSA-N 0 0 347.846 5.050 50 0 EKAARN S=C(NCc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000013325905 564111515 /nfs/dbraw/zinc/11/15/15/564111515.db2.gz GDNOZKQDGVDQGK-UHFFFAOYSA-N 0 0 345.682 5.133 50 0 EKAARN CC(C)CN(CC(C)C)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000013326495 564111555 /nfs/dbraw/zinc/11/15/55/564111555.db2.gz HNKRMTXGOMZQPF-UHFFFAOYSA-N 0 0 333.328 5.304 50 0 EKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 ZINC000013326531 563695286 /nfs/dbraw/zinc/69/52/86/563695286.db2.gz UMIRVFBLTPPRCM-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN CC[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1 ZINC000013328932 564111562 /nfs/dbraw/zinc/11/15/62/564111562.db2.gz ZALHOHIQFIDFEH-GOSISDBHSA-N 0 0 330.859 5.736 50 0 EKAARN CC[C@H](NC(=O)Nc1ccc(C(C)C)cc1)c1ccc(Cl)cc1 ZINC000013328934 211547043 /nfs/dbraw/zinc/54/70/43/211547043.db2.gz ZALHOHIQFIDFEH-SFHVURJKSA-N 0 0 330.859 5.736 50 0 EKAARN CCOc1ccccc1NC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000013328964 564111564 /nfs/dbraw/zinc/11/15/64/564111564.db2.gz KYZFSYKPJMKVLP-HNNXBMFYSA-N 0 0 332.831 5.012 50 0 EKAARN CCOc1ccccc1NC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000013328966 564111548 /nfs/dbraw/zinc/11/15/48/564111548.db2.gz KYZFSYKPJMKVLP-OAHLLOKOSA-N 0 0 332.831 5.012 50 0 EKAARN CCOc1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1 ZINC000013328968 564111577 /nfs/dbraw/zinc/11/15/77/564111577.db2.gz HQWDRHBYXIFGMA-KRWDZBQOSA-N 0 0 332.831 5.012 50 0 EKAARN CCOc1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1 ZINC000013328970 564111575 /nfs/dbraw/zinc/11/15/75/564111575.db2.gz HQWDRHBYXIFGMA-QGZVFWFLSA-N 0 0 332.831 5.012 50 0 EKAARN CC[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000013328980 564111568 /nfs/dbraw/zinc/11/15/68/564111568.db2.gz BXHHHZGVLXAMLT-OAHLLOKOSA-N 0 0 341.213 5.405 50 0 EKAARN CC[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000013328982 564111546 /nfs/dbraw/zinc/11/15/46/564111546.db2.gz BXHHHZGVLXAMLT-HNNXBMFYSA-N 0 0 341.213 5.405 50 0 EKAARN CC[C@@H](NC(=O)Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000013328992 211547130 /nfs/dbraw/zinc/54/71/30/211547130.db2.gz FJRXLFFYIKALNP-GOSISDBHSA-N 0 0 338.838 5.766 50 0 EKAARN CC[C@H](NC(=O)Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000013328994 564111549 /nfs/dbraw/zinc/11/15/49/564111549.db2.gz FJRXLFFYIKALNP-SFHVURJKSA-N 0 0 338.838 5.766 50 0 EKAARN CC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000013329011 564111560 /nfs/dbraw/zinc/11/15/60/564111560.db2.gz UOYCUJAHFPREIN-XAPRQVHKSA-N 0 0 346.902 5.059 50 0 EKAARN CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000013329013 564111567 /nfs/dbraw/zinc/11/15/67/564111567.db2.gz UOYCUJAHFPREIN-ITOSSNOYSA-N 0 0 346.902 5.059 50 0 EKAARN CCCCc1ccc(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)cc1 ZINC000013329031 564111550 /nfs/dbraw/zinc/11/15/50/564111550.db2.gz OMEBSYQKJARBGT-IBGZPJMESA-N 0 0 344.886 5.955 50 0 EKAARN CCCCc1ccc(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)cc1 ZINC000013329033 211547401 /nfs/dbraw/zinc/54/74/01/211547401.db2.gz OMEBSYQKJARBGT-LJQANCHMSA-N 0 0 344.886 5.955 50 0 EKAARN O=C(Nc1ccccc1Oc1ccccc1)c1c(F)cccc1F ZINC000013329694 211547155 /nfs/dbraw/zinc/54/71/55/211547155.db2.gz KEPWQDRIXIPLMM-UHFFFAOYSA-N 0 0 325.314 5.009 50 0 EKAARN C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000013329907 564111581 /nfs/dbraw/zinc/11/15/81/564111581.db2.gz KGMCGQANAFMNCV-SECBINFHSA-N 0 0 327.186 5.015 50 0 EKAARN C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl ZINC000013329909 564111598 /nfs/dbraw/zinc/11/15/98/564111598.db2.gz KGMCGQANAFMNCV-VIFPVBQESA-N 0 0 327.186 5.015 50 0 EKAARN C[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000013329911 564111584 /nfs/dbraw/zinc/11/15/84/564111584.db2.gz KYRDSDRKBMBXOV-SECBINFHSA-N 0 0 327.186 5.015 50 0 EKAARN C[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1Cl ZINC000013329913 564111608 /nfs/dbraw/zinc/11/16/08/564111608.db2.gz KYRDSDRKBMBXOV-VIFPVBQESA-N 0 0 327.186 5.015 50 0 EKAARN CCc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000013329915 211547188 /nfs/dbraw/zinc/54/71/88/211547188.db2.gz QFAOOOXJFROPDP-NSHDSACASA-N 0 0 337.250 5.439 50 0 EKAARN CCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000013329917 211547343 /nfs/dbraw/zinc/54/73/43/211547343.db2.gz QFAOOOXJFROPDP-LLVKDONJSA-N 0 0 337.250 5.439 50 0 EKAARN Cc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000013329935 564111579 /nfs/dbraw/zinc/11/15/79/564111579.db2.gz QDVYNNYLIFJAJO-GFCCVEGCSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1C ZINC000013329937 563999744 /nfs/dbraw/zinc/99/97/44/563999744.db2.gz QDVYNNYLIFJAJO-LBPRGKRZSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013329939 564111609 /nfs/dbraw/zinc/11/16/09/564111609.db2.gz INTTZLVPXSKLAT-GFCCVEGCSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1cc(C)cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013329941 564111591 /nfs/dbraw/zinc/11/15/91/564111591.db2.gz INTTZLVPXSKLAT-LBPRGKRZSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000013329943 564111612 /nfs/dbraw/zinc/11/16/12/564111612.db2.gz YQIOJLFZWWZDKX-SNVBAGLBSA-N 0 0 341.213 5.324 50 0 EKAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000013329945 564111611 /nfs/dbraw/zinc/11/16/11/564111611.db2.gz YQIOJLFZWWZDKX-JTQLQIEISA-N 0 0 341.213 5.324 50 0 EKAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013329955 564111582 /nfs/dbraw/zinc/11/15/82/564111582.db2.gz LCUDXJKKAPHGRH-GFCCVEGCSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013329957 564111585 /nfs/dbraw/zinc/11/15/85/564111585.db2.gz LCUDXJKKAPHGRH-LBPRGKRZSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013329959 211547372 /nfs/dbraw/zinc/54/73/72/211547372.db2.gz SOSGTLFBWIRTTO-GFCCVEGCSA-N 0 0 337.250 5.493 50 0 EKAARN Cc1ccc(C)c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000013329961 211547352 /nfs/dbraw/zinc/54/73/52/211547352.db2.gz SOSGTLFBWIRTTO-LBPRGKRZSA-N 0 0 337.250 5.493 50 0 EKAARN C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000013330003 211547145 /nfs/dbraw/zinc/54/71/45/211547145.db2.gz KSTDEKAHHHHLQZ-SECBINFHSA-N 0 0 343.641 5.530 50 0 EKAARN C[C@H](NC(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000013330005 564111586 /nfs/dbraw/zinc/11/15/86/564111586.db2.gz KSTDEKAHHHHLQZ-VIFPVBQESA-N 0 0 343.641 5.530 50 0 EKAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000013330007 564111606 /nfs/dbraw/zinc/11/16/06/564111606.db2.gz QFMRRTDCHYQERC-SECBINFHSA-N 0 0 343.641 5.530 50 0 EKAARN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000013330009 564111594 /nfs/dbraw/zinc/11/15/94/564111594.db2.gz QFMRRTDCHYQERC-VIFPVBQESA-N 0 0 343.641 5.530 50 0 EKAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013330079 564111610 /nfs/dbraw/zinc/11/16/10/564111610.db2.gz ITBHMPHDWLMAQK-SECBINFHSA-N 0 0 343.641 5.530 50 0 EKAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013330081 211546959 /nfs/dbraw/zinc/54/69/59/211546959.db2.gz ITBHMPHDWLMAQK-VIFPVBQESA-N 0 0 343.641 5.530 50 0 EKAARN C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000013330087 564111597 /nfs/dbraw/zinc/11/15/97/564111597.db2.gz NSSLMMQQHYQHCA-MRVPVSSYSA-N 0 0 345.176 5.154 50 0 EKAARN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000013330089 201890853 /nfs/dbraw/zinc/89/08/53/201890853.db2.gz NSSLMMQQHYQHCA-QMMMGPOBSA-N 0 0 345.176 5.154 50 0 EKAARN CC[C@@H](NC(=O)Nc1cc(Cl)ccc1C)c1ccc(Cl)cc1 ZINC000013330204 211547385 /nfs/dbraw/zinc/54/73/85/211547385.db2.gz NXWLKLZXDIRWRA-OAHLLOKOSA-N 0 0 337.250 5.575 50 0 EKAARN CC[C@H](NC(=O)Nc1cc(Cl)ccc1C)c1ccc(Cl)cc1 ZINC000013330206 564111639 /nfs/dbraw/zinc/11/16/39/564111639.db2.gz NXWLKLZXDIRWRA-HNNXBMFYSA-N 0 0 337.250 5.575 50 0 EKAARN Cc1nc(NC(=O)c2sc3cccc(F)c3c2Cl)sc1C ZINC000013331444 563696397 /nfs/dbraw/zinc/69/63/97/563696397.db2.gz HYUODEWXWNSYBY-UHFFFAOYSA-N 0 0 340.832 5.019 50 0 EKAARN O=C(Nc1ccccc1)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351322 211550261 /nfs/dbraw/zinc/55/02/61/211550261.db2.gz JGKANURYPCIMQZ-UHFFFAOYSA-N 0 0 327.387 5.479 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1 ZINC000013351358 211550148 /nfs/dbraw/zinc/55/01/48/211550148.db2.gz LTWKPRXZVFKURO-UHFFFAOYSA-N 0 0 341.414 5.787 50 0 EKAARN Cc1ccccc1NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351363 564136263 /nfs/dbraw/zinc/13/62/63/564136263.db2.gz PIWVRALUVJCAAJ-UHFFFAOYSA-N 0 0 341.414 5.787 50 0 EKAARN Cc1cccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)c1 ZINC000013351384 564136265 /nfs/dbraw/zinc/13/62/65/564136265.db2.gz APOZPZXUILSCJB-UHFFFAOYSA-N 0 0 341.414 5.787 50 0 EKAARN O=C(Nc1ccccc1-c1cc2ccccc2[nH]1)NC1CCCCC1 ZINC000013351517 564136268 /nfs/dbraw/zinc/13/62/68/564136268.db2.gz JSQSAUNUPVXQKC-UHFFFAOYSA-N 0 0 333.435 5.289 50 0 EKAARN COc1cccc(-c2nc(-c3ccccc3)c(-c3ccsc3)[nH]2)c1 ZINC000013361689 563697064 /nfs/dbraw/zinc/69/70/64/563697064.db2.gz ZDIRKBVFLXPHRK-UHFFFAOYSA-N 0 0 332.428 5.481 50 0 EKAARN CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000013364556 211550942 /nfs/dbraw/zinc/55/09/42/211550942.db2.gz ZVOPFTQUJUEQNI-UHFFFAOYSA-N 0 0 340.423 5.006 50 0 EKAARN CSc1nc(-c2ccc(C)cc2)nc2c1Cc1cccc(C)c1O2 ZINC000013368636 564136310 /nfs/dbraw/zinc/13/63/10/564136310.db2.gz DLPRNTPBCDUHHV-UHFFFAOYSA-N 0 0 334.444 5.179 50 0 EKAARN O=C(c1ccc(Cl)cc1)N1CCc2cc(-c3ccsc3)ccc21 ZINC000013368844 564136324 /nfs/dbraw/zinc/13/63/24/564136324.db2.gz NEDNZYFIHSGUQO-UHFFFAOYSA-N 0 0 339.847 5.271 50 0 EKAARN CC(C)(C)n1c(-c2ccc(Cl)cc2)cs/c1=N\Cc1ccco1 ZINC000013400928 564136355 /nfs/dbraw/zinc/13/63/55/564136355.db2.gz WKEUUHXWEAXYOL-JZJYNLBNSA-N 0 0 346.883 5.319 50 0 EKAARN Cc1ccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@@H]23)c(C)c1 ZINC000013401120 564136345 /nfs/dbraw/zinc/13/63/45/564136345.db2.gz GOYSMGSBVGBIAH-FZDIXFNVSA-N 0 0 334.912 5.391 50 0 EKAARN Brc1cccc2cc(C=NNc3ccccc3)ccc12 ZINC000013404341 564129010 /nfs/dbraw/zinc/12/90/10/564129010.db2.gz CTIGYEJQXCSSSD-UHFFFAOYSA-N 0 0 325.209 5.048 50 0 EKAARN CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013408321 563698129 /nfs/dbraw/zinc/69/81/29/563698129.db2.gz BLNQANGFOGHVAO-ZCPXKWAGSA-N 0 0 330.512 5.314 50 0 EKAARN CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013408406 563698134 /nfs/dbraw/zinc/69/81/34/563698134.db2.gz FZEADSGDYUIZQS-KAKDVIIHSA-N 0 0 332.528 5.105 50 0 EKAARN CCC1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000013408660 564129000 /nfs/dbraw/zinc/12/90/00/564129000.db2.gz WYXLHJNYQBRALN-IJZRVPMXSA-N 0 0 344.539 5.907 50 0 EKAARN C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000013463821 564074313 /nfs/dbraw/zinc/07/43/13/564074313.db2.gz ABSSQTMYTFIBHO-NSISKUIASA-N 0 0 327.512 5.291 50 0 EKAARN C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000013463825 564074300 /nfs/dbraw/zinc/07/43/00/564074300.db2.gz ABSSQTMYTFIBHO-LSTHTHJFSA-N 0 0 327.512 5.291 50 0 EKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000013465747 563698808 /nfs/dbraw/zinc/69/88/08/563698808.db2.gz SFTIRRHUYMDLOA-XUJVJEKNSA-N 0 0 328.283 5.184 50 0 EKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000013465749 563698900 /nfs/dbraw/zinc/69/89/00/563698900.db2.gz SFTIRRHUYMDLOA-JMSVASOKSA-N 0 0 328.283 5.184 50 0 EKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000013465843 563698795 /nfs/dbraw/zinc/69/87/95/563698795.db2.gz DJQHSGXNDXYBBS-OIBXWCBGSA-N 0 0 349.518 5.790 50 0 EKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000013465845 563698778 /nfs/dbraw/zinc/69/87/78/563698778.db2.gz DJQHSGXNDXYBBS-PTUXOGIPSA-N 0 0 349.518 5.790 50 0 EKAARN Cc1nc(-c2ccccc2)[nH]c(=O)c1Oc1ccc(Cl)cc1Cl ZINC000013469632 563699063 /nfs/dbraw/zinc/69/90/63/563699063.db2.gz VNWPRSGMPKJJFQ-UHFFFAOYSA-N 0 0 347.201 5.257 50 0 EKAARN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2 ZINC000013475765 211563871 /nfs/dbraw/zinc/56/38/71/211563871.db2.gz WSMVBFAVEXXTQW-ZZEZOPTASA-N 0 0 338.501 5.678 50 0 EKAARN CCCCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000013476531 563699135 /nfs/dbraw/zinc/69/91/35/563699135.db2.gz JDNLPKCAXICMBW-UHFFFAOYSA-N 0 0 341.454 6.216 50 0 in-vitro EKAARN FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2)c1 ZINC000013483233 211566291 /nfs/dbraw/zinc/56/62/91/211566291.db2.gz LJBZBKNSZJQBBC-UHFFFAOYSA-N 0 0 330.762 5.168 50 0 EKAARN Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000013496965 563699736 /nfs/dbraw/zinc/69/97/36/563699736.db2.gz LSLBZAFVKUEBJS-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN FC(F)(F)c1ccccc1NC(=S)Nc1cccc(Cl)c1 ZINC000013496972 201897821 /nfs/dbraw/zinc/89/78/21/201897821.db2.gz RARSJTANNWNHOW-UHFFFAOYSA-N 0 0 330.762 5.168 50 0 EKAARN Cc1cccc(C)c1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013496978 563699728 /nfs/dbraw/zinc/69/97/28/563699728.db2.gz DXMOCWRWXPCGHL-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN CCCCn1c2ccccc2nc1NCc1cccc2ccccc21 ZINC000013510987 563700297 /nfs/dbraw/zinc/70/02/97/563700297.db2.gz UDHABFXZOIZQAY-UHFFFAOYSA-N 0 0 329.447 5.602 50 0 EKAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1 ZINC000013549450 563701030 /nfs/dbraw/zinc/70/10/30/563701030.db2.gz FUKVIPWUDGTFMX-UHFFFAOYSA-N 0 0 329.812 5.108 50 0 EKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000013550849 563701532 /nfs/dbraw/zinc/70/15/32/563701532.db2.gz CVJOZCQYOQIZCX-ZDUSSCGKSA-N 0 0 343.839 5.019 50 0 EKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000013550851 563701444 /nfs/dbraw/zinc/70/14/44/563701444.db2.gz CVJOZCQYOQIZCX-CYBMUJFWSA-N 0 0 343.839 5.019 50 0 EKAARN COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@@]12C ZINC000013550925 563930044 /nfs/dbraw/zinc/93/00/44/563930044.db2.gz TWPKVIVCLJTFPY-SEVLPDGMSA-N 0 0 334.500 5.040 50 0 EKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000013553069 563701472 /nfs/dbraw/zinc/70/14/72/563701472.db2.gz FEBHSGPKVDABTL-AWEZNQCLSA-N 0 0 343.839 5.019 50 0 EKAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000013553070 563701448 /nfs/dbraw/zinc/70/14/48/563701448.db2.gz FEBHSGPKVDABTL-CQSZACIVSA-N 0 0 343.839 5.019 50 0 EKAARN Clc1ccc(-c2cc3nc(-c4ccccc4)cc(Cl)n3n2)cc1 ZINC000013562722 563701755 /nfs/dbraw/zinc/70/17/55/563701755.db2.gz YPHABIMODRQRNI-UHFFFAOYSA-N 0 0 340.213 5.370 50 0 EKAARN CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(Cl)cc1 ZINC000013563213 563701861 /nfs/dbraw/zinc/70/18/61/563701861.db2.gz QUVSJMSSMNSCDP-ZZEZOPTASA-N 0 0 328.868 5.431 50 0 EKAARN CCCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000013564066 563702164 /nfs/dbraw/zinc/70/21/64/563702164.db2.gz DDAXXMWUGOIMLR-QGZVFWFLSA-N 0 0 349.478 5.108 50 0 EKAARN CCCCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000013564068 211580952 /nfs/dbraw/zinc/58/09/52/211580952.db2.gz DDAXXMWUGOIMLR-KRWDZBQOSA-N 0 0 349.478 5.108 50 0 EKAARN Cc1csc(N2N=C(c3cccs3)C[C@H]2c2ccc(C)cc2)n1 ZINC000013570203 563702232 /nfs/dbraw/zinc/70/22/32/563702232.db2.gz XXBOOGWHOYDIQK-INIZCTEOSA-N 0 0 339.489 5.177 50 0 EKAARN Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2ccc(C)cc2)n1 ZINC000013570204 563702193 /nfs/dbraw/zinc/70/21/93/563702193.db2.gz XXBOOGWHOYDIQK-MRXNPFEDSA-N 0 0 339.489 5.177 50 0 EKAARN Cc1ccccc1NC(=S)N(Cc1cccs1)C1CCCCC1 ZINC000013573196 563930375 /nfs/dbraw/zinc/93/03/75/563930375.db2.gz NENSIQKUNMGGLK-UHFFFAOYSA-N 0 0 344.549 5.588 50 0 EKAARN Cc1ccccc1NC(=S)N(Cc1cccs1)C1CCCC1 ZINC000013573199 563930378 /nfs/dbraw/zinc/93/03/78/563930378.db2.gz CAADKFGYJDSMBK-UHFFFAOYSA-N 0 0 330.522 5.198 50 0 EKAARN Cc1cccc(C)c1NC(=S)N(Cc1cccs1)C1CCCC1 ZINC000013573427 563930364 /nfs/dbraw/zinc/93/03/64/563930364.db2.gz WNZYJCMEYBOCKG-UHFFFAOYSA-N 0 0 344.549 5.507 50 0 EKAARN CCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000013574154 564128994 /nfs/dbraw/zinc/12/89/94/564128994.db2.gz MZWDNWGOALGHNY-XPNTWCBSSA-N 0 0 335.491 5.570 50 0 EKAARN C[C@@H]1C[C@@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000013574326 568421610 /nfs/dbraw/zinc/42/16/10/568421610.db2.gz NGGPJPOYDLNDLC-HUUCEWRRSA-N 0 0 338.476 5.387 50 0 EKAARN C[C@@H]1C[C@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000013574337 568421553 /nfs/dbraw/zinc/42/15/53/568421553.db2.gz NGGPJPOYDLNDLC-GASCZTMLSA-N 0 0 338.476 5.387 50 0 EKAARN C[C@H]1C[C@H](C)CN(C(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000013574343 211583974 /nfs/dbraw/zinc/58/39/74/211583974.db2.gz NGGPJPOYDLNDLC-GJZGRUSLSA-N 0 0 338.476 5.387 50 0 EKAARN CC1CCC(NC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000013574418 211583504 /nfs/dbraw/zinc/58/35/04/211583504.db2.gz WNKONZPUFOHPHS-UHFFFAOYSA-N 0 0 338.476 5.578 50 0 EKAARN O=C(NCc1cccs1)N1c2ccccc2Sc2ccccc21 ZINC000013574550 568421600 /nfs/dbraw/zinc/42/16/00/568421600.db2.gz HGUUATMSRGJSPY-UHFFFAOYSA-N 0 0 338.457 5.261 50 0 EKAARN C[C@@H]1CCCC[C@@H]1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013574641 568421575 /nfs/dbraw/zinc/42/15/75/568421575.db2.gz GHHWPJMKJUWQOB-CABCVRRESA-N 0 0 338.476 5.578 50 0 EKAARN C[C@H]1CCCC[C@@H]1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013574645 568421570 /nfs/dbraw/zinc/42/15/70/568421570.db2.gz GHHWPJMKJUWQOB-GJZGRUSLSA-N 0 0 338.476 5.578 50 0 EKAARN C[C@@H]1CCCC[C@H]1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013574649 207469389 /nfs/dbraw/zinc/46/93/89/207469389.db2.gz GHHWPJMKJUWQOB-HUUCEWRRSA-N 0 0 338.476 5.578 50 0 EKAARN C[C@H]1CCCC[C@H]1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013574654 207469515 /nfs/dbraw/zinc/46/95/15/207469515.db2.gz GHHWPJMKJUWQOB-LSDHHAIUSA-N 0 0 338.476 5.578 50 0 EKAARN CC(=O)Oc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000013581917 563930455 /nfs/dbraw/zinc/93/04/55/563930455.db2.gz QQGOTMAKPDCFIF-DQRAZIAOSA-N 0 0 348.829 5.767 50 0 EKAARN CCCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013586471 564089286 /nfs/dbraw/zinc/08/92/86/564089286.db2.gz LZYGCRHBKZGRBD-UHFFFAOYSA-N 0 0 345.446 5.329 50 0 EKAARN FC(F)(F)c1ccccc1NC(=S)Nc1cccc2cnccc21 ZINC000013598042 563703160 /nfs/dbraw/zinc/70/31/60/563703160.db2.gz MPHOANNAMFUFPA-UHFFFAOYSA-N 0 0 347.365 5.063 50 0 EKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616329 563703979 /nfs/dbraw/zinc/70/39/79/563703979.db2.gz WTPHVBRBJJLSKL-UNMCSNQZSA-N 0 0 344.389 5.068 50 0 EKAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616332 563703952 /nfs/dbraw/zinc/70/39/52/563703952.db2.gz WTPHVBRBJJLSKL-IRLDBZIGSA-N 0 0 344.389 5.068 50 0 EKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616344 563703986 /nfs/dbraw/zinc/70/39/86/563703986.db2.gz ZVJDYYWBDOZILP-MJGOQNOKSA-N 0 0 326.827 5.010 50 0 EKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000013616346 211593124 /nfs/dbraw/zinc/59/31/24/211593124.db2.gz ZVJDYYWBDOZILP-IEBWSBKVSA-N 0 0 326.827 5.010 50 0 EKAARN CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013616412 211592549 /nfs/dbraw/zinc/59/25/49/211592549.db2.gz BWRCCWGTNWSOQM-MJGOQNOKSA-N 0 0 326.827 5.010 50 0 EKAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C2CCCCC2)cc1 ZINC000013616479 564129014 /nfs/dbraw/zinc/12/90/14/564129014.db2.gz AWUVGJODILTFKA-GMAHTHKFSA-N 0 0 346.474 5.445 50 0 EKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013616481 563703945 /nfs/dbraw/zinc/70/39/45/563703945.db2.gz CGHXBMDJGVVKRQ-QUCCMNQESA-N 0 0 340.854 5.318 50 0 EKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 ZINC000013616483 563704275 /nfs/dbraw/zinc/70/42/75/563704275.db2.gz CGHXBMDJGVVKRQ-UYAOXDASSA-N 0 0 340.854 5.318 50 0 EKAARN c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)c1 ZINC000013616573 563704206 /nfs/dbraw/zinc/70/42/06/563704206.db2.gz LZHWXQRBTSDFEJ-FXAWDEMLSA-N 0 0 338.476 5.198 50 0 EKAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C2CCCCC2)c1 ZINC000013616575 563704338 /nfs/dbraw/zinc/70/43/38/563704338.db2.gz LZHWXQRBTSDFEJ-YLJYHZDGSA-N 0 0 338.476 5.198 50 0 EKAARN CCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616601 563704361 /nfs/dbraw/zinc/70/43/61/563704361.db2.gz CDJQLKUHAZOYMD-PBHICJAKSA-N 0 0 332.856 5.071 50 0 EKAARN CCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000013616603 211593144 /nfs/dbraw/zinc/59/31/44/211593144.db2.gz CDJQLKUHAZOYMD-RHSMWYFYSA-N 0 0 332.856 5.071 50 0 EKAARN Cc1csc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2C)n1 ZINC000013623640 563704284 /nfs/dbraw/zinc/70/42/84/563704284.db2.gz YAKBLUNQUMVLHL-FQEVSTJZSA-N 0 0 347.487 5.424 50 0 EKAARN Cc1csc(N2N=C(c3cccs3)C[C@H]2c2cccc(C)c2)n1 ZINC000013624076 211592743 /nfs/dbraw/zinc/59/27/43/211592743.db2.gz GNVPFZITLQAOFV-INIZCTEOSA-N 0 0 339.489 5.177 50 0 EKAARN Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2cccc(C)c2)n1 ZINC000013624077 563704378 /nfs/dbraw/zinc/70/43/78/563704378.db2.gz GNVPFZITLQAOFV-MRXNPFEDSA-N 0 0 339.489 5.177 50 0 EKAARN O=C1c2ccccc2-c2cc(NCc3ccccc3)nc3cccc1c32 ZINC000013625375 563704293 /nfs/dbraw/zinc/70/42/93/563704293.db2.gz GGHXTDPWQLKLFD-UHFFFAOYSA-N 0 0 336.394 5.058 50 0 EKAARN S=c1oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000013628379 563704725 /nfs/dbraw/zinc/70/47/25/563704725.db2.gz KWLVRSVWECHIIZ-UHFFFAOYSA-N 0 0 326.461 5.679 50 0 EKAARN O=C1C[C@H](c2cccs2)Cc2nccc(-c3ccc(Cl)cc3)c21 ZINC000013628469 563704815 /nfs/dbraw/zinc/70/48/15/563704815.db2.gz SPXAYKQQLXEBBB-CYBMUJFWSA-N 0 0 339.847 5.376 50 0 EKAARN O=C1C[C@@H](c2cccs2)Cc2nccc(-c3ccc(Cl)cc3)c21 ZINC000013628472 563704780 /nfs/dbraw/zinc/70/47/80/563704780.db2.gz SPXAYKQQLXEBBB-ZDUSSCGKSA-N 0 0 339.847 5.376 50 0 EKAARN Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)n1 ZINC000013628517 563704802 /nfs/dbraw/zinc/70/48/02/563704802.db2.gz BMZVYTIYAUGBRR-IBGZPJMESA-N 0 0 333.460 5.116 50 0 EKAARN Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)n1 ZINC000013628519 211593959 /nfs/dbraw/zinc/59/39/59/211593959.db2.gz BMZVYTIYAUGBRR-LJQANCHMSA-N 0 0 333.460 5.116 50 0 EKAARN COc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000013633718 563705099 /nfs/dbraw/zinc/70/50/99/563705099.db2.gz KKQJHHJKFWMYKZ-UHFFFAOYSA-N 0 0 327.387 5.049 50 0 EKAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1Cl ZINC000013636138 563705666 /nfs/dbraw/zinc/70/56/66/563705666.db2.gz OIEWRTLYNXMRHK-AWEZNQCLSA-N 0 0 344.911 5.338 50 0 EKAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccccc1Cl ZINC000013636141 201905379 /nfs/dbraw/zinc/90/53/79/201905379.db2.gz OIEWRTLYNXMRHK-CQSZACIVSA-N 0 0 344.911 5.338 50 0 EKAARN c1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000013646829 563706716 /nfs/dbraw/zinc/70/67/16/563706716.db2.gz KACQQKWMCJWUHB-FCQUAONHSA-N 0 0 337.382 5.209 50 0 EKAARN Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2C)n1 ZINC000013653625 563707050 /nfs/dbraw/zinc/70/70/50/563707050.db2.gz WYTHFFBIBVJFSS-MRXNPFEDSA-N 0 0 339.489 5.177 50 0 EKAARN Cc1[nH]c2ccc(Br)cc2c(=S)c1C/C=C/Cl ZINC000013655924 563707450 /nfs/dbraw/zinc/70/74/50/563707450.db2.gz BHHIXHMAWNNRDI-QHHAFSJGSA-N 0 0 328.662 5.263 50 0 EKAARN COc1ccccc1NC(=S)NC1CCCCCCCCCCC1 ZINC000013658934 563707459 /nfs/dbraw/zinc/70/74/59/563707459.db2.gz UYNJYOJWODRFMD-UHFFFAOYSA-N 0 0 348.556 5.655 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc(Cl)c1 ZINC000013659034 563707558 /nfs/dbraw/zinc/70/75/58/563707558.db2.gz BUQFNYKKLNHFCN-UHFFFAOYSA-N 0 0 346.927 6.396 50 0 EKAARN Cc1cc(C)cc(NC(=S)Nc2ccc(Br)cc2C)c1 ZINC000013659080 211601405 /nfs/dbraw/zinc/60/14/05/211601405.db2.gz JASDKOAAVUYRIJ-UHFFFAOYSA-N 0 0 349.297 5.183 50 0 EKAARN O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000013673000 563709704 /nfs/dbraw/zinc/70/97/04/563709704.db2.gz NYQHRJSQBHXRFN-UHFFFAOYSA-N 0 0 342.653 5.009 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 ZINC000013674228 563709763 /nfs/dbraw/zinc/70/97/63/563709763.db2.gz GLGAUBPACOBAMV-DOFZRALJSA-N 0 0 343.555 6.411 50 0 in-vitro EKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000013687074 211611088 /nfs/dbraw/zinc/61/10/88/211611088.db2.gz RFEDXXXCQPBGKK-UHFFFAOYSA-N 0 0 347.443 5.161 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)o1 ZINC000013689480 563711708 /nfs/dbraw/zinc/71/17/08/563711708.db2.gz NUZCYXGMCPEHFY-DENIHFKCSA-N 0 0 344.414 5.139 50 0 EKAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000013689759 135702431 /nfs/dbraw/zinc/70/24/31/135702431.db2.gz LTXWAEMTDQYPDG-OAQYLSRUSA-N 0 0 345.833 5.353 50 0 EKAARN CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 ZINC000013689761 563711698 /nfs/dbraw/zinc/71/16/98/563711698.db2.gz LTXWAEMTDQYPDG-NRFANRHFSA-N 0 0 345.833 5.353 50 0 EKAARN C[C@@H]1CC2(CCCC2)N(C(=O)Nc2ccccc2)Cc2ccccc21 ZINC000013689970 563712273 /nfs/dbraw/zinc/71/22/73/563712273.db2.gz DOCHDYAQJOWSKH-QGZVFWFLSA-N 0 0 334.463 5.541 50 0 EKAARN C[C@H]1CC2(CCCC2)N(C(=O)Nc2ccccc2)Cc2ccccc21 ZINC000013689971 563712202 /nfs/dbraw/zinc/71/22/02/563712202.db2.gz DOCHDYAQJOWSKH-KRWDZBQOSA-N 0 0 334.463 5.541 50 0 EKAARN CCCCCCn1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000013711718 563715258 /nfs/dbraw/zinc/71/52/58/563715258.db2.gz PLBUJRWGVGWGRA-UHFFFAOYSA-N 0 0 346.478 5.710 50 0 EKAARN CCCCCn1c2ccccc2nc1NCc1c[nH]c2ccccc12 ZINC000013712876 563715325 /nfs/dbraw/zinc/71/53/25/563715325.db2.gz DFCQUQCLNNINEJ-UHFFFAOYSA-N 0 0 332.451 5.320 50 0 EKAARN CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000013714166 563715279 /nfs/dbraw/zinc/71/52/79/563715279.db2.gz WUEPRPUYMIZVFA-OAQYLSRUSA-N 0 0 345.833 5.353 50 0 EKAARN CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000013714169 563715211 /nfs/dbraw/zinc/71/52/11/563715211.db2.gz WUEPRPUYMIZVFA-NRFANRHFSA-N 0 0 345.833 5.353 50 0 EKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 ZINC000013716927 564134177 /nfs/dbraw/zinc/13/41/77/564134177.db2.gz BRBAMLHXSANABP-UHFFFAOYSA-N 0 0 337.507 5.673 50 0 EKAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000013719770 563716063 /nfs/dbraw/zinc/71/60/63/563716063.db2.gz WZPCMWNFPRQSLH-UHFFFAOYSA-N 0 0 347.443 5.161 50 0 EKAARN COc1ccccc1CNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013720673 563716418 /nfs/dbraw/zinc/71/64/18/563716418.db2.gz URBAYJQNLSXEQU-UHFFFAOYSA-N 0 0 341.838 5.207 50 0 EKAARN COc1ccccc1CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013720682 563716460 /nfs/dbraw/zinc/71/64/60/563716460.db2.gz ULWZXFQBTMJYJC-UHFFFAOYSA-N 0 0 345.801 5.038 50 0 EKAARN COc1ccccc1CNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013720780 563716399 /nfs/dbraw/zinc/71/63/99/563716399.db2.gz VHJNFWUJQHLBAW-UHFFFAOYSA-N 0 0 341.838 5.207 50 0 EKAARN COc1ccc(-c2cc(=S)oc3c(C)c4occ(C)c4cc23)cc1 ZINC000013721184 211620021 /nfs/dbraw/zinc/62/00/21/211620021.db2.gz ZGPODDICIBCWSC-UHFFFAOYSA-N 0 0 336.412 6.201 50 0 EKAARN Fc1ccc(-c2coc3cc4oc(=S)c5c(c4cc32)CCC5)cc1 ZINC000013732980 563720013 /nfs/dbraw/zinc/72/00/13/563720013.db2.gz ISKHLTYMPBZLJI-UHFFFAOYSA-N 0 0 336.387 6.203 50 0 EKAARN Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013736894 564111906 /nfs/dbraw/zinc/11/19/06/564111906.db2.gz OPBYQUCWXSDPKQ-UHFFFAOYSA-N 0 0 329.227 5.250 50 0 EKAARN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000013736896 201913495 /nfs/dbraw/zinc/91/34/95/201913495.db2.gz WEURIMAAUBVTJA-UHFFFAOYSA-N 0 0 345.682 5.764 50 0 EKAARN Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000013736898 564111907 /nfs/dbraw/zinc/11/19/07/564111907.db2.gz POSLMDBRQLKWBK-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1F ZINC000013736902 564111939 /nfs/dbraw/zinc/11/19/39/564111939.db2.gz XDJJPRVSJHAFHV-UHFFFAOYSA-N 0 0 329.227 5.250 50 0 EKAARN Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl ZINC000013736904 564111933 /nfs/dbraw/zinc/11/19/33/564111933.db2.gz JTQKOPXSYCYUCO-UHFFFAOYSA-N 0 0 345.682 5.764 50 0 EKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013736908 211627555 /nfs/dbraw/zinc/62/75/55/211627555.db2.gz LTYVEYZPVXRBBY-UHFFFAOYSA-N 0 0 345.682 5.764 50 0 EKAARN Cc1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000013736912 564111917 /nfs/dbraw/zinc/11/19/17/564111917.db2.gz XEOCDHPZRLCSDO-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1F ZINC000013736924 211627059 /nfs/dbraw/zinc/62/70/59/211627059.db2.gz KMISUPMWXXRIKL-UHFFFAOYSA-N 0 0 329.227 5.250 50 0 EKAARN Fc1ccc(F)c(NC(=S)Nc2cc(Cl)ccc2Cl)c1 ZINC000013736928 564111932 /nfs/dbraw/zinc/11/19/32/564111932.db2.gz CUDMLJWYZLWVHW-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1cccc(Cl)c1 ZINC000013736936 564111931 /nfs/dbraw/zinc/11/19/31/564111931.db2.gz ZLKQZHKZRDCNIS-UHFFFAOYSA-N 0 0 348.899 5.455 50 0 EKAARN Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000013736940 564111948 /nfs/dbraw/zinc/11/19/48/564111948.db2.gz WACCRGSCWXHEOR-UHFFFAOYSA-N 0 0 325.264 5.419 50 0 EKAARN Cc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1 ZINC000013739479 211627062 /nfs/dbraw/zinc/62/70/62/211627062.db2.gz NTXDYVJPWOHEKP-UHFFFAOYSA-N 0 0 342.467 6.529 50 0 EKAARN Cc1cccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)n1 ZINC000013739594 211627352 /nfs/dbraw/zinc/62/73/52/211627352.db2.gz RVUUZCSUTALCBW-JZJYNLBNSA-N 0 0 339.489 5.073 50 0 EKAARN Cc1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)sc1C ZINC000013744441 563720201 /nfs/dbraw/zinc/72/02/01/563720201.db2.gz IXEKUMGSQFPVRJ-UHFFFAOYSA-N 0 0 340.832 5.019 50 0 EKAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 ZINC000013744533 564111959 /nfs/dbraw/zinc/11/19/59/564111959.db2.gz PFSQVNSXHIRVJH-SSDOTTSWSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 ZINC000013744535 211629507 /nfs/dbraw/zinc/62/95/07/211629507.db2.gz PFSQVNSXHIRVJH-ZETCQYMHSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000013744537 564111966 /nfs/dbraw/zinc/11/19/66/564111966.db2.gz OHOYCWCJZWSNBV-SSDOTTSWSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000013744539 564111954 /nfs/dbraw/zinc/11/19/54/564111954.db2.gz OHOYCWCJZWSNBV-ZETCQYMHSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000013744541 201913723 /nfs/dbraw/zinc/91/37/23/201913723.db2.gz JLGLIDIBKFIPLA-SSDOTTSWSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000013744543 564111942 /nfs/dbraw/zinc/11/19/42/564111942.db2.gz JLGLIDIBKFIPLA-ZETCQYMHSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000013744545 564111946 /nfs/dbraw/zinc/11/19/46/564111946.db2.gz MKSZIGCULMHXTJ-SSDOTTSWSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000013744547 564111967 /nfs/dbraw/zinc/11/19/67/564111967.db2.gz MKSZIGCULMHXTJ-ZETCQYMHSA-N 0 0 349.670 5.591 50 0 EKAARN C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 ZINC000013744549 564111956 /nfs/dbraw/zinc/11/19/56/564111956.db2.gz CSNVHJUQPFCXFU-SSDOTTSWSA-N 0 0 333.215 5.077 50 0 EKAARN C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 ZINC000013744551 564111950 /nfs/dbraw/zinc/11/19/50/564111950.db2.gz CSNVHJUQPFCXFU-ZETCQYMHSA-N 0 0 333.215 5.077 50 0 EKAARN CCCCc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000013744557 564111955 /nfs/dbraw/zinc/11/19/55/564111955.db2.gz ALEKMEKUWXTUBF-LBPRGKRZSA-N 0 0 336.888 5.627 50 0 EKAARN CCCCc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000013744559 564111965 /nfs/dbraw/zinc/11/19/65/564111965.db2.gz ALEKMEKUWXTUBF-GFCCVEGCSA-N 0 0 336.888 5.627 50 0 EKAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c(Cl)c1 ZINC000013745052 564111968 /nfs/dbraw/zinc/11/19/68/564111968.db2.gz GKLXFWWUKSCQGL-SECBINFHSA-N 0 0 329.252 5.246 50 0 EKAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c(Cl)c1 ZINC000013745054 211629812 /nfs/dbraw/zinc/62/98/12/211629812.db2.gz GKLXFWWUKSCQGL-VIFPVBQESA-N 0 0 329.252 5.246 50 0 EKAARN CSc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000013745068 564111969 /nfs/dbraw/zinc/11/19/69/564111969.db2.gz YILXRAOTKNDKGG-VIFPVBQESA-N 0 0 326.874 5.006 50 0 EKAARN CSc1cccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000013745070 564111971 /nfs/dbraw/zinc/11/19/71/564111971.db2.gz YILXRAOTKNDKGG-SECBINFHSA-N 0 0 326.874 5.006 50 0 EKAARN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000013745091 564111953 /nfs/dbraw/zinc/11/19/53/564111953.db2.gz MHBCFTQDFTXAGT-MRVPVSSYSA-N 0 0 348.777 5.303 50 0 EKAARN C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000013745093 564111958 /nfs/dbraw/zinc/11/19/58/564111958.db2.gz MHBCFTQDFTXAGT-QMMMGPOBSA-N 0 0 348.777 5.303 50 0 EKAARN C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000013745095 564020661 /nfs/dbraw/zinc/02/06/61/564020661.db2.gz DYFVQJPYGUOWHV-MRVPVSSYSA-N 0 0 348.777 5.303 50 0 EKAARN C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 ZINC000013745097 211630568 /nfs/dbraw/zinc/63/05/68/211630568.db2.gz DYFVQJPYGUOWHV-QMMMGPOBSA-N 0 0 348.777 5.303 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013745114 564111972 /nfs/dbraw/zinc/11/19/72/564111972.db2.gz UZUUBXUGCSHRMX-SECBINFHSA-N 0 0 329.252 5.246 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000013745116 201912770 /nfs/dbraw/zinc/91/27/70/201912770.db2.gz UZUUBXUGCSHRMX-VIFPVBQESA-N 0 0 329.252 5.246 50 0 EKAARN Cc1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1Cl ZINC000013745146 211629694 /nfs/dbraw/zinc/62/96/94/211629694.db2.gz WLUPEZYKTFBTFQ-SECBINFHSA-N 0 0 329.252 5.246 50 0 EKAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1Cl ZINC000013745148 564111951 /nfs/dbraw/zinc/11/19/51/564111951.db2.gz WLUPEZYKTFBTFQ-VIFPVBQESA-N 0 0 329.252 5.246 50 0 EKAARN CC[C@@H](NC(=O)Nc1ccccc1Br)c1ccc(C)cc1 ZINC000013745342 211629814 /nfs/dbraw/zinc/62/98/14/211629814.db2.gz ZGPNIWCKZIVYIM-OAHLLOKOSA-N 0 0 347.256 5.030 50 0 EKAARN CC[C@H](NC(=O)Nc1ccccc1Br)c1ccc(C)cc1 ZINC000013745344 564111962 /nfs/dbraw/zinc/11/19/62/564111962.db2.gz ZGPNIWCKZIVYIM-HNNXBMFYSA-N 0 0 347.256 5.030 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000013745487 564112003 /nfs/dbraw/zinc/11/20/03/564112003.db2.gz ZVRSUKBBBGBTIS-SECBINFHSA-N 0 0 329.252 5.246 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000013745489 564112004 /nfs/dbraw/zinc/11/20/04/564112004.db2.gz ZVRSUKBBBGBTIS-VIFPVBQESA-N 0 0 329.252 5.246 50 0 EKAARN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cn3)sc2c1 ZINC000013746883 211631733 /nfs/dbraw/zinc/63/17/33/211631733.db2.gz KSUSTZDSZZQYOK-UHFFFAOYSA-N 0 0 337.231 5.164 50 0 EKAARN Cc1scc(C(=O)Nc2ccc(Cl)cn2)c1-c1ccccc1 ZINC000013746889 563720828 /nfs/dbraw/zinc/72/08/28/563720828.db2.gz IZBIZEUPEABVOB-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN CCCOC(=O)c1c(N)scc1-c1ccc(C2CCCCC2)cc1 ZINC000013746956 563720861 /nfs/dbraw/zinc/72/08/61/563720861.db2.gz KKMMSYVFCJXKBO-UHFFFAOYSA-N 0 0 343.492 5.612 50 0 EKAARN CCCCN(CCCC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000013751239 563720853 /nfs/dbraw/zinc/72/08/53/563720853.db2.gz CAAOAVSUOXGGOE-UHFFFAOYSA-N 0 0 347.506 6.150 50 0 EKAARN CCCc1ccc([C@@H](C)NC(=S)Nc2ccc(OCC)cc2)cc1 ZINC000013751361 564112037 /nfs/dbraw/zinc/11/20/37/564112037.db2.gz PBZKAHSJJGTQMJ-OAHLLOKOSA-N 0 0 342.508 5.085 50 0 EKAARN CCCc1ccc([C@H](C)NC(=S)Nc2ccc(OCC)cc2)cc1 ZINC000013751362 564112036 /nfs/dbraw/zinc/11/20/36/564112036.db2.gz PBZKAHSJJGTQMJ-HNNXBMFYSA-N 0 0 342.508 5.085 50 0 EKAARN CCCc1ccc([C@@H](C)NC(=S)Nc2ccccc2OCC)cc1 ZINC000013751363 564112025 /nfs/dbraw/zinc/11/20/25/564112025.db2.gz WSICBTBGZISILE-OAHLLOKOSA-N 0 0 342.508 5.085 50 0 EKAARN CCCc1ccc([C@H](C)NC(=S)Nc2ccccc2OCC)cc1 ZINC000013751364 564112009 /nfs/dbraw/zinc/11/20/09/564112009.db2.gz WSICBTBGZISILE-HNNXBMFYSA-N 0 0 342.508 5.085 50 0 EKAARN CC[C@@H](C)c1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751799 564112018 /nfs/dbraw/zinc/11/20/18/564112018.db2.gz MLLCULQTRUENTM-CABCVRRESA-N 0 0 344.499 5.065 50 0 EKAARN CC[C@H](C)c1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751800 211631639 /nfs/dbraw/zinc/63/16/39/211631639.db2.gz MLLCULQTRUENTM-GJZGRUSLSA-N 0 0 344.499 5.065 50 0 EKAARN CCCCC1(CCCC)Nc2ccccc2-c2nc3ccccc3n21 ZINC000013759372 211632796 /nfs/dbraw/zinc/63/27/96/211632796.db2.gz JWNDFLRZPJFCRH-UHFFFAOYSA-N 0 0 333.479 6.162 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC ZINC000013761100 564112008 /nfs/dbraw/zinc/11/20/08/564112008.db2.gz DCUXLBLUWUQKFU-GKFVBPDJSA-N 0 0 331.544 6.268 50 0 EKAARN O=C1[C@H](C2(Cl)CCCCC2)CCC[C@@H]1C1(Cl)CCCCC1 ZINC000013764240 563721487 /nfs/dbraw/zinc/72/14/87/563721487.db2.gz KOEQHYLZXJFOST-GASCZTMLSA-N 0 0 331.327 5.855 50 0 EKAARN c1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34OCCN24)cc1 ZINC000013768676 563722268 /nfs/dbraw/zinc/72/22/68/563722268.db2.gz IIWHIPPFNCKTOT-FUDKSRODSA-N 0 0 331.459 5.044 50 0 EKAARN C(=C1\CCc2cc3c(nc21)/C(=C/c1ccccc1)CC3)\c1ccccc1 ZINC000013774495 563722565 /nfs/dbraw/zinc/72/25/65/563722565.db2.gz XYGJLQRINNJINZ-YJKAXRSRSA-N 0 0 335.450 6.055 50 0 EKAARN COc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774756 211636619 /nfs/dbraw/zinc/63/66/19/211636619.db2.gz ZMRXPVZVZWETCK-AWEZNQCLSA-N 0 0 342.508 5.040 50 0 EKAARN COc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000013774757 564112026 /nfs/dbraw/zinc/11/20/26/564112026.db2.gz ZMRXPVZVZWETCK-CQSZACIVSA-N 0 0 342.508 5.040 50 0 EKAARN CCc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774764 564112034 /nfs/dbraw/zinc/11/20/34/564112034.db2.gz SHQHWMMNJLSMOS-HNNXBMFYSA-N 0 0 340.536 5.594 50 0 EKAARN CCc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013774766 564112040 /nfs/dbraw/zinc/11/20/40/564112040.db2.gz SHQHWMMNJLSMOS-OAHLLOKOSA-N 0 0 340.536 5.594 50 0 EKAARN CCc1ccccc1NC(=S)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013774768 564112062 /nfs/dbraw/zinc/11/20/62/564112062.db2.gz PRZRXXVDRVZRDY-HNNXBMFYSA-N 0 0 340.536 5.594 50 0 EKAARN CCc1ccccc1NC(=S)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013774770 211636890 /nfs/dbraw/zinc/63/68/90/211636890.db2.gz PRZRXXVDRVZRDY-OAHLLOKOSA-N 0 0 340.536 5.594 50 0 EKAARN CCO/C(C)=C1/c2ccccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000013776975 211636239 /nfs/dbraw/zinc/63/62/39/211636239.db2.gz ZHSFUUGJHNEJEF-WJDWOHSUSA-N 0 0 348.229 5.439 50 0 EKAARN CCCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000013777697 563722964 /nfs/dbraw/zinc/72/29/64/563722964.db2.gz QZIXMFSJPVNMSS-VZCXRCSSSA-N 0 0 342.895 5.903 50 0 EKAARN CC(C)C[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013778061 211636664 /nfs/dbraw/zinc/63/66/64/211636664.db2.gz MUSFHKHRDRKTKH-QUCCMNQESA-N 0 0 340.854 5.256 50 0 EKAARN CC(C)C[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000013778064 563722978 /nfs/dbraw/zinc/72/29/78/563722978.db2.gz MUSFHKHRDRKTKH-UYAOXDASSA-N 0 0 340.854 5.256 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF ZINC000013782506 201915472 /nfs/dbraw/zinc/91/54/72/201915472.db2.gz DOGHEWWVBBVYEY-DOFZRALJSA-N 0 0 349.534 6.218 50 0 in-vitro EKAARN CCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 ZINC000013785790 211639429 /nfs/dbraw/zinc/63/94/29/211639429.db2.gz UUQCPIQTNIXNGV-MRCUWXFGSA-N 0 0 338.476 5.258 50 0 EKAARN CCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 ZINC000013786151 563723323 /nfs/dbraw/zinc/72/33/23/563723323.db2.gz RKZSQNOKCHOSKB-VZCXRCSSSA-N 0 0 326.440 5.388 50 0 EKAARN S=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013786478 563723285 /nfs/dbraw/zinc/72/32/85/563723285.db2.gz LENURWBUNABTIV-UHFFFAOYSA-N 0 0 331.655 5.456 50 0 EKAARN CCc1cccc(CC)c1NC(=S)Nc1cccc2ccccc21 ZINC000013789055 564112058 /nfs/dbraw/zinc/11/20/58/564112058.db2.gz RLQYCVZYSSRVJV-UHFFFAOYSA-N 0 0 334.488 5.774 50 0 EKAARN CCOc1ccccc1NC(=S)Nc1c(CC)cccc1CC ZINC000013789061 564112063 /nfs/dbraw/zinc/11/20/63/564112063.db2.gz RNQINUJLCJQLBF-UHFFFAOYSA-N 0 0 328.481 5.019 50 0 EKAARN COc1ccc(C)cc1NC(=S)Nc1ccccc1C(C)(C)C ZINC000013794003 211638746 /nfs/dbraw/zinc/63/87/46/211638746.db2.gz YSSRKHFYGFEGJO-UHFFFAOYSA-N 0 0 328.481 5.110 50 0 EKAARN CCOc1ccccc1NC(=S)Nc1ccccc1C(C)(C)C ZINC000013794027 564112059 /nfs/dbraw/zinc/11/20/59/564112059.db2.gz BAYZGYFQNNMDBO-UHFFFAOYSA-N 0 0 328.481 5.192 50 0 EKAARN Cc1ccc(C)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000013797726 564112066 /nfs/dbraw/zinc/11/20/66/564112066.db2.gz LPVJBIZTUBVCAC-UHFFFAOYSA-N 0 0 348.471 5.905 50 0 EKAARN C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000013797732 211640753 /nfs/dbraw/zinc/64/07/53/211640753.db2.gz YEDSNTYJEAXTJT-MRXNPFEDSA-N 0 0 348.471 5.527 50 0 EKAARN C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000013797735 563934903 /nfs/dbraw/zinc/93/49/03/563934903.db2.gz YEDSNTYJEAXTJT-INIZCTEOSA-N 0 0 348.471 5.527 50 0 EKAARN CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000013799002 563723639 /nfs/dbraw/zinc/72/36/39/563723639.db2.gz ZLBQHHFRUNJMBM-ZZEZOPTASA-N 0 0 328.868 5.512 50 0 EKAARN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000013801175 563723698 /nfs/dbraw/zinc/72/36/98/563723698.db2.gz JAOOPBPXVXTCKA-FCQUAONHSA-N 0 0 342.467 5.747 50 0 EKAARN CCCCCn1c2ccccc2nc1Cc1cccc2ccccc21 ZINC000013810012 211644241 /nfs/dbraw/zinc/64/42/41/211644241.db2.gz PMKCZDKGFUURFW-UHFFFAOYSA-N 0 0 328.459 5.971 50 0 EKAARN c1ccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 ZINC000013810033 563724138 /nfs/dbraw/zinc/72/41/38/563724138.db2.gz RVJJAGBHBNONPD-UHFFFAOYSA-N 0 0 334.422 5.905 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000013810581 564093105 /nfs/dbraw/zinc/09/31/05/564093105.db2.gz JSGCDAKRIPGQSF-FRVJLOGJSA-N 0 0 348.273 5.220 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000013810583 564093096 /nfs/dbraw/zinc/09/30/96/564093096.db2.gz JSGCDAKRIPGQSF-FVEFGIFQSA-N 0 0 348.273 5.220 50 0 EKAARN CC(C)=CCC/C(C)=C\COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000013811687 563934976 /nfs/dbraw/zinc/93/49/76/563934976.db2.gz XYLYAWLNQVWPAO-ZSOIEALJSA-N 0 0 346.854 5.826 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000013812438 211643941 /nfs/dbraw/zinc/64/39/41/211643941.db2.gz CPYAKGFVSJKRHZ-UHFFFAOYSA-N 0 0 326.509 6.051 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=S)Nc1cccc2ccccc21 ZINC000013812469 564112082 /nfs/dbraw/zinc/11/20/82/564112082.db2.gz JQJKDEDXKGDRQN-UHFFFAOYSA-N 0 0 334.488 6.081 50 0 EKAARN Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 ZINC000013820586 563725190 /nfs/dbraw/zinc/72/51/90/563725190.db2.gz CNLQVYJBHRZIJT-UHFFFAOYSA-N 0 0 332.472 5.071 50 0 EKAARN Cc1ccc2c(c1)-c1nc(-c3ccccc3)cc(-c3ccccc3)c1CO2 ZINC000013828408 563935181 /nfs/dbraw/zinc/93/51/81/563935181.db2.gz BOYOQOLRYJRKFS-UHFFFAOYSA-N 0 0 349.433 6.283 50 0 EKAARN Cc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013841049 564112108 /nfs/dbraw/zinc/11/21/08/564112108.db2.gz ALSYFPLUNYXNLX-UHFFFAOYSA-N 0 0 326.509 6.051 50 0 EKAARN Cc1ccccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000013841050 201918115 /nfs/dbraw/zinc/91/81/15/201918115.db2.gz YWLKLBFXWRNWNI-UHFFFAOYSA-N 0 0 326.509 6.051 50 0 EKAARN CCc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013841060 563935210 /nfs/dbraw/zinc/93/52/10/563935210.db2.gz YNCRYTZDIXAVMR-UHFFFAOYSA-N 0 0 340.536 6.305 50 0 EKAARN CCc1ccccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000013841061 211650102 /nfs/dbraw/zinc/65/01/02/211650102.db2.gz NWXRUDSPPKASEC-UHFFFAOYSA-N 0 0 340.536 6.305 50 0 EKAARN Cc1cccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1C ZINC000013841069 211650502 /nfs/dbraw/zinc/65/05/02/211650502.db2.gz OIRLAWYOCPXNCE-UHFFFAOYSA-N 0 0 340.536 6.359 50 0 EKAARN Cc1cc(C)cc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000013841071 211649796 /nfs/dbraw/zinc/64/97/96/211649796.db2.gz NRYZFJDPQFPECV-UHFFFAOYSA-N 0 0 340.536 6.359 50 0 EKAARN Cc1ccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c(C)c1 ZINC000013841072 564112105 /nfs/dbraw/zinc/11/21/05/564112105.db2.gz XJJAGTKWCPCGPK-UHFFFAOYSA-N 0 0 340.536 6.359 50 0 EKAARN Cc1ccc(C)c(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000013841073 564112107 /nfs/dbraw/zinc/11/21/07/564112107.db2.gz OEEKTCWEJCIDRZ-UHFFFAOYSA-N 0 0 340.536 6.359 50 0 EKAARN Cc1ccc(CNC(=S)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013841096 564112097 /nfs/dbraw/zinc/11/20/97/564112097.db2.gz DOBZVNPRYWIIHW-UHFFFAOYSA-N 0 0 340.536 5.728 50 0 EKAARN CCC(=O)Nc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000013843298 563726057 /nfs/dbraw/zinc/72/60/57/563726057.db2.gz AJBJCCRFERCWAP-UHFFFAOYSA-N 0 0 349.434 5.050 50 0 EKAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013847328 563726514 /nfs/dbraw/zinc/72/65/14/563726514.db2.gz UYABXFOSRLWZFQ-HXUWFJFHSA-N 0 0 349.405 5.289 50 0 EKAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1 ZINC000013847330 563726399 /nfs/dbraw/zinc/72/63/99/563726399.db2.gz UYABXFOSRLWZFQ-FQEVSTJZSA-N 0 0 349.405 5.289 50 0 EKAARN CCc1ccccc1NC(=S)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000013931842 564112127 /nfs/dbraw/zinc/11/21/27/564112127.db2.gz VCMYNJYSDVZQBI-HNNXBMFYSA-N 0 0 326.509 5.420 50 0 EKAARN CCc1ccccc1NC(=S)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000013931843 563963211 /nfs/dbraw/zinc/96/32/11/563963211.db2.gz VCMYNJYSDVZQBI-OAHLLOKOSA-N 0 0 326.509 5.420 50 0 EKAARN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000013931844 563731004 /nfs/dbraw/zinc/73/10/04/563731004.db2.gz PPWKMHPXDSKSPD-INIZCTEOSA-N 0 0 340.536 5.981 50 0 EKAARN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000013931845 201921270 /nfs/dbraw/zinc/92/12/70/201921270.db2.gz PPWKMHPXDSKSPD-MRXNPFEDSA-N 0 0 340.536 5.981 50 0 EKAARN CC(C)c1ccc([C@@H](C)NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013931886 563731032 /nfs/dbraw/zinc/73/10/32/563731032.db2.gz JAGBNXHVOIWUMJ-MRXNPFEDSA-N 0 0 348.515 6.011 50 0 EKAARN CC(C)c1ccc([C@H](C)NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013931887 211657366 /nfs/dbraw/zinc/65/73/66/211657366.db2.gz JAGBNXHVOIWUMJ-INIZCTEOSA-N 0 0 348.515 6.011 50 0 EKAARN CCCCc1ccc(NC(=S)Nc2nc3c(s2)CCCC3)cc1 ZINC000013933885 563731347 /nfs/dbraw/zinc/73/13/47/563731347.db2.gz BTFXHTWWIRNWJH-UHFFFAOYSA-N 0 0 345.537 5.173 50 0 EKAARN Cc1cccc(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 ZINC000013935946 563731389 /nfs/dbraw/zinc/73/13/89/563731389.db2.gz LTVUEIAHSXSJQW-UHFFFAOYSA-N 0 0 332.472 5.399 50 0 EKAARN Cc1ccccc1NC(=S)N(Cc1ccccc1)c1ccccc1 ZINC000013935947 563991949 /nfs/dbraw/zinc/99/19/49/563991949.db2.gz TYLHLLBTUPOVMG-UHFFFAOYSA-N 0 0 332.472 5.399 50 0 EKAARN Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)cc1C ZINC000013935967 563731283 /nfs/dbraw/zinc/73/12/83/563731283.db2.gz SPWRFOONKGCPAM-UHFFFAOYSA-N 0 0 346.499 5.707 50 0 EKAARN Cc1cc(C)cc(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 ZINC000013935968 211657671 /nfs/dbraw/zinc/65/76/71/211657671.db2.gz HEMLFKJUIWPCAD-UHFFFAOYSA-N 0 0 346.499 5.707 50 0 EKAARN Cc1ccc(NC(=S)N(Cc2ccccc2)c2ccccc2)c(C)c1 ZINC000013935969 563731365 /nfs/dbraw/zinc/73/13/65/563731365.db2.gz BTBPDWUOPHKXRH-UHFFFAOYSA-N 0 0 346.499 5.707 50 0 EKAARN Cc1ccc(C)c(NC(=S)N(Cc2ccccc2)c2ccccc2)c1 ZINC000013935970 564112121 /nfs/dbraw/zinc/11/21/21/564112121.db2.gz SLZDVUIOHZQIEE-UHFFFAOYSA-N 0 0 346.499 5.707 50 0 EKAARN O=C1C2=C(CCCC2)[C@H](SCc2ccccc2)N1Cc1ccccc1 ZINC000013940105 564137523 /nfs/dbraw/zinc/13/75/23/564137523.db2.gz QXFGACCNKVWSDG-QFIPXVFZSA-N 0 0 349.499 5.159 50 0 EKAARN O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1C1CCCCC1 ZINC000013942298 201920677 /nfs/dbraw/zinc/92/06/77/201920677.db2.gz QBFCXWCZTRKKOV-OAQYLSRUSA-N 0 0 330.431 5.046 50 0 EKAARN O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1C1CCCCC1 ZINC000013942300 563731763 /nfs/dbraw/zinc/73/17/63/563731763.db2.gz QBFCXWCZTRKKOV-NRFANRHFSA-N 0 0 330.431 5.046 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000013942314 563731753 /nfs/dbraw/zinc/73/17/53/563731753.db2.gz MQNAHZKKUOPUOM-OAQYLSRUSA-N 0 0 332.447 5.068 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000013942315 563731777 /nfs/dbraw/zinc/73/17/77/563731777.db2.gz MQNAHZKKUOPUOM-NRFANRHFSA-N 0 0 332.447 5.068 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1C1CCCCC1 ZINC000013942317 563731789 /nfs/dbraw/zinc/73/17/89/563731789.db2.gz MCVHLAMKILAFGN-JOCHJYFZSA-N 0 0 344.458 5.354 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1C1CCCCC1 ZINC000013942319 563731720 /nfs/dbraw/zinc/73/17/20/563731720.db2.gz MCVHLAMKILAFGN-QFIPXVFZSA-N 0 0 344.458 5.354 50 0 EKAARN Cc1c([C@H]2c3ccccc3C(=O)N2CCC(C)C)c2ccccc2n1C ZINC000013942391 563731979 /nfs/dbraw/zinc/73/19/79/563731979.db2.gz SGGYBOWIHCQUST-JOCHJYFZSA-N 0 0 346.474 5.078 50 0 EKAARN Cc1c([C@@H]2c3ccccc3C(=O)N2CCC(C)C)c2ccccc2n1C ZINC000013942393 563732006 /nfs/dbraw/zinc/73/20/06/563732006.db2.gz SGGYBOWIHCQUST-QFIPXVFZSA-N 0 0 346.474 5.078 50 0 EKAARN c1sc(Nc2ccccn2)nc1-c1ccc(C2CCCCC2)cc1 ZINC000013943601 563732008 /nfs/dbraw/zinc/73/20/08/563732008.db2.gz UVXPUWVBUGLKOG-UHFFFAOYSA-N 0 0 335.476 5.996 50 0 EKAARN COc1cccc(NC(=O)c2ccccc2SCCC(C)C)c1 ZINC000013944171 563732021 /nfs/dbraw/zinc/73/20/21/563732021.db2.gz MSSMNMNUWWEBSX-UHFFFAOYSA-N 0 0 329.465 5.086 50 0 EKAARN Cc1ccc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2n1 ZINC000013945858 563732447 /nfs/dbraw/zinc/73/24/47/563732447.db2.gz WCAIZFIVFKDNFE-UHFFFAOYSA-N 0 0 331.202 5.102 50 0 EKAARN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000013946208 563732499 /nfs/dbraw/zinc/73/24/99/563732499.db2.gz IHJAGEWGAWSCFP-UHFFFAOYSA-N 0 0 338.410 5.463 50 0 EKAARN CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000013957761 211660136 /nfs/dbraw/zinc/66/01/36/211660136.db2.gz BBXUADNAOWUSOL-UHFFFAOYSA-N 0 0 349.217 5.358 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn(-c2ccccc2)c1-c1ccc(C)cc1 ZINC000013960499 563733119 /nfs/dbraw/zinc/73/31/19/563733119.db2.gz ICPVYUVZFCZAQA-UHFFFAOYSA-N 0 0 338.454 6.132 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000013961125 563733536 /nfs/dbraw/zinc/73/35/36/563733536.db2.gz QGQZBRHTGVOKMX-UHFFFAOYSA-N 0 0 345.393 5.153 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000013961127 563733599 /nfs/dbraw/zinc/73/35/99/563733599.db2.gz BRHNRNBWWHXERK-UHFFFAOYSA-N 0 0 347.384 5.534 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000013961147 563733520 /nfs/dbraw/zinc/73/35/20/563733520.db2.gz HCGGAKYANGQZOU-UHFFFAOYSA-N 0 0 339.386 5.287 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(Cl)cc1)cc2C(F)F ZINC000013961157 563733561 /nfs/dbraw/zinc/73/35/61/563733561.db2.gz RRKRGXHVFHPLRS-UHFFFAOYSA-N 0 0 349.812 5.798 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000013961164 201922927 /nfs/dbraw/zinc/92/29/27/201922927.db2.gz UIPBIUDJZLHMHT-UHFFFAOYSA-N 0 0 333.357 5.284 50 0 EKAARN CCc1cc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cs1 ZINC000014000473 563734942 /nfs/dbraw/zinc/73/49/42/563734942.db2.gz FQBNGAZRELMMAL-UHFFFAOYSA-N 0 0 349.912 5.052 50 0 EKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3onc(C)c32)cc1 ZINC000014017498 563735924 /nfs/dbraw/zinc/73/59/24/563735924.db2.gz ABCQBFLNOKQSSO-UHFFFAOYSA-N 0 0 330.387 5.182 50 0 EKAARN COc1ccc(-c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 ZINC000014017501 563736054 /nfs/dbraw/zinc/73/60/54/563736054.db2.gz AUYIEXCFYKQFPP-UHFFFAOYSA-N 0 0 343.430 5.355 50 0 EKAARN CCOC(=O)c1c(C)nc2c3ccccc3oc2c1-c1cccs1 ZINC000014017505 563736030 /nfs/dbraw/zinc/73/60/30/563736030.db2.gz ZYXYXKGYTUXJLV-UHFFFAOYSA-N 0 0 337.400 5.195 50 0 EKAARN Cc1cccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)c1C ZINC000014075598 563983158 /nfs/dbraw/zinc/98/31/58/563983158.db2.gz BODMUIYDKFISIA-UHFFFAOYSA-N 0 0 334.394 5.438 50 0 EKAARN Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc43)cc2)cc1 ZINC000014075600 211676920 /nfs/dbraw/zinc/67/69/20/211676920.db2.gz RKUYVIILWGRKFP-UHFFFAOYSA-N 0 0 342.398 5.521 50 0 EKAARN Cc1cc(C)c(NC(=O)CCc2ccc(-c3ccccc3)o2)c(C)c1 ZINC000014076104 563737741 /nfs/dbraw/zinc/73/77/41/563737741.db2.gz KGHHLJWMEFIHQC-UHFFFAOYSA-N 0 0 333.431 5.443 50 0 EKAARN Fc1ccccc1-c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)o1 ZINC000014077390 563983165 /nfs/dbraw/zinc/98/31/65/563983165.db2.gz FCGNIBPFUYJNID-JXMROGBWSA-N 0 0 339.753 6.051 50 0 EKAARN Cc1cc(C)c(-c2csc(NC(=O)C3CCCCC3)n2)cc1C ZINC000014077486 563983169 /nfs/dbraw/zinc/98/31/69/563983169.db2.gz MIZGGNBPPWDTRV-UHFFFAOYSA-N 0 0 328.481 5.254 50 0 EKAARN Fc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000014077714 563738091 /nfs/dbraw/zinc/73/80/91/563738091.db2.gz AKSDVXVJPYJCIJ-UHFFFAOYSA-N 0 0 341.695 5.185 50 0 EKAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc21 ZINC000014077738 135704463 /nfs/dbraw/zinc/70/44/63/135704463.db2.gz JUBRCMHALVZAOJ-UHFFFAOYSA-N 0 0 330.431 5.082 50 0 EKAARN CCOc1cccc(OCCCOc2ccc([C@@H](C)CC)cc2)c1 ZINC000014084361 563983167 /nfs/dbraw/zinc/98/31/67/563983167.db2.gz OLFUSFAMNKRNOA-KRWDZBQOSA-N 0 0 328.452 5.447 50 0 EKAARN CCOc1cccc(OCCCOc2ccc([C@H](C)CC)cc2)c1 ZINC000014084363 563983164 /nfs/dbraw/zinc/98/31/64/563983164.db2.gz OLFUSFAMNKRNOA-QGZVFWFLSA-N 0 0 328.452 5.447 50 0 EKAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1cccs1 ZINC000014085810 563738784 /nfs/dbraw/zinc/73/87/84/563738784.db2.gz VGXKMPRCRILRTG-OAHLLOKOSA-N 0 0 341.407 5.125 50 0 EKAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1cccs1 ZINC000014085812 563738773 /nfs/dbraw/zinc/73/87/73/563738773.db2.gz VGXKMPRCRILRTG-HNNXBMFYSA-N 0 0 341.407 5.125 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1occc1COc1ccccc1 ZINC000014092961 563739301 /nfs/dbraw/zinc/73/93/01/563739301.db2.gz YFBOLPVIXPOBKN-UHFFFAOYSA-N 0 0 341.794 5.073 50 0 EKAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000014094373 563739538 /nfs/dbraw/zinc/73/95/38/563739538.db2.gz RNORYQVUKQAMJR-OAHLLOKOSA-N 0 0 329.399 5.006 50 0 EKAARN C[C@H](NC(=O)Cc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000014094374 563739532 /nfs/dbraw/zinc/73/95/32/563739532.db2.gz RNORYQVUKQAMJR-HNNXBMFYSA-N 0 0 329.399 5.006 50 0 EKAARN Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000014094941 563740079 /nfs/dbraw/zinc/74/00/79/563740079.db2.gz GHBMGPBXHZAWLM-AWEZNQCLSA-N 0 0 344.505 5.136 50 0 EKAARN Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1C[C@H]1CCCO1 ZINC000014094942 563740054 /nfs/dbraw/zinc/74/00/54/563740054.db2.gz GHBMGPBXHZAWLM-CQSZACIVSA-N 0 0 344.505 5.136 50 0 EKAARN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc2ccccc2c1 ZINC000014109572 563741246 /nfs/dbraw/zinc/74/12/46/563741246.db2.gz BCGQOCXTBBNLGA-LLVKDONJSA-N 0 0 345.229 5.033 50 0 EKAARN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc2ccccc2c1 ZINC000014109575 563741270 /nfs/dbraw/zinc/74/12/70/563741270.db2.gz BCGQOCXTBBNLGA-NSHDSACASA-N 0 0 345.229 5.033 50 0 EKAARN CC(C)c1cc(C(=O)Nc2cccc3cccnc32)c2ccccc2n1 ZINC000014109969 563741227 /nfs/dbraw/zinc/74/12/27/563741227.db2.gz IJYDPTFIDTZXST-UHFFFAOYSA-N 0 0 341.414 5.159 50 0 EKAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(Cl)c1Cl ZINC000014115827 563742035 /nfs/dbraw/zinc/74/20/35/563742035.db2.gz VXGVMAUESVCJOJ-UHFFFAOYSA-N 0 0 349.242 5.369 50 0 EKAARN CCC[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 ZINC000014117973 563742461 /nfs/dbraw/zinc/74/24/61/563742461.db2.gz OMZQEBGSUNUODC-GOSISDBHSA-N 0 0 336.460 5.333 50 0 EKAARN CCC[C@H](C(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 ZINC000014117976 563742396 /nfs/dbraw/zinc/74/23/96/563742396.db2.gz OMZQEBGSUNUODC-SFHVURJKSA-N 0 0 336.460 5.333 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000014122930 563742872 /nfs/dbraw/zinc/74/28/72/563742872.db2.gz QZMALEGFKFMMLO-UHFFFAOYSA-N 0 0 348.446 5.027 50 0 EKAARN Fc1ccc(-c2cc3ncnc(SC4CCCC4)c3s2)cc1 ZINC000014128598 211688704 /nfs/dbraw/zinc/68/87/04/211688704.db2.gz RWENPTRMIYNJJF-UHFFFAOYSA-N 0 0 330.453 5.532 50 0 EKAARN Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)c(Cl)c1 ZINC000014139977 563744869 /nfs/dbraw/zinc/74/48/69/563744869.db2.gz YZQKKDYGWCJDAV-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN O=C(Nc1cccc2cccnc21)c1ccccc1Cc1ccccc1 ZINC000014140461 201927429 /nfs/dbraw/zinc/92/74/29/201927429.db2.gz OMILGIHCLAOOFD-UHFFFAOYSA-N 0 0 338.410 5.078 50 0 EKAARN COc1ccc(C)cc1NC(=O)c1cc2c(cccc2Cl)s1 ZINC000014166093 211697492 /nfs/dbraw/zinc/69/74/92/211697492.db2.gz FLAAJRPHNBXMGX-UHFFFAOYSA-N 0 0 331.824 5.124 50 0 EKAARN CC(=O)Nc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 ZINC000014167628 563746600 /nfs/dbraw/zinc/74/66/00/563746600.db2.gz KSPAGUFHLSNCRN-UHFFFAOYSA-N 0 0 328.824 5.089 50 0 EKAARN CC(=O)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000014167629 211697700 /nfs/dbraw/zinc/69/77/00/211697700.db2.gz MWNGLNXWUCLSGF-UHFFFAOYSA-N 0 0 328.824 5.089 50 0 EKAARN Cc1c2cc(Br)ccc2oc1-c1nc2ccccc2s1 ZINC000014185460 201930996 /nfs/dbraw/zinc/93/09/96/201930996.db2.gz AJLHQHSRTLLPGC-UHFFFAOYSA-N 0 0 344.233 5.780 50 0 EKAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000014200489 563750571 /nfs/dbraw/zinc/75/05/71/563750571.db2.gz KRTBJSVQBVIBNZ-UHFFFAOYSA-N 0 0 331.346 5.127 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(F)c1 ZINC000014201577 563750528 /nfs/dbraw/zinc/75/05/28/563750528.db2.gz PTSKWXTYGHWNIL-UHFFFAOYSA-N 0 0 329.758 5.300 50 0 EKAARN C[C@@H](Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000014201625 563983444 /nfs/dbraw/zinc/98/34/44/563983444.db2.gz UZFURKBRPIQUSR-SNVBAGLBSA-N 0 0 335.190 5.183 50 0 EKAARN C[C@H](Oc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000014201626 563983431 /nfs/dbraw/zinc/98/34/31/563983431.db2.gz UZFURKBRPIQUSR-JTQLQIEISA-N 0 0 335.190 5.183 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000014202319 201932380 /nfs/dbraw/zinc/93/23/80/201932380.db2.gz GJDDVZLWVRSCLX-SJORKVTESA-N 0 0 348.471 5.293 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000014202320 563750587 /nfs/dbraw/zinc/75/05/87/563750587.db2.gz GJDDVZLWVRSCLX-IRXDYDNUSA-N 0 0 348.471 5.293 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 ZINC000014202321 211712194 /nfs/dbraw/zinc/71/21/94/211712194.db2.gz GJDDVZLWVRSCLX-IAGOWNOFSA-N 0 0 348.471 5.293 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1 ZINC000014202322 211712548 /nfs/dbraw/zinc/71/25/48/211712548.db2.gz GJDDVZLWVRSCLX-DLBZAZTESA-N 0 0 348.471 5.293 50 0 EKAARN CN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000014202341 563750824 /nfs/dbraw/zinc/75/08/24/563750824.db2.gz DDDSZBHMVLTNAT-UHFFFAOYSA-N 0 0 344.439 5.240 50 0 EKAARN CC[C@@H](NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(C)cc1 ZINC000014226541 563752444 /nfs/dbraw/zinc/75/24/44/563752444.db2.gz LTBKSPLJMGDEQV-HXUWFJFHSA-N 0 0 335.447 5.168 50 0 EKAARN CC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)c1ccc(C)cc1 ZINC000014226544 563752473 /nfs/dbraw/zinc/75/24/73/563752473.db2.gz LTBKSPLJMGDEQV-FQEVSTJZSA-N 0 0 335.447 5.168 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3F)o2)c(Cl)c1 ZINC000014227380 563752498 /nfs/dbraw/zinc/75/24/98/563752498.db2.gz GGZYMROXCRDYTP-UHFFFAOYSA-N 0 0 343.785 5.608 50 0 EKAARN O=C(c1cc2ccccc2s1)N1CCCSc2ccccc21 ZINC000014238861 563753578 /nfs/dbraw/zinc/75/35/78/563753578.db2.gz GAAWBSKPICMESA-UHFFFAOYSA-N 0 0 325.458 5.044 50 0 EKAARN C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc2ccccc2c1 ZINC000014238928 563753530 /nfs/dbraw/zinc/75/35/30/563753530.db2.gz VYSPMDDYVNEHLD-MRXNPFEDSA-N 0 0 343.430 5.083 50 0 EKAARN C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc2ccccc2c1 ZINC000014238931 563753486 /nfs/dbraw/zinc/75/34/86/563753486.db2.gz VYSPMDDYVNEHLD-INIZCTEOSA-N 0 0 343.430 5.083 50 0 EKAARN O=C(Nc1ccccc1Cl)c1sc2cc(F)ccc2c1Cl ZINC000014240371 563753541 /nfs/dbraw/zinc/75/35/41/563753541.db2.gz NCKLYLATGQMTIU-UHFFFAOYSA-N 0 0 340.206 5.600 50 0 EKAARN CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014245997 563754997 /nfs/dbraw/zinc/75/49/97/563754997.db2.gz FPUYTGBNJQXZMQ-SFHVURJKSA-N 0 0 344.842 5.108 50 0 EKAARN CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014245998 201935563 /nfs/dbraw/zinc/93/55/63/201935563.db2.gz FPUYTGBNJQXZMQ-GOSISDBHSA-N 0 0 344.842 5.108 50 0 EKAARN COc1ccc(Cc2nc3ccccc3c(-c3ccccc3)n2)cc1F ZINC000014246085 563754977 /nfs/dbraw/zinc/75/49/77/563754977.db2.gz VFPJWCKEGZAMRU-UHFFFAOYSA-N 0 0 344.389 5.035 50 0 EKAARN COc1ccc(-c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1 ZINC000014246094 563755087 /nfs/dbraw/zinc/75/50/87/563755087.db2.gz 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/nfs/dbraw/zinc/75/64/80/563756480.db2.gz ZDSKALAEIWNMOE-HNNXBMFYSA-N 0 0 339.460 5.154 50 0 EKAARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1 ZINC000014257877 563756475 /nfs/dbraw/zinc/75/64/75/563756475.db2.gz HDFXXXZIGCJOLF-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1C ZINC000014257893 563983811 /nfs/dbraw/zinc/98/38/11/563983811.db2.gz NMNKZYOFLPOTHL-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000014258289 563756403 /nfs/dbraw/zinc/75/64/03/563756403.db2.gz NXJAZXDMERGMSR-UHFFFAOYSA-N 0 0 327.733 5.174 50 0 EKAARN O[C@@H](Cn1c2ccccc2nc1-c1ccccc1Cl)c1ccccc1 ZINC000014287895 563757187 /nfs/dbraw/zinc/75/71/87/563757187.db2.gz HNIVSRAOTSTWRB-FQEVSTJZSA-N 0 0 348.833 5.090 50 0 EKAARN O[C@H](Cn1c2ccccc2nc1-c1ccccc1Cl)c1ccccc1 ZINC000014287896 563757154 /nfs/dbraw/zinc/75/71/54/563757154.db2.gz HNIVSRAOTSTWRB-HXUWFJFHSA-N 0 0 348.833 5.090 50 0 EKAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000014399076 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Cc1cc(Oc2ccc(Br)cc2N)cc(C)c1Cl ZINC000014631010 563762003 /nfs/dbraw/zinc/76/20/03/563762003.db2.gz XNSAZAHUOJUAKB-UHFFFAOYSA-N 0 0 326.621 5.094 50 0 EKAARN Nc1cc(Br)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000014631016 563762050 /nfs/dbraw/zinc/76/20/50/563762050.db2.gz NHMNTYPGYJNMOO-UHFFFAOYSA-N 0 0 340.220 5.491 50 0 EKAARN CCC(C)(C)c1ccc(Oc2ccc(Br)cc2N)cc1 ZINC000014631021 563761971 /nfs/dbraw/zinc/76/19/71/563761971.db2.gz JGGRHISZBQAARA-UHFFFAOYSA-N 0 0 334.257 5.511 50 0 EKAARN Nc1cc(Br)ccc1Oc1ccc(Cl)c2ccccc12 ZINC000014631043 563762005 /nfs/dbraw/zinc/76/20/05/563762005.db2.gz GRURLDGCDDNEDD-UHFFFAOYSA-N 0 0 348.627 5.630 50 0 EKAARN CC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2n1 ZINC000014634332 211749283 /nfs/dbraw/zinc/74/92/83/211749283.db2.gz RQANVUIQKICFLT-UHFFFAOYSA-N 0 0 344.336 5.028 50 0 EKAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2ncsc2c1 ZINC000014664019 564113031 /nfs/dbraw/zinc/11/30/31/564113031.db2.gz TZXVEYVNEDHYBW-UHFFFAOYSA-N 0 0 344.867 5.327 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000014669423 564113069 /nfs/dbraw/zinc/11/30/69/564113069.db2.gz ZMNUPGAUOWBOGL-UHFFFAOYSA-N 0 0 344.661 5.033 50 0 EKAARN Cc1cc(C)c(NC(=O)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000014669475 564113050 /nfs/dbraw/zinc/11/30/50/564113050.db2.gz ZUUVGBARGWMUDB-UHFFFAOYSA-N 0 0 328.626 5.516 50 0 EKAARN Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000014669477 211751473 /nfs/dbraw/zinc/75/14/73/211751473.db2.gz XOALXKRYWQGWFO-UHFFFAOYSA-N 0 0 328.626 5.516 50 0 EKAARN Cc1cc(C)c(NC(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000014669479 564113071 /nfs/dbraw/zinc/11/30/71/564113071.db2.gz KXEKPWBEMAZUFA-UHFFFAOYSA-N 0 0 328.626 5.516 50 0 EKAARN CSc1ccc(Cl)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000014669497 564113048 /nfs/dbraw/zinc/11/30/48/564113048.db2.gz WMZYJJNDTKLKTK-UHFFFAOYSA-N 0 0 340.275 5.584 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000014669516 564113049 /nfs/dbraw/zinc/11/30/49/564113049.db2.gz SYQSGXFRYCGDLM-UHFFFAOYSA-N 0 0 343.732 5.108 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014672515 563762650 /nfs/dbraw/zinc/76/26/50/563762650.db2.gz UFKMLJZPGOFSKR-UHFFFAOYSA-N 0 0 346.213 5.814 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000014673848 563986379 /nfs/dbraw/zinc/98/63/79/563986379.db2.gz ZVVLIWXDKIOWSP-UHFFFAOYSA-N 0 0 349.405 5.741 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)c1ccc2ncsc2c1 ZINC000014704891 201940661 /nfs/dbraw/zinc/94/06/61/201940661.db2.gz SBFLYCANVJGEIY-UHFFFAOYSA-N 0 0 336.441 5.277 50 0 EKAARN Cc1ccc(C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000014709744 564013121 /nfs/dbraw/zinc/01/31/21/564013121.db2.gz CTWCDTIMRNSRAL-CYBMUJFWSA-N 0 0 341.407 5.153 50 0 EKAARN Cc1ccc(C(=O)[C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000014709747 207837857 /nfs/dbraw/zinc/83/78/57/207837857.db2.gz CTWCDTIMRNSRAL-ZDUSSCGKSA-N 0 0 341.407 5.153 50 0 EKAARN Cc1oc(-c2ccccc2)nc1COc1cc(Cl)ccc1Cl ZINC000014730804 211756889 /nfs/dbraw/zinc/75/68/89/211756889.db2.gz RZPOSLQJFPOUEH-UHFFFAOYSA-N 0 0 334.202 5.536 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1 ZINC000014738023 563764081 /nfs/dbraw/zinc/76/40/81/563764081.db2.gz MUHCYTVWWNYQGL-UHFFFAOYSA-N 0 0 329.415 5.090 50 0 EKAARN C[C@@H](NC(=O)c1ccc2c3c(cccc31)CC2)c1cc2ccccc2o1 ZINC000014777815 563764087 /nfs/dbraw/zinc/76/40/87/563764087.db2.gz WYQYYYNNLCDWLT-CQSZACIVSA-N 0 0 341.410 5.176 50 0 EKAARN C[C@H](NC(=O)c1ccc2c3c(cccc31)CC2)c1cc2ccccc2o1 ZINC000014777818 563764268 /nfs/dbraw/zinc/76/42/68/563764268.db2.gz WYQYYYNNLCDWLT-AWEZNQCLSA-N 0 0 341.410 5.176 50 0 EKAARN CSc1ccc(Cl)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000014793901 564023858 /nfs/dbraw/zinc/02/38/58/564023858.db2.gz IJDKPPKVLJNSEM-UHFFFAOYSA-N 0 0 340.901 5.068 50 0 EKAARN CCCCCC[C@@H](C)Nc1ccc(N[C@@H](C)CCCCCC)cc1 ZINC000014807143 563764966 /nfs/dbraw/zinc/76/49/66/563764966.db2.gz APTGHASZJUAUCP-BGYRXZFFSA-N 0 0 332.576 7.228 50 0 EKAARN O=C(/C=C/c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000014835438 564024494 /nfs/dbraw/zinc/02/44/94/564024494.db2.gz WVSMTCYOMULRCO-CMDGGOBGSA-N 0 0 325.717 5.011 50 0 EKAARN Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)c(Cl)c1 ZINC000014861393 563765930 /nfs/dbraw/zinc/76/59/30/563765930.db2.gz OTEJGFSKUMTTMD-UHFFFAOYSA-N 0 0 340.275 5.174 50 0 EKAARN O=C(/C=C/c1cccs1)Nc1ccccc1SCC(F)(F)F ZINC000014900898 211771344 /nfs/dbraw/zinc/77/13/44/211771344.db2.gz MRINXMIZSHVRJT-BQYQJAHWSA-N 0 0 343.395 5.054 50 0 EKAARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904023 564022141 /nfs/dbraw/zinc/02/21/41/564022141.db2.gz QJNGVAWIYOINJU-DNEZUFIXSA-N 0 0 346.555 5.375 50 0 EKAARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904043 564022134 /nfs/dbraw/zinc/02/21/34/564022134.db2.gz XTSCVFJBNHHMKD-RXTIWMTQSA-N 0 0 332.528 5.129 50 0 EKAARN CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904059 563766824 /nfs/dbraw/zinc/76/68/24/563766824.db2.gz LZSOOHLAZHOTHJ-ZCPXKWAGSA-N 0 0 330.512 5.050 50 0 EKAARN C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@]5(CS5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904283 564022151 /nfs/dbraw/zinc/02/21/51/564022151.db2.gz NHSADEZTTCEMTD-LHYDXMHHSA-N 0 0 334.569 5.266 50 0 EKAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CS5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904284 564022171 /nfs/dbraw/zinc/02/21/71/564022171.db2.gz NHSADEZTTCEMTD-SUDYFYTNSA-N 0 0 334.569 5.266 50 0 EKAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc2oc3ccccc3c2c1 ZINC000014906441 563766794 /nfs/dbraw/zinc/76/67/94/563766794.db2.gz KOWODWVZGJOHDG-UHFFFAOYSA-N 0 0 340.382 5.249 50 0 EKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014923166 563767352 /nfs/dbraw/zinc/76/73/52/563767352.db2.gz AZUOJYHOAWIVLM-WTNAPCKOSA-N 0 0 336.475 5.971 50 0 EKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000014923172 563767281 /nfs/dbraw/zinc/76/72/81/563767281.db2.gz AZUOJYHOAWIVLM-YHYVQYDKSA-N 0 0 336.475 5.971 50 0 EKAARN CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C ZINC000014975027 563769521 /nfs/dbraw/zinc/76/95/21/563769521.db2.gz VIZBSVDBNLAVAW-UHFFFAOYSA-N 0 0 326.484 6.017 50 0 in-vivo EKAARN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1-c1ccccc1 ZINC000015001557 564051580 /nfs/dbraw/zinc/05/15/80/564051580.db2.gz RCFVDDLTBJVTEX-UHFFFAOYSA-N 0 0 327.305 5.023 50 0 EKAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1Cl ZINC000015009586 563771432 /nfs/dbraw/zinc/77/14/32/563771432.db2.gz PKUBSUIFNWMEGR-UHFFFAOYSA-N 0 0 349.814 5.341 50 0 EKAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(F)cc1Cl ZINC000015009646 563771485 /nfs/dbraw/zinc/77/14/85/563771485.db2.gz NNFFFOICABJAEY-UHFFFAOYSA-N 0 0 338.165 5.439 50 0 EKAARN CCOc1ccc2oc(C(=O)Nc3ccc(F)cc3Cl)c(C)c2c1 ZINC000015009737 563771561 /nfs/dbraw/zinc/77/15/61/563771561.db2.gz DMEIQQIHQYGQIU-UHFFFAOYSA-N 0 0 347.773 5.185 50 0 EKAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1Cl ZINC000015009824 563771571 /nfs/dbraw/zinc/77/15/71/563771571.db2.gz YGXYJXWBYNSCAH-UHFFFAOYSA-N 0 0 347.773 5.014 50 0 EKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1C(F)(F)F ZINC000015010951 563771780 /nfs/dbraw/zinc/77/17/80/563771780.db2.gz AXYOITCXDSOHFQ-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000015010953 563771811 /nfs/dbraw/zinc/77/18/11/563771811.db2.gz VJNGWHUQVSRKNR-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN CCc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000015010979 563771855 /nfs/dbraw/zinc/77/18/55/563771855.db2.gz DZKRWVIZZWWKBC-WJDWOHSUSA-N 0 0 343.835 5.143 50 0 EKAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 ZINC000015016183 563772341 /nfs/dbraw/zinc/77/23/41/563772341.db2.gz AAZMLKGEERBKRT-CRAIPNDOSA-N 0 0 338.457 5.052 50 0 EKAARN Cc1cc(-c2ccccc2)n(-c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000015016489 563772721 /nfs/dbraw/zinc/77/27/21/563772721.db2.gz WZYICWRMKBGTCO-UHFFFAOYSA-N 0 0 337.637 5.808 50 0 EKAARN Cc1ccccc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000015016685 563772713 /nfs/dbraw/zinc/77/27/13/563772713.db2.gz UEJUGYMLAACBEX-UHFFFAOYSA-N 0 0 330.250 5.548 50 0 EKAARN CC(C)Oc1ccc(Cc2c[nH]c3ccc(Br)cc23)cc1 ZINC000015017206 563772960 /nfs/dbraw/zinc/77/29/60/563772960.db2.gz IBFWNFDKLGHVRR-UHFFFAOYSA-N 0 0 344.252 5.308 50 0 EKAARN CCOc1cc(Cc2c[nH]c3ccccc23)cc(Cl)c1OCC ZINC000015017268 563772984 /nfs/dbraw/zinc/77/29/84/563772984.db2.gz XHRQRDIFUPZTAU-UHFFFAOYSA-N 0 0 329.827 5.210 50 0 EKAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000015017392 211789244 /nfs/dbraw/zinc/78/92/44/211789244.db2.gz JCHMVWGJIVBEQR-INIZCTEOSA-N 0 0 337.806 5.187 50 0 EKAARN Cc1cccc2c1NC(=O)[C@H]2Cc1cccc(Oc2ccccc2)c1 ZINC000015017441 563772990 /nfs/dbraw/zinc/77/29/90/563772990.db2.gz BXXHSDXYZDXCJH-FQEVSTJZSA-N 0 0 329.399 5.066 50 0 EKAARN CCOC(=O)c1oc2c(cccc2C)c1CNc1ccccc1Cl ZINC000015017558 201947341 /nfs/dbraw/zinc/94/73/41/201947341.db2.gz YQBHCDKLYIMPNP-UHFFFAOYSA-N 0 0 343.810 5.183 50 0 EKAARN Cc1ccc2c(c1)[C@@H](Cc1cccc(Oc3ccccc3)c1)C(=O)N2 ZINC000015017655 563772978 /nfs/dbraw/zinc/77/29/78/563772978.db2.gz PEMUSUOBCHVWEP-HXUWFJFHSA-N 0 0 329.399 5.066 50 0 EKAARN Clc1ccc2[nH]cc(Cc3cccc(Oc4ccccc4)c3)c2c1 ZINC000015017723 563773320 /nfs/dbraw/zinc/77/33/20/563773320.db2.gz SOWVTHMUKCLGPE-UHFFFAOYSA-N 0 0 333.818 6.204 50 0 EKAARN CCOc1ccc(Cc2c[nH]c3ccc(Cl)cc23)cc1OCC ZINC000015017756 201946784 /nfs/dbraw/zinc/94/67/84/201946784.db2.gz JJIJFYDJMDBQHK-UHFFFAOYSA-N 0 0 329.827 5.210 50 0 EKAARN CC(C)c1ccc(Cc2cn(C)c3ccc(Br)cc23)cc1 ZINC000015017859 563773302 /nfs/dbraw/zinc/77/33/02/563773302.db2.gz WJZRJPAQTHBSQJ-UHFFFAOYSA-N 0 0 342.280 5.655 50 0 EKAARN CSc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015017874 563773369 /nfs/dbraw/zinc/77/33/69/563773369.db2.gz ALQDDIXTTLRXBH-SNRMKQJTSA-N 0 0 345.895 5.696 50 0 EKAARN COc1ccc(Cl)cc1[C@@H]1Nc2ccc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000015017875 563773271 /nfs/dbraw/zinc/77/32/71/563773271.db2.gz IAKFIUPMDSLQBM-KPOBHBOGSA-N 0 0 343.854 5.292 50 0 EKAARN Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000015017879 211789978 /nfs/dbraw/zinc/78/99/78/211789978.db2.gz CXVIDGGMNLBIKW-WBAXXEDZSA-N 0 0 344.252 5.002 50 0 EKAARN Brc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccccc1)N2 ZINC000015017927 563773358 /nfs/dbraw/zinc/77/33/58/563773358.db2.gz WCTGPKLSKIUXKR-WBAXXEDZSA-N 0 0 344.252 5.084 50 0 EKAARN Clc1ccc2[nH]cc(Cc3cccc(OC4CCCC4)c3)c2c1 ZINC000015017941 563773259 /nfs/dbraw/zinc/77/32/59/563773259.db2.gz WGYKGJIMVCVIKR-UHFFFAOYSA-N 0 0 325.839 5.734 50 0 EKAARN CSc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018035 563773334 /nfs/dbraw/zinc/77/33/34/563773334.db2.gz AUGYAGSXZWZGIX-VDGAXYAQSA-N 0 0 325.477 5.351 50 0 EKAARN CCOc1ccc(C[C@@H]2c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000015018071 563773248 /nfs/dbraw/zinc/77/32/48/563773248.db2.gz SLUOWGIHNGGCNY-OAQYLSRUSA-N 0 0 343.426 5.090 50 0 EKAARN CCOc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018078 563773307 /nfs/dbraw/zinc/77/33/07/563773307.db2.gz OWJMWNGGESOTHN-NYVOZVTQSA-N 0 0 337.463 5.337 50 0 EKAARN CCOc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCCC[C@@H]12 ZINC000015018110 563773265 /nfs/dbraw/zinc/77/32/65/563773265.db2.gz YWWVRNXFCJKMPS-YSSFQJQWSA-N 0 0 343.854 5.373 50 0 EKAARN CCn1cc(Cc2ccc(OC)cc2)c2cc(Br)ccc21 ZINC000015018148 563773327 /nfs/dbraw/zinc/77/33/27/563773327.db2.gz ZJSLKGQPPWAYFK-UHFFFAOYSA-N 0 0 344.252 5.023 50 0 EKAARN CCOc1cccc(C[C@@H]2c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000015018230 563773594 /nfs/dbraw/zinc/77/35/94/563773594.db2.gz YHVBPWDIKMYBAV-OAQYLSRUSA-N 0 0 343.426 5.090 50 0 EKAARN COc1ccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)cc1C ZINC000015018242 563773586 /nfs/dbraw/zinc/77/35/86/563773586.db2.gz WARQQVVEHNJUPJ-FQEVSTJZSA-N 0 0 343.426 5.008 50 0 EKAARN COc1ccc(OC)c(Cc2cn(-c3ccccc3)c3ccccc23)c1 ZINC000015018253 211790154 /nfs/dbraw/zinc/79/01/54/211790154.db2.gz LJZHKYKXNSXYIA-UHFFFAOYSA-N 0 0 343.426 5.239 50 0 EKAARN CCOc1cccc(Cc2cn(-c3ccccc3)c3ccccc23)c1 ZINC000015018257 563773556 /nfs/dbraw/zinc/77/35/56/563773556.db2.gz IKIFKAFELWUXMQ-UHFFFAOYSA-N 0 0 327.427 5.620 50 0 EKAARN CCOc1ccccc1[C@@H]1Nc2c(C)cc(C)cc2[C@H]2OCCC[C@@H]12 ZINC000015018273 563773553 /nfs/dbraw/zinc/77/35/53/563773553.db2.gz CBTMIGOYYKEXCD-HSQYWUDLSA-N 0 0 337.463 5.337 50 0 EKAARN CCc1ccc(Cc2cn(C)c3ccc(Br)cc23)cc1 ZINC000015018274 563773584 /nfs/dbraw/zinc/77/35/84/563773584.db2.gz JEKOIWDXPVXCJF-UHFFFAOYSA-N 0 0 328.253 5.094 50 0 EKAARN CSc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018284 563773571 /nfs/dbraw/zinc/77/35/71/563773571.db2.gz DTOTXVBYTGBLOG-YYWHXJBOSA-N 0 0 339.504 5.660 50 0 EKAARN CCOc1ccccc1C[C@H]1c2ccccc2N(c2ccccc2)C1=O ZINC000015018287 563773590 /nfs/dbraw/zinc/77/35/90/563773590.db2.gz LHRFKSCHVPGGPE-FQEVSTJZSA-N 0 0 343.426 5.090 50 0 EKAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1ccccc1 ZINC000015019489 211791407 /nfs/dbraw/zinc/79/14/07/211791407.db2.gz NGUGSXAVVUWBQA-UHFFFAOYSA-N 0 0 329.424 5.346 50 0 EKAARN COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3sc(C)cc32)c1 ZINC000015022796 211790617 /nfs/dbraw/zinc/79/06/17/211790617.db2.gz HOBBDLHPRHUDAZ-KYNGSXCRSA-N 0 0 344.476 5.220 50 0 EKAARN COc1ccc(OC)c([C@@H]2O[C@H]3CCCC[C@@H]3c3sc(C)cc32)c1 ZINC000015022799 563773937 /nfs/dbraw/zinc/77/39/37/563773937.db2.gz HOBBDLHPRHUDAZ-JVPBZIDWSA-N 0 0 344.476 5.220 50 0 EKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000015070610 563775923 /nfs/dbraw/zinc/77/59/23/563775923.db2.gz IPQAPAQUKGCTCL-LJQANCHMSA-N 0 0 348.446 5.120 50 0 EKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCCC[C@H]1c1ccccn1 ZINC000015070612 563775946 /nfs/dbraw/zinc/77/59/46/563775946.db2.gz IPQAPAQUKGCTCL-IBGZPJMESA-N 0 0 348.446 5.120 50 0 EKAARN O=C1CSC2(CCCCC2)N1c1ccc(Oc2ccccc2)cc1 ZINC000015082835 563777173 /nfs/dbraw/zinc/77/71/73/563777173.db2.gz UDAJWOVTSVJQSP-UHFFFAOYSA-N 0 0 339.460 5.219 50 0 EKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)SC(C)=N2 ZINC000015084842 563777603 /nfs/dbraw/zinc/77/76/03/563777603.db2.gz WIPPZGVXFAUTOB-GOSISDBHSA-N 0 0 337.423 5.206 50 0 EKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1)SC(C)=N2 ZINC000015084844 201951318 /nfs/dbraw/zinc/95/13/18/201951318.db2.gz WIPPZGVXFAUTOB-SFHVURJKSA-N 0 0 337.423 5.206 50 0 EKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccs1)SC(C)=N2 ZINC000015085284 563777575 /nfs/dbraw/zinc/77/75/75/563777575.db2.gz QYJXRNBKVOAZLS-MRXNPFEDSA-N 0 0 343.452 5.267 50 0 EKAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccs1)SC(C)=N2 ZINC000015085285 563777641 /nfs/dbraw/zinc/77/76/41/563777641.db2.gz QYJXRNBKVOAZLS-INIZCTEOSA-N 0 0 343.452 5.267 50 0 EKAARN C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)Oc1ccccc1 ZINC000015108429 211802785 /nfs/dbraw/zinc/80/27/85/211802785.db2.gz PXJLOFQBIHQXIG-HNNXBMFYSA-N 0 0 345.398 5.306 50 0 EKAARN C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)Oc1ccccc1 ZINC000015108431 563778351 /nfs/dbraw/zinc/77/83/51/563778351.db2.gz PXJLOFQBIHQXIG-OAHLLOKOSA-N 0 0 345.398 5.306 50 0 EKAARN CC(C)=CCC/C(C)=C/CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1 ZINC000015120190 563778707 /nfs/dbraw/zinc/77/87/07/563778707.db2.gz WQOSNKWCIQZRGH-IHSQGBLNSA-N 0 0 326.480 6.338 50 0 biogenic,in-vitro EKAARN COc1ccc(/C=C2\c3cc(C)ccc3-c3nc4ccccc4cc32)cc1 ZINC000015134618 563778695 /nfs/dbraw/zinc/77/86/95/563778695.db2.gz SVDGIGFMCYDCSG-HYARGMPZSA-N 0 0 349.433 6.121 50 0 EKAARN Cc1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCC3)cc1 ZINC000015162289 564056033 /nfs/dbraw/zinc/05/60/33/564056033.db2.gz PKKFWPIIHLZDST-UHFFFAOYSA-N 0 0 349.503 5.232 50 0 EKAARN Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000015162561 563779181 /nfs/dbraw/zinc/77/91/81/563779181.db2.gz KNQQKKJIUATUAK-OYRHEFFESA-N 0 0 340.470 5.146 50 0 EKAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1 ZINC000015224436 563780473 /nfs/dbraw/zinc/78/04/73/563780473.db2.gz ZKJXTIDGBCQWFN-ICSRJNTNSA-N 0 0 340.854 5.174 50 0 EKAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1 ZINC000015224438 211807815 /nfs/dbraw/zinc/80/78/15/211807815.db2.gz ZKJXTIDGBCQWFN-QUCCMNQESA-N 0 0 340.854 5.174 50 0 EKAARN Cc1ccc(N2C(=O)[C@H](C)SC23CCC(C(C)(C)C)CC3)cc1 ZINC000015226435 211809379 /nfs/dbraw/zinc/80/93/79/211809379.db2.gz PJVWUULMSQJZFS-SHPPYHEDSA-N 0 0 331.525 5.396 50 0 EKAARN Cc1ccc(N2C(=O)[C@@H](C)SC23CCC(C(C)(C)C)CC3)cc1 ZINC000015226436 203288467 /nfs/dbraw/zinc/28/84/67/203288467.db2.gz PJVWUULMSQJZFS-LSWWBPAMSA-N 0 0 331.525 5.396 50 0 EKAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2ncsc2c1 ZINC000015316325 563782454 /nfs/dbraw/zinc/78/24/54/563782454.db2.gz RTWDBHRGRIZQDV-UHFFFAOYSA-N 0 0 330.412 5.216 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000015317470 563782448 /nfs/dbraw/zinc/78/24/48/563782448.db2.gz LJKJLANZFMOGJV-UHFFFAOYSA-N 0 0 327.811 5.193 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3cccc4ccccc43)c2cc1C ZINC000015319778 563782687 /nfs/dbraw/zinc/78/26/87/563782687.db2.gz LKLVIYUMGPKDML-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc4ccccc4c3)c2cc1C ZINC000015319817 563782783 /nfs/dbraw/zinc/78/27/83/563782783.db2.gz OKQIXLNOWOANNB-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3C)c2cc1C ZINC000015320475 563782662 /nfs/dbraw/zinc/78/26/62/563782662.db2.gz DNUIKRUJHARWHZ-UHFFFAOYSA-N 0 0 327.811 5.193 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3Cl)c2cc1C ZINC000015320532 211814855 /nfs/dbraw/zinc/81/48/55/211814855.db2.gz JCXAJHJDXOQKBF-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)O[C@@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 ZINC000015321022 563782759 /nfs/dbraw/zinc/78/27/59/563782759.db2.gz ULOOTODLOBJAKK-SADCGLOJSA-N 0 0 340.250 5.511 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)O[C@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 ZINC000015321025 201954577 /nfs/dbraw/zinc/95/45/77/201954577.db2.gz ULOOTODLOBJAKK-VSQNCQAESA-N 0 0 340.250 5.511 50 0 EKAARN Cc1ccc(CNc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000015346010 564060898 /nfs/dbraw/zinc/06/08/98/564060898.db2.gz IOGOFWGXDMNNIN-UHFFFAOYSA-N 0 0 349.434 5.418 50 0 EKAARN Cc1cccc(C)c1NC(=S)N(Cc1ccccc1)c1ccccc1 ZINC000015348532 564060955 /nfs/dbraw/zinc/06/09/55/564060955.db2.gz UCKIWMJIJDYQFU-UHFFFAOYSA-N 0 0 346.499 5.707 50 0 EKAARN CCCCOc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OC ZINC000015349158 564024116 /nfs/dbraw/zinc/02/41/16/564024116.db2.gz UTHZIFUSCNQISV-DHZHZOJOSA-N 0 0 349.430 5.298 50 0 EKAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2SC(F)F)c1 ZINC000015356143 201956087 /nfs/dbraw/zinc/95/60/87/201956087.db2.gz RLUHBFQCSQXQLH-CYBMUJFWSA-N 0 0 335.419 5.109 50 0 EKAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2SC(F)F)c1 ZINC000015356144 563783472 /nfs/dbraw/zinc/78/34/72/563783472.db2.gz RLUHBFQCSQXQLH-ZDUSSCGKSA-N 0 0 335.419 5.109 50 0 EKAARN C[C@@H](NCc1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000015447490 564024248 /nfs/dbraw/zinc/02/42/48/564024248.db2.gz HOYKDNKVTLGNMT-SNVBAGLBSA-N 0 0 337.275 5.454 50 0 EKAARN C[C@H](NCc1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000015447491 564024254 /nfs/dbraw/zinc/02/42/54/564024254.db2.gz HOYKDNKVTLGNMT-JTQLQIEISA-N 0 0 337.275 5.454 50 0 EKAARN Oc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c(O)c1 ZINC000015453797 563784586 /nfs/dbraw/zinc/78/45/86/563784586.db2.gz NPFBSPJXOCXDSD-UHFFFAOYSA-N 0 0 347.801 5.633 50 0 EKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)SC/C=C/c1ccccc1 ZINC000015493882 211826541 /nfs/dbraw/zinc/82/65/41/211826541.db2.gz ZUBBKESKUNQJHZ-MSGBMKDASA-N 0 0 325.477 5.077 50 0 EKAARN Cc1cccc(C)c1NC(=O)[C@H](C)SC/C=C/c1ccccc1 ZINC000015493883 563785665 /nfs/dbraw/zinc/78/56/65/563785665.db2.gz ZUBBKESKUNQJHZ-YJJOXIQCSA-N 0 0 325.477 5.077 50 0 EKAARN Cc1cc(C)cc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000015494626 563785528 /nfs/dbraw/zinc/78/55/28/563785528.db2.gz BKLKBGXCGSWIOR-QGZVFWFLSA-N 0 0 327.493 5.181 50 0 EKAARN Cc1cc(C)cc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000015494627 563785658 /nfs/dbraw/zinc/78/56/58/563785658.db2.gz BKLKBGXCGSWIOR-KRWDZBQOSA-N 0 0 327.493 5.181 50 0 EKAARN Fc1cccc2c1SCc1c-2nc2ccccc2c1-c1ccccc1 ZINC000015525597 563786137 /nfs/dbraw/zinc/78/61/37/563786137.db2.gz JVJPRZDCZDPVPL-UHFFFAOYSA-N 0 0 343.426 6.314 50 0 EKAARN Cc1nc2cc(NC(=O)c3cc(C(C)C)nc4ccccc43)ccc2o1 ZINC000015537623 564067864 /nfs/dbraw/zinc/06/78/64/564067864.db2.gz MGHACLUMCJAZCB-UHFFFAOYSA-N 0 0 345.402 5.060 50 0 EKAARN Cc1nc2cc(NC(=O)c3sccc3-c3ccc(C)cc3)ccc2o1 ZINC000015537624 563786561 /nfs/dbraw/zinc/78/65/61/563786561.db2.gz PKRXCBNFAQOVSF-UHFFFAOYSA-N 0 0 348.427 5.425 50 0 EKAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000015539458 563786544 /nfs/dbraw/zinc/78/65/44/563786544.db2.gz KCIGDOIIHXFOOT-GOSISDBHSA-N 0 0 329.443 5.116 50 0 EKAARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000015539459 211829496 /nfs/dbraw/zinc/82/94/96/211829496.db2.gz KCIGDOIIHXFOOT-SFHVURJKSA-N 0 0 329.443 5.116 50 0 EKAARN CSc1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000015540012 563786499 /nfs/dbraw/zinc/78/64/99/563786499.db2.gz FTYDOUSZSXYWNK-UHFFFAOYSA-N 0 0 345.773 5.333 50 0 EKAARN Oc1ccc(O)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000015544108 563786550 /nfs/dbraw/zinc/78/65/50/563786550.db2.gz SIRKDTSCIAPWMM-UHFFFAOYSA-N 0 0 347.801 5.633 50 0 EKAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3Cl)ccc2c1 ZINC000015576281 563787291 /nfs/dbraw/zinc/78/72/91/563787291.db2.gz QJCKJVYVSGLARM-ZDUSSCGKSA-N 0 0 339.822 5.244 50 0 EKAARN COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1C ZINC000015578018 564068765 /nfs/dbraw/zinc/06/87/65/564068765.db2.gz ALQJAMKDHPWCON-UHFFFAOYSA-N 0 0 325.452 5.503 50 0 EKAARN COc1cc2c(cc1NC(=O)c1ccc(C)c(F)c1)oc1ccccc12 ZINC000015581322 201957665 /nfs/dbraw/zinc/95/76/65/201957665.db2.gz JSNBVNBZTJMFAX-UHFFFAOYSA-N 0 0 349.361 5.294 50 0 EKAARN CSCc1c2ccccc2oc1C(=O)NC1CCCCCCC1 ZINC000015593463 211834485 /nfs/dbraw/zinc/83/44/85/211834485.db2.gz KALXOKICRPTGEK-UHFFFAOYSA-N 0 0 331.481 5.139 50 0 EKAARN CCc1ccccc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000015604595 563788385 /nfs/dbraw/zinc/78/83/85/563788385.db2.gz NSUCUUIJPUCHCS-HNNXBMFYSA-N 0 0 333.431 5.153 50 0 EKAARN O=C(Nc1cccc2cccnc21)c1ccc(SC(F)(F)F)cc1 ZINC000015612034 564069383 /nfs/dbraw/zinc/06/93/83/564069383.db2.gz YDSXEQMWRAOTGN-UHFFFAOYSA-N 0 0 348.349 5.099 50 0 EKAARN O=C(Nc1cccc(Cl)c1)c1ccccc1COc1ccccc1 ZINC000015629806 563788765 /nfs/dbraw/zinc/78/87/65/563788765.db2.gz NZQMFGNKKCNEBQ-UHFFFAOYSA-N 0 0 337.806 5.171 50 0 EKAARN CC1(C)COP(=O)([C@@H](Nc2ccccc2)c2ccccc2)OC1 ZINC000015635826 563789168 /nfs/dbraw/zinc/78/91/68/563789168.db2.gz IGFZDWKOBNUVGY-QGZVFWFLSA-N 0 0 331.352 5.063 50 0 EKAARN CC1(C)COP(=O)([C@H](Nc2ccccc2)c2ccccc2)OC1 ZINC000015635827 563789114 /nfs/dbraw/zinc/78/91/14/563789114.db2.gz IGFZDWKOBNUVGY-KRWDZBQOSA-N 0 0 331.352 5.063 50 0 EKAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 ZINC000015643653 563789555 /nfs/dbraw/zinc/78/95/55/563789555.db2.gz WXAFKHUPLCPPRH-UHFFFAOYSA-N 0 0 340.426 5.406 50 0 EKAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC000015651987 211837172 /nfs/dbraw/zinc/83/71/72/211837172.db2.gz UMAPUTAZIDHTRJ-CYBMUJFWSA-N 0 0 342.489 5.032 50 0 EKAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C)c1 ZINC000015651989 563789570 /nfs/dbraw/zinc/78/95/70/563789570.db2.gz UMAPUTAZIDHTRJ-ZDUSSCGKSA-N 0 0 342.489 5.032 50 0 EKAARN O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000015659825 563789971 /nfs/dbraw/zinc/78/99/71/563789971.db2.gz NHQTYMWPSIPZGS-KAMYIIQDSA-N 0 0 340.382 5.147 50 0 EKAARN CN(C(=O)c1ccccc1)[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670853 563790300 /nfs/dbraw/zinc/79/03/00/563790300.db2.gz BADJSIINBZIQES-QFIPXVFZSA-N 0 0 340.426 5.030 50 0 EKAARN CN(C(=O)c1ccccc1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670854 563790283 /nfs/dbraw/zinc/79/02/83/563790283.db2.gz BADJSIINBZIQES-JOCHJYFZSA-N 0 0 340.426 5.030 50 0 EKAARN CCCCC(=O)N(C)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670877 563790334 /nfs/dbraw/zinc/79/03/34/563790334.db2.gz FOBLSOMQELMBMJ-QFIPXVFZSA-N 0 0 334.463 5.214 50 0 EKAARN CCCCC(=O)N(C)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000015670878 211838284 /nfs/dbraw/zinc/83/82/84/211838284.db2.gz FOBLSOMQELMBMJ-JOCHJYFZSA-N 0 0 334.463 5.214 50 0 EKAARN Cc1cccc(CSc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000015679830 211842966 /nfs/dbraw/zinc/84/29/66/211842966.db2.gz QFUAYHQMFOOZCK-UHFFFAOYSA-N 0 0 345.471 5.080 50 0 EKAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccccc1 ZINC000015720110 563791110 /nfs/dbraw/zinc/79/11/10/563791110.db2.gz FFYYQBRXSMXOLN-UHFFFAOYSA-N 0 0 325.458 5.293 50 0 EKAARN Cc1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 ZINC000015720141 563791085 /nfs/dbraw/zinc/79/10/85/563791085.db2.gz UVSRLJAJYNBWTA-UHFFFAOYSA-N 0 0 339.485 5.601 50 0 EKAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccccc1F ZINC000015720286 563791040 /nfs/dbraw/zinc/79/10/40/563791040.db2.gz BNQHLTSMWQCIHX-UHFFFAOYSA-N 0 0 343.448 5.432 50 0 EKAARN CCCc1ccc(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)cc1 ZINC000015724098 563791036 /nfs/dbraw/zinc/79/10/36/563791036.db2.gz HFMQJADHSHZKNE-UHFFFAOYSA-N 0 0 341.414 5.418 50 0 EKAARN Cc1c2ccc(NC(=O)C(C)(C)C)cc2oc1C(=O)c1ccc(C)cc1 ZINC000015729332 201367969 /nfs/dbraw/zinc/36/79/69/201367969.db2.gz CIASJKXUHCYBNX-UHFFFAOYSA-N 0 0 349.430 5.265 50 0 EKAARN Cc1c2cc(NC(=O)C(C)(C)C)ccc2oc1C(=O)c1ccc(C)cc1 ZINC000015729442 564072503 /nfs/dbraw/zinc/07/25/03/564072503.db2.gz WOVGNBXCNGDXSU-UHFFFAOYSA-N 0 0 349.430 5.265 50 0 EKAARN O=C(CC1CCCCC1)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000015730164 564072633 /nfs/dbraw/zinc/07/26/33/564072633.db2.gz CYBHRKUDHFSVOL-UHFFFAOYSA-N 0 0 332.447 5.744 50 0 EKAARN O=C(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1F ZINC000015730169 564072634 /nfs/dbraw/zinc/07/26/34/564072634.db2.gz DOVJMPXLOBVYHS-UHFFFAOYSA-N 0 0 348.352 5.365 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000015730172 564072612 /nfs/dbraw/zinc/07/26/12/564072612.db2.gz PQLDIOTWZKEKTL-UHFFFAOYSA-N 0 0 344.389 5.535 50 0 EKAARN O=C(CC1CCCC1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000015730173 564072605 /nfs/dbraw/zinc/07/26/05/564072605.db2.gz RKDCDBFDYWEMNF-UHFFFAOYSA-N 0 0 336.410 5.493 50 0 EKAARN O=C(Cc1ccccc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000015730178 211846307 /nfs/dbraw/zinc/84/63/07/211846307.db2.gz LLAZVUDXLPUVHD-UHFFFAOYSA-N 0 0 344.389 5.155 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1C ZINC000015732310 564072681 /nfs/dbraw/zinc/07/26/81/564072681.db2.gz HMZMWYHUDSDOGJ-UHFFFAOYSA-N 0 0 346.455 5.561 50 0 EKAARN Cc1ccccc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733440 564072781 /nfs/dbraw/zinc/07/27/81/564072781.db2.gz KPQKWAXUIOWYBN-UHFFFAOYSA-N 0 0 342.398 5.291 50 0 EKAARN Cc1ccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733441 564072773 /nfs/dbraw/zinc/07/27/73/564072773.db2.gz CVJHPVGLOKYKSS-UHFFFAOYSA-N 0 0 342.398 5.291 50 0 EKAARN Fc1ccccc1COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733442 564072777 /nfs/dbraw/zinc/07/27/77/564072777.db2.gz DFGSWEMLWUYRBB-UHFFFAOYSA-N 0 0 346.361 5.122 50 0 EKAARN Cc1cccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733444 211847492 /nfs/dbraw/zinc/84/74/92/211847492.db2.gz PJISKJCCWQFZFW-UHFFFAOYSA-N 0 0 342.398 5.291 50 0 EKAARN Fc1ccc(COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733454 564072748 /nfs/dbraw/zinc/07/27/48/564072748.db2.gz YSDVFCGFJKBZLE-UHFFFAOYSA-N 0 0 346.361 5.122 50 0 EKAARN Cc1cccc([C@@H](CC(=O)Nc2ccccc2Cl)n2cccc2)c1 ZINC000015771265 211850751 /nfs/dbraw/zinc/85/07/51/211850751.db2.gz YJSUODXSPGUPJF-LJQANCHMSA-N 0 0 338.838 5.068 50 0 EKAARN Cc1cccc([C@H](CC(=O)Nc2ccccc2Cl)n2cccc2)c1 ZINC000015771267 211850367 /nfs/dbraw/zinc/85/03/67/211850367.db2.gz YJSUODXSPGUPJF-IBGZPJMESA-N 0 0 338.838 5.068 50 0 EKAARN Cc1cccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1 ZINC000015785135 564074437 /nfs/dbraw/zinc/07/44/37/564074437.db2.gz KXNFVWHJEOYLDD-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Cc1ccc(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1 ZINC000015785151 564074442 /nfs/dbraw/zinc/07/44/42/564074442.db2.gz MOITXTRIRKQWIE-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Fc1ccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1 ZINC000015823114 211855885 /nfs/dbraw/zinc/85/58/85/211855885.db2.gz ALKBEMJJMUPASR-UHFFFAOYSA-N 0 0 348.381 5.008 50 0 EKAARN Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)c1 ZINC000015823118 564075498 /nfs/dbraw/zinc/07/54/98/564075498.db2.gz KSPXSFSXVFRCAJ-UHFFFAOYSA-N 0 0 344.418 5.177 50 0 EKAARN CCOC(=O)c1cc(Nc2ccc(C)cc2)c2cc(Cl)ccc2n1 ZINC000015829183 211856880 /nfs/dbraw/zinc/85/68/80/211856880.db2.gz GNRHBJGWKJUSAO-UHFFFAOYSA-N 0 0 340.810 5.117 50 0 EKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1Cl ZINC000015831750 563793372 /nfs/dbraw/zinc/79/33/72/563793372.db2.gz CUTZSWGMJAHTIT-UHFFFAOYSA-N 0 0 345.851 5.146 50 0 EKAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1cccc(Cl)c1 ZINC000015831754 563793455 /nfs/dbraw/zinc/79/34/55/563793455.db2.gz ORCKGUDHJHPRIQ-UHFFFAOYSA-N 0 0 345.851 5.146 50 0 EKAARN O=C(Nc1ccccc1)N(Cc1cccs1)c1ccccc1Cl ZINC000015833095 563793693 /nfs/dbraw/zinc/79/36/93/563793693.db2.gz JODSKJZXTKPWMI-UHFFFAOYSA-N 0 0 342.851 5.640 50 0 EKAARN CCCCC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C ZINC000015833151 564076163 /nfs/dbraw/zinc/07/61/63/564076163.db2.gz BZUMOBBGXLDOIA-UHFFFAOYSA-N 0 0 342.826 5.585 50 0 EKAARN Cc1c(NC(=O)C(C)(C)C)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000015833152 211857196 /nfs/dbraw/zinc/85/71/96/211857196.db2.gz BUFUNLYILUFGQP-UHFFFAOYSA-N 0 0 342.826 5.441 50 0 EKAARN Cc1cccc(OCCSc2nc3ccccc3n2C(C)C)c1 ZINC000015833355 564076095 /nfs/dbraw/zinc/07/60/95/564076095.db2.gz VKMAHTRXDDDPAI-UHFFFAOYSA-N 0 0 326.465 5.097 50 0 EKAARN CCn1c2ccccc2nc1SCCOc1ccc(Cl)c(C)c1 ZINC000015833407 564076114 /nfs/dbraw/zinc/07/61/14/564076114.db2.gz JYFCKOSAZBOHCR-UHFFFAOYSA-N 0 0 346.883 5.189 50 0 EKAARN Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2n1 ZINC000015835297 563794106 /nfs/dbraw/zinc/79/41/06/563794106.db2.gz KZHAKEVLOKDNPD-INIZCTEOSA-N 0 0 348.446 5.073 50 0 EKAARN Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2n1 ZINC000015835299 563794077 /nfs/dbraw/zinc/79/40/77/563794077.db2.gz KZHAKEVLOKDNPD-MRXNPFEDSA-N 0 0 348.446 5.073 50 0 EKAARN CCCCCOc1ccc(C(=O)Nc2cccc3cccnc32)cc1 ZINC000015835410 563794069 /nfs/dbraw/zinc/79/40/69/563794069.db2.gz PCXCIUGPZKRCBZ-UHFFFAOYSA-N 0 0 334.419 5.056 50 0 EKAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc3cccnc32)c1 ZINC000015835447 563794098 /nfs/dbraw/zinc/79/40/98/563794098.db2.gz YBDIDUQLMJBXRM-INIZCTEOSA-N 0 0 348.446 5.073 50 0 EKAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc3cccnc32)c1 ZINC000015835449 518188484 /nfs/dbraw/zinc/18/84/84/518188484.db2.gz 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/nfs/dbraw/zinc/79/40/79/563794079.db2.gz LVQDZAKRVNULSR-LJQANCHMSA-N 0 0 340.492 5.213 50 0 EKAARN CCC(CC)C(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835616 563794083 /nfs/dbraw/zinc/79/40/83/563794083.db2.gz LVQDZAKRVNULSR-IBGZPJMESA-N 0 0 340.492 5.213 50 0 EKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000015835746 564076257 /nfs/dbraw/zinc/07/62/57/564076257.db2.gz JMGDEVSYPFEBNB-LJQANCHMSA-N 0 0 333.456 5.392 50 0 EKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1cccs1 ZINC000015835750 211858877 /nfs/dbraw/zinc/85/88/77/211858877.db2.gz JMGDEVSYPFEBNB-IBGZPJMESA-N 0 0 333.456 5.392 50 0 EKAARN CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000015836733 568420133 /nfs/dbraw/zinc/42/01/33/568420133.db2.gz ZFXIIWOZULUYDZ-GOSISDBHSA-N 0 0 345.870 5.084 50 0 EKAARN CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000015836736 568420099 /nfs/dbraw/zinc/42/00/99/568420099.db2.gz ZFXIIWOZULUYDZ-SFHVURJKSA-N 0 0 345.870 5.084 50 0 EKAARN Cc1cc2nc(NC(=O)Nc3cccc(Cl)c3C)sc2cc1C ZINC000015838081 211859173 /nfs/dbraw/zinc/85/91/73/211859173.db2.gz OWEOGGZNZMKESH-UHFFFAOYSA-N 0 0 345.855 5.519 50 0 EKAARN CC(C)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 ZINC000015838537 563794303 /nfs/dbraw/zinc/79/43/03/563794303.db2.gz TVYMOPZUSFXVHA-UHFFFAOYSA-N 0 0 339.822 5.392 50 0 EKAARN CCc1cccc(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 ZINC000015838569 563794896 /nfs/dbraw/zinc/79/48/96/563794896.db2.gz PQKVPLMQQUCUEC-UHFFFAOYSA-N 0 0 339.822 5.139 50 0 EKAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(Cl)c2)s1 ZINC000015840160 563795545 /nfs/dbraw/zinc/79/55/45/563795545.db2.gz QTDPBTAKRJQHCQ-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000015840730 519090092 /nfs/dbraw/zinc/09/00/92/519090092.db2.gz SEKRCQTVRHPCEI-UHFFFAOYSA-N 0 0 348.446 5.183 50 0 EKAARN Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(C(C)(C)C)cc1 ZINC000015841856 541304798 /nfs/dbraw/zinc/30/47/98/541304798.db2.gz CPBXJKSOUWAFJX-UHFFFAOYSA-N 0 0 344.458 5.044 50 0 EKAARN Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(C(C)(C)C)cc1)CC3 ZINC000015842020 564076677 /nfs/dbraw/zinc/07/66/77/564076677.db2.gz LAVZZUINAOCTSR-UHFFFAOYSA-N 0 0 344.458 5.044 50 0 EKAARN Cc1cccc(-c2cc(Nc3cccc(C(F)(F)F)c3)nc(C)n2)c1 ZINC000015859102 211861520 /nfs/dbraw/zinc/86/15/20/211861520.db2.gz SABGBKLUOWWXIP-UHFFFAOYSA-N 0 0 343.352 5.523 50 0 EKAARN CCCCc1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1 ZINC000015859118 564076844 /nfs/dbraw/zinc/07/68/44/564076844.db2.gz XBTCZAGEBOVIKN-UHFFFAOYSA-N 0 0 331.463 5.847 50 0 EKAARN Cc1ccc(-c2cc(Nc3ccccc3C(F)(F)F)nc(C)n2)cc1 ZINC000015859122 564076834 /nfs/dbraw/zinc/07/68/34/564076834.db2.gz UPWVLLXSAFFDGY-UHFFFAOYSA-N 0 0 343.352 5.523 50 0 EKAARN COc1ccc(Cl)cc1Nc1cc(-c2ccc(C)cc2)nc(C)n1 ZINC000015859123 564076845 /nfs/dbraw/zinc/07/68/45/564076845.db2.gz YRPCDKPSQPUACN-UHFFFAOYSA-N 0 0 339.826 5.166 50 0 EKAARN CCN(CC)c1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1 ZINC000015859135 564076823 /nfs/dbraw/zinc/07/68/23/564076823.db2.gz LOWFJIMGNRQBHE-UHFFFAOYSA-N 0 0 346.478 5.350 50 0 EKAARN Cc1ccc(-c2cc(Nc3cccc4cccnc43)nc(C)n2)cc1 ZINC000015859136 211861303 /nfs/dbraw/zinc/86/13/03/211861303.db2.gz NZVOPXOBXHQLKB-UHFFFAOYSA-N 0 0 326.403 5.052 50 0 EKAARN Cc1cccc(Cn2c3ccccc3nc2-c2ccc(C(C)C)cc2)c1 ZINC000015861454 564076948 /nfs/dbraw/zinc/07/69/48/564076948.db2.gz YBKTULWANZBVNG-UHFFFAOYSA-N 0 0 340.470 6.183 50 0 EKAARN CC(C)c1ccc(-c2nc3ccccc3n2Cc2cccc(F)c2)cc1 ZINC000015861457 564076976 /nfs/dbraw/zinc/07/69/76/564076976.db2.gz XSHFLAINJNBBHY-UHFFFAOYSA-N 0 0 344.433 6.014 50 0 EKAARN CC(C)c1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000015861460 211863561 /nfs/dbraw/zinc/86/35/61/211863561.db2.gz MODFECGFQSCTKB-UHFFFAOYSA-N 0 0 344.433 6.014 50 0 EKAARN Cc1ccc(-c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)o1 ZINC000015861468 201966164 /nfs/dbraw/zinc/96/61/64/201966164.db2.gz HLECICCYNIBTNR-UHFFFAOYSA-N 0 0 330.431 5.578 50 0 EKAARN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2Cl)o1 ZINC000015861476 564076949 /nfs/dbraw/zinc/07/69/49/564076949.db2.gz 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/nfs/dbraw/zinc/07/69/59/564076959.db2.gz PYUWBPLVBRWZSW-UHFFFAOYSA-N 0 0 348.918 5.800 50 0 EKAARN Cc1cccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)c1C ZINC000015861546 564076945 /nfs/dbraw/zinc/07/69/45/564076945.db2.gz ZPFRHHZIMCRITQ-UHFFFAOYSA-N 0 0 342.527 5.764 50 0 EKAARN COc1ccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)cc1 ZINC000015861550 211863471 /nfs/dbraw/zinc/86/34/71/211863471.db2.gz NRMKJOJMLLYCFE-UHFFFAOYSA-N 0 0 344.499 5.156 50 0 EKAARN Cc1cccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)c1 ZINC000015861554 211862853 /nfs/dbraw/zinc/86/28/53/211862853.db2.gz BOKYQKZGUBUQGC-UHFFFAOYSA-N 0 0 328.500 5.455 50 0 EKAARN CCc1ccccc1NC(=O)N1CCC(CC2CCC(C)CC2)CC1 ZINC000015861556 564076957 /nfs/dbraw/zinc/07/69/57/564076957.db2.gz RKOMCLAKRHMCER-UHFFFAOYSA-N 0 0 342.527 5.709 50 0 EKAARN Cc1ccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)cc1F ZINC000015861557 564076950 /nfs/dbraw/zinc/07/69/50/564076950.db2.gz NGFWJAHTSUDUSU-UHFFFAOYSA-N 0 0 346.490 5.594 50 0 EKAARN Cc1ccc(Cl)c(Oc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000015864810 211862973 /nfs/dbraw/zinc/86/29/73/211862973.db2.gz OIEOQQPPGZKGMV-UHFFFAOYSA-N 0 0 344.867 5.633 50 0 EKAARN O=C(Nc1cccc(F)c1)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015865708 564077162 /nfs/dbraw/zinc/07/71/62/564077162.db2.gz NTSRUUKMSHAGEE-UHFFFAOYSA-N 0 0 340.741 5.026 50 0 EKAARN Cc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 ZINC000015865735 564077169 /nfs/dbraw/zinc/07/71/69/564077169.db2.gz MNQCTOWEDLMCFO-UHFFFAOYSA-N 0 0 336.778 5.195 50 0 EKAARN Cc1nc2c3ccccc3oc2c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000015866531 564077203 /nfs/dbraw/zinc/07/72/03/564077203.db2.gz CTXUVNSWNAXZFG-UHFFFAOYSA-N 0 0 344.292 5.496 50 0 EKAARN CCOc1ccccc1Oc1nc(CC)nc2c3ccccc3oc21 ZINC000015866551 564077216 /nfs/dbraw/zinc/07/72/16/564077216.db2.gz SENRCPNELSAYPE-UHFFFAOYSA-N 0 0 334.375 5.129 50 0 EKAARN CCc1nc2c3ccccc3oc2c(Oc2ccc(F)cc2Cl)n1 ZINC000015866563 201968202 /nfs/dbraw/zinc/96/82/02/201968202.db2.gz QYQQCZTUTXWAKZ-UHFFFAOYSA-N 0 0 342.757 5.523 50 0 EKAARN CCOc1ccc(Oc2nc(CC)nc3c4ccccc4oc32)cc1 ZINC000015866565 564077195 /nfs/dbraw/zinc/07/71/95/564077195.db2.gz NWXVDGAZLNRJRZ-UHFFFAOYSA-N 0 0 334.375 5.129 50 0 EKAARN c1ccc(-c2nc3c4ccccc4oc3c(Oc3cccnc3)n2)cc1 ZINC000015866578 564077189 /nfs/dbraw/zinc/07/71/89/564077189.db2.gz DXXCTRAWYRQMSJ-UHFFFAOYSA-N 0 0 339.354 5.230 50 0 EKAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866879 563797889 /nfs/dbraw/zinc/79/78/89/563797889.db2.gz FRLRUQLXJOMXFX-INIZCTEOSA-N 0 0 338.373 5.154 50 0 EKAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866880 563797918 /nfs/dbraw/zinc/79/79/18/563797918.db2.gz FRLRUQLXJOMXFX-MRXNPFEDSA-N 0 0 338.373 5.154 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)c1 ZINC000015866963 211865151 /nfs/dbraw/zinc/86/51/51/211865151.db2.gz NHTSRFWWIFRBKA-QGZVFWFLSA-N 0 0 344.480 5.214 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)c1 ZINC000015866964 563798302 /nfs/dbraw/zinc/79/83/02/563798302.db2.gz NHTSRFWWIFRBKA-KRWDZBQOSA-N 0 0 344.480 5.214 50 0 EKAARN O=C(Nc1cccc(Cl)c1)N1CCCCC[C@@H]1c1cccs1 ZINC000015866965 563798280 /nfs/dbraw/zinc/79/82/80/563798280.db2.gz LZWPNZVETCCVIA-OAHLLOKOSA-N 0 0 334.872 5.551 50 0 EKAARN O=C(Nc1cccc(Cl)c1)N1CCCCC[C@H]1c1cccs1 ZINC000015866966 563798327 /nfs/dbraw/zinc/79/83/27/563798327.db2.gz LZWPNZVETCCVIA-HNNXBMFYSA-N 0 0 334.872 5.551 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)s1 ZINC000015866967 563798319 /nfs/dbraw/zinc/79/83/19/563798319.db2.gz ILWFEZYIJPIHSZ-INIZCTEOSA-N 0 0 348.899 5.859 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)s1 ZINC000015866968 563798236 /nfs/dbraw/zinc/79/82/36/563798236.db2.gz ILWFEZYIJPIHSZ-MRXNPFEDSA-N 0 0 348.899 5.859 50 0 EKAARN CCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 ZINC000015866969 563798331 /nfs/dbraw/zinc/79/83/31/563798331.db2.gz NYOGIJHWFWLAKC-QGZVFWFLSA-N 0 0 344.480 5.296 50 0 EKAARN CCOc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 ZINC000015866970 201967258 /nfs/dbraw/zinc/96/72/58/201967258.db2.gz NYOGIJHWFWLAKC-KRWDZBQOSA-N 0 0 344.480 5.296 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc1 ZINC000015866973 563798211 /nfs/dbraw/zinc/79/82/11/563798211.db2.gz RYTWMYUHRDMPFC-QGZVFWFLSA-N 0 0 328.481 5.460 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc1 ZINC000015866974 211864534 /nfs/dbraw/zinc/86/45/34/211864534.db2.gz RYTWMYUHRDMPFC-KRWDZBQOSA-N 0 0 328.481 5.460 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)s2)cc1 ZINC000015866975 563798309 /nfs/dbraw/zinc/79/83/09/563798309.db2.gz VTGRZLIKMWQEJM-GOSISDBHSA-N 0 0 342.508 5.768 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)s2)cc1 ZINC000015866976 563798284 /nfs/dbraw/zinc/79/82/84/563798284.db2.gz VTGRZLIKMWQEJM-SFHVURJKSA-N 0 0 342.508 5.768 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@@H]1c1cccs1 ZINC000015866977 563798288 /nfs/dbraw/zinc/79/82/88/563798288.db2.gz MNOYFIHUEULWSY-OAHLLOKOSA-N 0 0 334.872 5.551 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866978 201967703 /nfs/dbraw/zinc/96/77/03/201967703.db2.gz MNOYFIHUEULWSY-HNNXBMFYSA-N 0 0 334.872 5.551 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O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)c1ccccc1F ZINC000015868502 564077286 /nfs/dbraw/zinc/07/72/86/564077286.db2.gz WAODAIXTTSKTSP-UHFFFAOYSA-N 0 0 342.373 5.293 50 0 EKAARN O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)c1cccs1 ZINC000015868506 564077308 /nfs/dbraw/zinc/07/73/08/564077308.db2.gz UXXJKSZAIYTDCJ-UHFFFAOYSA-N 0 0 330.412 5.216 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(-c3ccc4ccccc4n3)cc2)cc1 ZINC000015868507 564077297 /nfs/dbraw/zinc/07/72/97/564077297.db2.gz KGMQECXWUHTLBX-UHFFFAOYSA-N 0 0 338.410 5.463 50 0 EKAARN O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)C1CCCCC1 ZINC000015868508 201967990 /nfs/dbraw/zinc/96/79/90/201967990.db2.gz WNCYRFFXIARGOF-UHFFFAOYSA-N 0 0 330.431 5.421 50 0 EKAARN O=C(Cc1cccs1)Nc1ccc(-c2ccc3ccccc3n2)cc1 ZINC000015868513 564077304 /nfs/dbraw/zinc/07/73/04/564077304.db2.gz CDPMBKQGBLXPKQ-UHFFFAOYSA-N 0 0 344.439 5.145 50 0 EKAARN O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000015868516 564077293 /nfs/dbraw/zinc/07/72/93/564077293.db2.gz WOWACZYCUZSVKO-UHFFFAOYSA-N 0 0 342.373 5.293 50 0 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/nfs/dbraw/zinc/80/43/10/563804310.db2.gz INODLQKPSMXPAZ-UXHICEINSA-N 0 0 347.458 5.095 50 0 EKAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C ZINC000016138640 211886510 /nfs/dbraw/zinc/88/65/10/211886510.db2.gz INODLQKPSMXPAZ-PMACEKPBSA-N 0 0 347.458 5.095 50 0 EKAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C ZINC000016138642 563804332 /nfs/dbraw/zinc/80/43/32/563804332.db2.gz INODLQKPSMXPAZ-WOJBJXKFSA-N 0 0 347.458 5.095 50 0 EKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)C1(C)C ZINC000016138644 563804393 /nfs/dbraw/zinc/80/43/93/563804393.db2.gz INODLQKPSMXPAZ-VQTJNVASSA-N 0 0 347.458 5.095 50 0 EKAARN COc1ccc(/C=C(/C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000016156266 563804816 /nfs/dbraw/zinc/80/48/16/563804816.db2.gz FYZWCOYIICPFRI-RCCKNPSSSA-N 0 0 347.389 5.014 50 0 EKAARN O=C(NC1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000016156560 563804835 /nfs/dbraw/zinc/80/48/35/563804835.db2.gz XYQLAMINEPFSPJ-XDJHFCHBSA-N 0 0 339.866 5.330 50 0 EKAARN CCOc1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000016182802 563805171 /nfs/dbraw/zinc/80/51/71/563805171.db2.gz JFZSVQUSMRBJDF-UHFFFAOYSA-N 0 0 341.263 5.201 50 0 EKAARN Cc1ccc(Cl)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000016185486 563805574 /nfs/dbraw/zinc/80/55/74/563805574.db2.gz WIAFFUVTBARZQK-UHFFFAOYSA-N 0 0 344.789 5.476 50 0 EKAARN Fc1ccccc1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016191226 563805678 /nfs/dbraw/zinc/80/56/78/563805678.db2.gz VODYSLSYKNHKMN-UHFFFAOYSA-N 0 0 348.752 5.307 50 0 EKAARN S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl ZINC000016212129 563806034 /nfs/dbraw/zinc/80/60/34/563806034.db2.gz SBMGXHALQHRLKP-UHFFFAOYSA-N 0 0 331.655 5.456 50 0 EKAARN FC(F)(F)c1cccc(NC(=S)Nc2ccccc2Cl)c1 ZINC000016212644 563805952 /nfs/dbraw/zinc/80/59/52/563805952.db2.gz JKQVMFHBHLKJPJ-UHFFFAOYSA-N 0 0 330.762 5.168 50 0 EKAARN S=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016215084 563805974 /nfs/dbraw/zinc/80/59/74/563805974.db2.gz PLACAMIEGDOEOR-UHFFFAOYSA-N 0 0 331.655 5.456 50 0 EKAARN COc1ccc(-c2ccnc(-c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000016217449 563806038 /nfs/dbraw/zinc/80/60/38/563806038.db2.gz DDODZIDUXXKKPO-UHFFFAOYSA-N 0 0 331.202 5.126 50 0 EKAARN Fc1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000016221336 563805961 /nfs/dbraw/zinc/80/59/61/563805961.db2.gz GZUKYGCLPZMXSK-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000016221597 211890909 /nfs/dbraw/zinc/89/09/09/211890909.db2.gz VGYNNFOLVFRIDU-UHFFFAOYSA-N 0 0 345.682 5.764 50 0 EKAARN FC(F)(F)c1ccc(NC(=S)Nc2ccccc2Cl)cc1 ZINC000016237487 211891252 /nfs/dbraw/zinc/89/12/52/211891252.db2.gz IKNYGQIDDSMGIZ-UHFFFAOYSA-N 0 0 330.762 5.168 50 0 EKAARN CCCOc1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000016247927 563806705 /nfs/dbraw/zinc/80/67/05/563806705.db2.gz LQRTVSNMLJKQSE-UHFFFAOYSA-N 0 0 342.442 5.540 50 0 EKAARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2C2CCC(C(C)(C)C)CC2)c1 ZINC000016269164 211891911 /nfs/dbraw/zinc/89/19/11/211891911.db2.gz HIVWQKJTDWITDM-LBXVMSDZSA-N 0 0 345.552 5.562 50 0 EKAARN Cc1cc(C)cc(N2C(=O)CS[C@H]2C2CCC(C(C)(C)C)CC2)c1 ZINC000016269167 564081208 /nfs/dbraw/zinc/08/12/08/564081208.db2.gz HIVWQKJTDWITDM-UHYCVJNDSA-N 0 0 345.552 5.562 50 0 EKAARN Cc1cc(Br)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000016282576 563807736 /nfs/dbraw/zinc/80/77/36/563807736.db2.gz ZHFORTCZSCLLHY-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1C ZINC000016312505 563808402 /nfs/dbraw/zinc/80/84/02/563808402.db2.gz VXZCDZGEGLAMNK-UHFFFAOYSA-N 0 0 347.483 5.848 50 0 EKAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000016322390 258056616 /nfs/dbraw/zinc/05/66/16/258056616.db2.gz YQIMHKJDXMUKEU-SECBINFHSA-N 0 0 344.238 5.252 50 0 EKAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000016322392 258056622 /nfs/dbraw/zinc/05/66/22/258056622.db2.gz YQIMHKJDXMUKEU-VIFPVBQESA-N 0 0 344.238 5.252 50 0 EKAARN C[C@]12CC3CC(C(=O)Nc4nc5ccccc5s4)(C1)C[C@@](C)(C3)C2 ZINC000016347102 211896491 /nfs/dbraw/zinc/89/64/91/211896491.db2.gz AWXOMXZGBCOYRJ-GOSFSIBNSA-N 0 0 340.492 5.231 50 0 EKAARN O=C(CCNc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016428622 564086638 /nfs/dbraw/zinc/08/66/38/564086638.db2.gz MNFLYTYWMSTADO-UHFFFAOYSA-N 0 0 328.626 5.332 50 0 EKAARN Clc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1 ZINC000016477808 563812454 /nfs/dbraw/zinc/81/24/54/563812454.db2.gz IZBVOPUJRPTBEI-UHFFFAOYSA-N 0 0 342.269 5.873 50 0 EKAARN c1ccc(C(Sc2cccc3cccnc32)c2ccccc2)cc1 ZINC000016477832 563812478 /nfs/dbraw/zinc/81/24/78/563812478.db2.gz RPZNKOUZZRDHBV-UHFFFAOYSA-N 0 0 327.452 6.117 50 0 EKAARN Clc1ccccc1CNCc1ccccc1OCc1ccccc1 ZINC000016480793 563812756 /nfs/dbraw/zinc/81/27/56/563812756.db2.gz BELGJRBINFFVGU-UHFFFAOYSA-N 0 0 337.850 5.209 50 0 EKAARN O=C(c1ccccc1SCc1ccccc1)N1CCc2ccccc21 ZINC000016480868 563812695 /nfs/dbraw/zinc/81/26/95/563812695.db2.gz OQFJIPNHSNEIGZ-UHFFFAOYSA-N 0 0 345.467 5.182 50 0 EKAARN c1ccc(-c2nc(SC[C@H]3CCCO3)oc2-c2ccccc2)cc1 ZINC000016492178 563813610 /nfs/dbraw/zinc/81/36/10/563813610.db2.gz YLVVDOZLECTXCK-QGZVFWFLSA-N 0 0 337.444 5.280 50 0 EKAARN c1ccc(-c2nc(SC[C@@H]3CCCO3)oc2-c2ccccc2)cc1 ZINC000016492182 563813564 /nfs/dbraw/zinc/81/35/64/563813564.db2.gz YLVVDOZLECTXCK-KRWDZBQOSA-N 0 0 337.444 5.280 50 0 EKAARN c1ccc(-c2nc(SCc3ccncc3)oc2-c2ccccc2)cc1 ZINC000016492237 563813532 /nfs/dbraw/zinc/81/35/32/563813532.db2.gz NNPQGVXERCCLIK-UHFFFAOYSA-N 0 0 344.439 5.696 50 0 EKAARN Fc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000016493573 564089269 /nfs/dbraw/zinc/08/92/69/564089269.db2.gz XDQVIMBEZMUGQY-IBGZPJMESA-N 0 0 345.377 5.077 50 0 EKAARN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000016493577 564089271 /nfs/dbraw/zinc/08/92/71/564089271.db2.gz XDQVIMBEZMUGQY-LJQANCHMSA-N 0 0 345.377 5.077 50 0 EKAARN Cc1cccc(Nc2nc3ccccc3nc2Nc2cccc(C)c2)c1 ZINC000016512444 563814026 /nfs/dbraw/zinc/81/40/26/563814026.db2.gz WIMJWYKJGMYYNS-UHFFFAOYSA-N 0 0 340.430 5.734 50 0 EKAARN C[C@]12CC3CC(NC(=O)SCc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000016513632 211911134 /nfs/dbraw/zinc/91/11/34/211911134.db2.gz HUMBDKZHMBXJRY-JUNHRQJPSA-N 0 0 329.509 5.378 50 0 EKAARN CCc1ccc2c(Cl)c(C(=O)Nc3nc(C)cs3)sc2c1 ZINC000016603433 563816420 /nfs/dbraw/zinc/81/64/20/563816420.db2.gz JBSKERLDQHTERB-UHFFFAOYSA-N 0 0 336.869 5.134 50 0 EKAARN Cc1sc(NC(=O)Cc2cccs2)nc1-c1cccc(Cl)c1 ZINC000016603473 563816313 /nfs/dbraw/zinc/81/63/13/563816313.db2.gz SNUFVUYRSQSGHR-UHFFFAOYSA-N 0 0 348.880 5.015 50 0 EKAARN Cc1sc(NC(=O)c2ccccc2F)nc1-c1cc(C)ccc1C ZINC000016603735 563816616 /nfs/dbraw/zinc/81/66/16/563816616.db2.gz SNSBVDVLHNXGBP-UHFFFAOYSA-N 0 0 340.423 5.127 50 0 EKAARN CCc1ccc2c(c1)sc(C(=O)N[C@@H](C)c1ccncc1)c2Cl ZINC000016604917 563816959 /nfs/dbraw/zinc/81/69/59/563816959.db2.gz PXJSRCUOPYYSGW-NSHDSACASA-N 0 0 344.867 5.003 50 0 EKAARN CCc1ccc2c(c1)sc(C(=O)N[C@H](C)c1ccncc1)c2Cl ZINC000016604919 563817097 /nfs/dbraw/zinc/81/70/97/563817097.db2.gz PXJSRCUOPYYSGW-LLVKDONJSA-N 0 0 344.867 5.003 50 0 EKAARN COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@H]23)c1 ZINC000016608744 563966507 /nfs/dbraw/zinc/96/65/07/563966507.db2.gz YNTBOVIYSGWPEU-FJTGNWTPSA-N 0 0 342.523 6.045 50 0 EKAARN CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000016609980 564087280 /nfs/dbraw/zinc/08/72/80/564087280.db2.gz SFRPDSKECHTFQA-ONOWFSFQSA-N 0 0 342.523 6.471 50 0 in-man EKAARN O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)c1cccs1 ZINC000016622815 563817677 /nfs/dbraw/zinc/81/76/77/563817677.db2.gz IIFXTSBTVOIPJZ-UHFFFAOYSA-N 0 0 346.864 5.200 50 0 EKAARN Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000016652037 564091423 /nfs/dbraw/zinc/09/14/23/564091423.db2.gz CXVIDGGMNLBIKW-QGTPRVQTSA-N 0 0 344.252 5.002 50 0 EKAARN COc1cccc2c(C)cc(NCc3cccc(C(F)(F)F)c3)nc12 ZINC000016667877 563918034 /nfs/dbraw/zinc/91/80/34/563918034.db2.gz OWYJLULZWZMQKG-UHFFFAOYSA-N 0 0 346.352 5.183 50 0 EKAARN COc1cccc2c(C)cc(NCc3cccc4ccccc43)nc12 ZINC000016667943 563819714 /nfs/dbraw/zinc/81/97/14/563819714.db2.gz CGFVYXQLBSLRCO-UHFFFAOYSA-N 0 0 328.415 5.317 50 0 EKAARN Cc1cc(NCCc2c[nH]c3ccccc23)nc2cc(Cl)ccc12 ZINC000016667983 563917987 /nfs/dbraw/zinc/91/79/87/563917987.db2.gz HMDYKUFFWUHULR-UHFFFAOYSA-N 0 0 335.838 5.333 50 0 EKAARN c1coc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)c1 ZINC000016671171 563820169 /nfs/dbraw/zinc/82/01/69/563820169.db2.gz IMYNKGMWQLHDJP-UHFFFAOYSA-N 0 0 336.394 6.157 50 0 EKAARN CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1Cl ZINC000016672041 563820235 /nfs/dbraw/zinc/82/02/35/563820235.db2.gz TUYROJGQTNYLSM-JZJYNLBNSA-N 0 0 349.286 5.776 50 0 EKAARN CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1Cl ZINC000016672101 563820141 /nfs/dbraw/zinc/82/01/41/563820141.db2.gz WYDZCEKGZXEYLB-ZZEZOPTASA-N 0 0 328.868 5.431 50 0 EKAARN Cc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(Cl)c2)c1 ZINC000016689860 563820707 /nfs/dbraw/zinc/82/07/07/563820707.db2.gz PLWGLEXFOKYMLL-UHFFFAOYSA-N 0 0 341.842 5.188 50 0 EKAARN Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 ZINC000016697216 563821464 /nfs/dbraw/zinc/82/14/64/563821464.db2.gz DXRLALXPCIOIDK-UHFFFAOYSA-N 0 0 349.231 5.455 50 0 EKAARN CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000016711481 563821481 /nfs/dbraw/zinc/82/14/81/563821481.db2.gz CCWWJOFXZBVECC-ZZEZOPTASA-N 0 0 328.868 5.431 50 0 EKAARN O=C(Sc1ccc(Cl)cc1)c1ccccc1Br ZINC000016713868 211931316 /nfs/dbraw/zinc/93/13/16/211931316.db2.gz AKIIIDNLWNRDCZ-UHFFFAOYSA-N 0 0 327.630 5.035 50 0 EKAARN c1csc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)c1 ZINC000016740118 563821809 /nfs/dbraw/zinc/82/18/09/563821809.db2.gz YHCWLODAGQQOPJ-QZQOTICOSA-N 0 0 348.496 5.368 50 0 EKAARN COc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000016741622 563822129 /nfs/dbraw/zinc/82/21/29/563822129.db2.gz HEKXMMHKGUZBGH-UHFFFAOYSA-N 0 0 336.243 5.793 50 0 EKAARN CCn1c(-c2ccc(OC)c(Cl)c2)cs/c1=N\c1ccccc1 ZINC000016741623 211933114 /nfs/dbraw/zinc/93/31/14/211933114.db2.gz NFTSFVJXRTVRJL-ZZEZOPTASA-N 0 0 344.867 5.131 50 0 EKAARN COC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000016742306 563822117 /nfs/dbraw/zinc/82/21/17/563822117.db2.gz IOUMMFHEACZXFM-UHFFFAOYSA-N 0 0 344.823 5.309 50 0 EKAARN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1 ZINC000016750180 563822550 /nfs/dbraw/zinc/82/25/50/563822550.db2.gz BEZFJDHVOLYTGY-UHFFFAOYSA-N 0 0 339.822 5.084 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3cccc(C(F)(F)F)c3)coc2c1C ZINC000016751730 563822560 /nfs/dbraw/zinc/82/25/60/563822560.db2.gz YBBULSPUDUDUIX-UHFFFAOYSA-N 0 0 347.336 5.250 50 0 EKAARN CCCOc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000016752481 211933142 /nfs/dbraw/zinc/93/31/42/211933142.db2.gz TWRLDIKUQRKROW-UHFFFAOYSA-N 0 0 329.852 5.919 50 0 EKAARN CCc1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000016752755 211933294 /nfs/dbraw/zinc/93/32/94/211933294.db2.gz GEOQVBQFNDKYAV-UHFFFAOYSA-N 0 0 347.336 5.195 50 0 EKAARN C[C@]12CC3CC(C(=O)Nc4ccc(F)c(Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000016778663 564113317 /nfs/dbraw/zinc/11/33/17/564113317.db2.gz FJXXGHFQTINOEJ-CMXJYWLISA-N 0 0 335.850 5.414 50 0 EKAARN Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C ZINC000016780645 563824146 /nfs/dbraw/zinc/82/41/46/563824146.db2.gz CJLHHMYPVNOFLB-UHFFFAOYSA-N 0 0 343.492 5.152 50 0 EKAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2F)o1 ZINC000016789761 563824098 /nfs/dbraw/zinc/82/40/98/563824098.db2.gz JTDZSOWQCUKCFB-UHFFFAOYSA-N 0 0 349.283 5.357 50 0 EKAARN Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2cc(C)cc(C)c12 ZINC000016806279 563824142 /nfs/dbraw/zinc/82/41/42/563824142.db2.gz VNQUTMPIXGSCFZ-UHFFFAOYSA-N 0 0 348.229 5.917 50 0 EKAARN Cc1ccc(C)c(CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000016842534 564113791 /nfs/dbraw/zinc/11/37/91/564113791.db2.gz HUWWREPDGBQCHS-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN C=Cc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000016842543 564113800 /nfs/dbraw/zinc/11/38/00/564113800.db2.gz WVBMABNXCHFOHA-UHFFFAOYSA-N 0 0 343.455 5.332 50 0 EKAARN Cc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 ZINC000016842547 564113817 /nfs/dbraw/zinc/11/38/17/564113817.db2.gz MXYPLOONIXXCOM-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1ccc(CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 ZINC000016842549 564113795 /nfs/dbraw/zinc/11/37/95/564113795.db2.gz 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HVXHVHIYLVCCMF-UHFFFAOYSA-N 0 0 332.794 5.089 50 0 EKAARN S=c1sc2c(s1)S[C@H]1c3cccc4cccc(c34)[C@H]1S2 ZINC000016949818 211942617 /nfs/dbraw/zinc/94/26/17/211942617.db2.gz VCDYMDDSSVANBS-TXEJJXNPSA-N 0 0 348.564 6.686 50 0 EKAARN O=c1sc2c(s1)S[C@H]1c3cccc4cccc(c34)[C@H]1S2 ZINC000016949820 563977577 /nfs/dbraw/zinc/97/75/77/563977577.db2.gz BFVWEFRRTXRJEZ-TXEJJXNPSA-N 0 0 332.496 5.317 50 0 EKAARN Oc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000016972014 211944006 /nfs/dbraw/zinc/94/40/06/211944006.db2.gz KDDWQFJXPJWPKC-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000016972262 563827631 /nfs/dbraw/zinc/82/76/31/563827631.db2.gz ZGNLATXGUPVVDZ-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1 ZINC000016994622 563828052 /nfs/dbraw/zinc/82/80/52/563828052.db2.gz ZNYXMHKDFWDUDJ-UHFFFAOYSA-N 0 0 334.400 5.117 50 0 EKAARN Clc1ccc(C2=N[C@H](c3ccccc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000016999111 563828375 /nfs/dbraw/zinc/82/83/75/563828375.db2.gz JTMWJVWEVLMMNX-QYGYTYJESA-N 0 0 344.845 5.267 50 0 EKAARN C(=C\c1nc(-c2ccccc2)cc(-c2ccccc2)n1)\c1ccccc1 ZINC000016999245 211945509 /nfs/dbraw/zinc/94/55/09/211945509.db2.gz FQVJZPZIGPNRKC-MSUUIHNZSA-N 0 0 334.422 5.981 50 0 EKAARN C1=C[C@H]2[C@@H]1C1(Cc3ccccc3)N=NC2(Cc2ccccc2)[C@H]2C=C[C@H]21 ZINC000017003886 564076146 /nfs/dbraw/zinc/07/61/46/564076146.db2.gz OVPRGOYKNGAKIF-ARRLCGBJSA-N 0 0 338.454 5.033 50 0 EKAARN Cc1ccc(C)c(COc2cccc3ccc(N4CCCCC4)nc32)c1 ZINC000017026153 564116223 /nfs/dbraw/zinc/11/62/23/564116223.db2.gz CBAHGXLGYDGHKT-UHFFFAOYSA-N 0 0 346.474 5.421 50 0 EKAARN Cc1ccc(-c2nc3ccccc3c(Nc3ccc(O)cc3)n2)cc1 ZINC000017027364 563829381 /nfs/dbraw/zinc/82/93/81/563829381.db2.gz VIYGZDDBHHYBES-UHFFFAOYSA-N 0 0 327.387 5.054 50 0 EKAARN O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccc(Cl)cc1 ZINC000017028247 563829371 /nfs/dbraw/zinc/82/93/71/563829371.db2.gz GSJUUPQLRIDLIX-UHFFFAOYSA-N 0 0 329.812 5.108 50 0 EKAARN Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000017028949 201983455 /nfs/dbraw/zinc/98/34/55/201983455.db2.gz JIHMXMYYDPMAMI-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN Cc1ccc(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000017041927 564116260 /nfs/dbraw/zinc/11/62/60/564116260.db2.gz QVJTYVDXKUCHHO-UHFFFAOYSA-N 0 0 331.419 5.171 50 0 EKAARN CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O ZINC000017042869 563829748 /nfs/dbraw/zinc/82/97/48/563829748.db2.gz WBDPSYDYYOULLK-LCYFTJDESA-N 0 0 349.521 5.316 50 0 EKAARN Cc1cccc(-c2nc3ccccc3c(Nc3cccc(O)c3)n2)c1 ZINC000017043363 563829733 /nfs/dbraw/zinc/82/97/33/563829733.db2.gz PFVSCOOEHXKMTE-UHFFFAOYSA-N 0 0 327.387 5.054 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(C)c1 ZINC000017066807 563831089 /nfs/dbraw/zinc/83/10/89/563831089.db2.gz IQSHFUDJBPZMEU-UHFFFAOYSA-N 0 0 326.440 5.254 50 0 EKAARN CCc1ccc(NC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000017066810 211948505 /nfs/dbraw/zinc/94/85/05/211948505.db2.gz BLXNKUMMJPANRH-UHFFFAOYSA-N 0 0 326.440 5.199 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1C ZINC000017066812 563831171 /nfs/dbraw/zinc/83/11/71/563831171.db2.gz REMSTODOBZMNNR-UHFFFAOYSA-N 0 0 326.440 5.254 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=S)NCc1ccccc1 ZINC000017066875 563831073 /nfs/dbraw/zinc/83/10/73/563831073.db2.gz DWHOAYJEZAPYMO-UHFFFAOYSA-N 0 0 326.509 5.420 50 0 EKAARN CCCc1ccc([C@@H](C)NC(=S)Nc2ccccc2CC)cc1 ZINC000017066877 563831115 /nfs/dbraw/zinc/83/11/15/563831115.db2.gz ITINIOXJVOZSGJ-OAHLLOKOSA-N 0 0 326.509 5.249 50 0 EKAARN CCCc1ccc([C@H](C)NC(=S)Nc2ccccc2CC)cc1 ZINC000017066879 211948698 /nfs/dbraw/zinc/94/86/98/211948698.db2.gz ITINIOXJVOZSGJ-HNNXBMFYSA-N 0 0 326.509 5.249 50 0 EKAARN C[C@@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000017067180 564116324 /nfs/dbraw/zinc/11/63/24/564116324.db2.gz OWXICJFKLWKQCY-SECBINFHSA-N 0 0 328.264 5.223 50 0 EKAARN C[C@H]1CCCCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000017067182 201984104 /nfs/dbraw/zinc/98/41/04/201984104.db2.gz OWXICJFKLWKQCY-VIFPVBQESA-N 0 0 328.264 5.223 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc(C)cc1 ZINC000017067350 563831318 /nfs/dbraw/zinc/83/13/18/563831318.db2.gz DNFPKTYENPDLBR-UHFFFAOYSA-N 0 0 328.481 5.110 50 0 EKAARN Cc1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017067384 563831644 /nfs/dbraw/zinc/83/16/44/563831644.db2.gz JXJJOHNSRAZZSG-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000017067385 563831733 /nfs/dbraw/zinc/83/17/33/563831733.db2.gz HWNDAKGHLIZBLF-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000017067605 563831677 /nfs/dbraw/zinc/83/16/77/563831677.db2.gz STOPESXZDKNIFM-UHFFFAOYSA-N 0 0 329.614 5.599 50 0 EKAARN CCc1nnc(SCc2c(Cl)cccc2Cl)n1C(C)C ZINC000017067634 563831628 /nfs/dbraw/zinc/83/16/28/563831628.db2.gz JUEWOCSFCNUTJU-UHFFFAOYSA-N 0 0 330.284 5.021 50 0 EKAARN CCc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000017067807 563831637 /nfs/dbraw/zinc/83/16/37/563831637.db2.gz YFAHFLZLZMHIPA-UHFFFAOYSA-N 0 0 330.431 5.160 50 0 EKAARN Cc1ccccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000017067809 563831685 /nfs/dbraw/zinc/83/16/85/563831685.db2.gz YMEBJDUJFQLXEE-UHFFFAOYSA-N 0 0 330.431 5.229 50 0 EKAARN FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000017067895 563832060 /nfs/dbraw/zinc/83/20/60/563832060.db2.gz JTSPQCNIUCURES-UHFFFAOYSA-N 0 0 330.762 5.168 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000017067931 563831978 /nfs/dbraw/zinc/83/19/78/563831978.db2.gz QCIQQTHFKAAYSZ-CQSZACIVSA-N 0 0 330.859 5.655 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000017067933 563832016 /nfs/dbraw/zinc/83/20/16/563832016.db2.gz QCIQQTHFKAAYSZ-AWEZNQCLSA-N 0 0 330.859 5.655 50 0 EKAARN O=C(Nc1cccc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017068467 211949530 /nfs/dbraw/zinc/94/95/30/211949530.db2.gz KJIBDUUIRRAAQS-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017068468 563832446 /nfs/dbraw/zinc/83/24/46/563832446.db2.gz SARZLOZNFCQDGW-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN C[C@@H](NC(=O)Nc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000017068484 563832408 /nfs/dbraw/zinc/83/24/08/563832408.db2.gz VACRUVVHKJBPDY-XUXNNNHQSA-N 0 0 332.875 5.066 50 0 EKAARN Fc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1F ZINC000017068498 564116356 /nfs/dbraw/zinc/11/63/56/564116356.db2.gz HENKVBUDOQDRDP-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN Fc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c(F)c1 ZINC000017068500 211949263 /nfs/dbraw/zinc/94/92/63/211949263.db2.gz GSVPCJYCAIMNJB-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN Fc1ccc(F)c(NC(=S)Nc2cccc(Cl)c2Cl)c1 ZINC000017068501 563832427 /nfs/dbraw/zinc/83/24/27/563832427.db2.gz BHRDYPLXYMUESF-UHFFFAOYSA-N 0 0 333.190 5.081 50 0 EKAARN CCCCN(CCCC)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000017068528 563832405 /nfs/dbraw/zinc/83/24/05/563832405.db2.gz VEIDBZQIMBDRLM-UHFFFAOYSA-N 0 0 333.328 5.592 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000017068541 211950716 /nfs/dbraw/zinc/95/07/16/211950716.db2.gz ARBZCFFHLTYJRF-UHFFFAOYSA-N 0 0 333.357 5.226 50 0 EKAARN CC1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 ZINC000017068698 563832360 /nfs/dbraw/zinc/83/23/60/563832360.db2.gz IAUJZVNUESZESW-SIWZUTFBSA-N 0 0 333.541 5.208 50 0 EKAARN CC1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000017068700 563832716 /nfs/dbraw/zinc/83/27/16/563832716.db2.gz IAUJZVNUESZESW-OGVSOVDVSA-N 0 0 333.541 5.208 50 0 EKAARN Cn1nc(C2CC2)c2c1nc(-c1ccc(Cl)cc1)cc2C(F)F ZINC000017068715 563832685 /nfs/dbraw/zinc/83/26/85/563832685.db2.gz NYWRTHORNIMPDC-UHFFFAOYSA-N 0 0 333.769 5.104 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(C)s1)cc2C(F)F ZINC000017070631 563833253 /nfs/dbraw/zinc/83/32/53/563833253.db2.gz XFOMOMNPTVJOGW-UHFFFAOYSA-N 0 0 335.423 5.514 50 0 EKAARN Cc1ccc(OC(F)F)c(NC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000017070712 211951028 /nfs/dbraw/zinc/95/10/28/211951028.db2.gz VAFFQDOSYVJQHK-UHFFFAOYSA-N 0 0 336.407 5.022 50 0 EKAARN Cc1cc(C)cc(N2C(=S)N=NC2c2csc3ccccc32)c1 ZINC000017070944 563833506 /nfs/dbraw/zinc/83/35/06/563833506.db2.gz BLFZQOALYDYPGD-UHFFFAOYSA-N 0 0 337.473 5.055 50 0 EKAARN Cc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)cs1 ZINC000017070945 563833463 /nfs/dbraw/zinc/83/34/63/563833463.db2.gz ICZYAKWWQKETLN-UHFFFAOYSA-N 0 0 337.473 5.287 50 0 EKAARN CC[C@@H](C)N(C(=O)c1sc2cc(C)ccc2c1Cl)[C@@H](C)CC ZINC000017070962 563833900 /nfs/dbraw/zinc/83/39/00/563833900.db2.gz GXVRCFIRUGODRY-BETUJISGSA-N 0 0 337.916 5.902 50 0 EKAARN CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000017070992 563833844 /nfs/dbraw/zinc/83/38/44/563833844.db2.gz PZAJTKWJPFDWRN-OAHLLOKOSA-N 0 0 338.398 5.143 50 0 EKAARN CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000017070993 211951637 /nfs/dbraw/zinc/95/16/37/211951637.db2.gz PZAJTKWJPFDWRN-HNNXBMFYSA-N 0 0 338.398 5.143 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000017071030 563834017 /nfs/dbraw/zinc/83/40/17/563834017.db2.gz WURLMRYUCSIWSP-UHFFFAOYSA-N 0 0 338.454 6.132 50 0 EKAARN Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2ccccc2)n1 ZINC000017071031 563833971 /nfs/dbraw/zinc/83/39/71/563833971.db2.gz OCJUYDRVYGUELD-UHFFFAOYSA-N 0 0 338.454 5.882 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccccc3)n2)cc1 ZINC000017071033 211951325 /nfs/dbraw/zinc/95/13/25/211951325.db2.gz BMIACWRPVMWMHT-UHFFFAOYSA-N 0 0 338.454 5.882 50 0 EKAARN Cc1cccc(-c2nc(CSc3nc4ccccc4o3)cs2)c1 ZINC000017071037 563834021 /nfs/dbraw/zinc/83/40/21/563834021.db2.gz KWRAYBJWFUFZAF-UHFFFAOYSA-N 0 0 338.457 5.552 50 0 EKAARN CCc1c(C)scc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000017071072 563833967 /nfs/dbraw/zinc/83/39/67/563833967.db2.gz JFCIRQYDXXZBDH-UHFFFAOYSA-N 0 0 339.247 5.643 50 0 EKAARN CCc1c(C)scc1-c1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000017071073 563833944 /nfs/dbraw/zinc/83/39/44/563833944.db2.gz ZWWWJFJIPIOBOY-UHFFFAOYSA-N 0 0 339.247 5.643 50 0 EKAARN Cc1cc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000017071074 563833888 /nfs/dbraw/zinc/83/38/88/563833888.db2.gz MSBLBUUWRWVBGQ-UHFFFAOYSA-N 0 0 339.291 5.728 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1Br ZINC000017071159 563834032 /nfs/dbraw/zinc/83/40/32/563834032.db2.gz BUHQBWNTKJWBGV-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1 ZINC000017071160 563834209 /nfs/dbraw/zinc/83/42/09/563834209.db2.gz WMMFBBKZYIGUKS-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=S)NCCc1ccccc1 ZINC000017071305 563834191 /nfs/dbraw/zinc/83/41/91/563834191.db2.gz LZPCWAUDSAFMOB-UHFFFAOYSA-N 0 0 340.536 5.463 50 0 EKAARN CCc1c(C)scc1-c1nnc(-c2cc(F)c(F)cc2Cl)o1 ZINC000017071316 211951954 /nfs/dbraw/zinc/95/19/54/211951954.db2.gz IFJGSVAUUSZRTN-UHFFFAOYSA-N 0 0 340.782 5.268 50 0 EKAARN Cc1ccc(-c2nn(C)c(-c3ccc(C)cc3)c2Br)cc1 ZINC000017071343 563834184 /nfs/dbraw/zinc/83/41/84/563834184.db2.gz GRLHLAGKZZOKPQ-UHFFFAOYSA-N 0 0 341.252 5.133 50 0 EKAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000017071499 563834604 /nfs/dbraw/zinc/83/46/04/563834604.db2.gz YDCXGDQXCVNQGE-AOOOYVTPSA-N 0 0 342.291 5.611 50 0 EKAARN CC(C)n1c(SCc2c(Cl)cccc2Cl)nnc1C1CC1 ZINC000017071500 563834609 /nfs/dbraw/zinc/83/46/09/563834609.db2.gz MVUGJPPPKFCFNW-UHFFFAOYSA-N 0 0 342.295 5.336 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000017071525 563834525 /nfs/dbraw/zinc/83/45/25/563834525.db2.gz MOWPSZBPEBEYRI-UHFFFAOYSA-N 0 0 342.417 5.962 50 0 EKAARN CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000017071541 563834554 /nfs/dbraw/zinc/83/45/54/563834554.db2.gz SXOYSBXRDZLLKS-UHFFFAOYSA-N 0 0 342.439 5.035 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=S)N[C@@H](C)c1ccccc1 ZINC000017071601 211952204 /nfs/dbraw/zinc/95/22/04/211952204.db2.gz QACQZPURBOPCMX-AWEZNQCLSA-N 0 0 342.508 5.040 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=S)N[C@H](C)c1ccccc1 ZINC000017071602 211952068 /nfs/dbraw/zinc/95/20/68/211952068.db2.gz QACQZPURBOPCMX-CQSZACIVSA-N 0 0 342.508 5.040 50 0 EKAARN CC(C)c1ccc(NC(=S)N(C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017071605 563834963 /nfs/dbraw/zinc/83/49/63/563834963.db2.gz VEOCFJPLNVIBPM-UHFFFAOYSA-N 0 0 342.552 5.407 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccc(C)c(C)c1)cc2C(F)F ZINC000017071675 563834953 /nfs/dbraw/zinc/83/49/53/563834953.db2.gz HJXWZDQENWVMBK-UHFFFAOYSA-N 0 0 343.421 5.761 50 0 EKAARN CCn1c(CCC2CCCCC2)nnc1SCc1cccc(C)c1 ZINC000017071745 563834933 /nfs/dbraw/zinc/83/49/33/563834933.db2.gz LRUFPLQZQUOOQH-UHFFFAOYSA-N 0 0 343.540 5.412 50 0 EKAARN O=C(NCCc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl ZINC000017071748 563834983 /nfs/dbraw/zinc/83/49/83/563834983.db2.gz IMMCPASBZPKCQB-UHFFFAOYSA-N 0 0 343.641 5.011 50 0 EKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1C ZINC000017071790 563835254 /nfs/dbraw/zinc/83/52/54/563835254.db2.gz YIRIFYHASZTHCJ-UHFFFAOYSA-N 0 0 343.883 5.219 50 0 EKAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(C3CCCC3)n2)cc1C ZINC000017071929 563835379 /nfs/dbraw/zinc/83/53/79/563835379.db2.gz MJZNAVLNGMMNCN-UHFFFAOYSA-N 0 0 344.502 6.566 50 0 EKAARN CCCCc1ccc(-n2c(=O)c3c(C)c(C)sc3[nH]c2=S)cc1 ZINC000017071930 564024904 /nfs/dbraw/zinc/02/49/04/564024904.db2.gz GLPVZQIORRQCOM-UHFFFAOYSA-N 0 0 344.505 5.069 50 0 EKAARN CCc1cc2c([nH]c(=S)n(-c3ccc([C@H](C)CC)cc3)c2=O)s1 ZINC000017071931 211953276 /nfs/dbraw/zinc/95/32/76/211953276.db2.gz VRBXPEUHCIHTCA-LLVKDONJSA-N 0 0 344.505 5.186 50 0 EKAARN CCc1cc2c([nH]c(=S)n(-c3ccc([C@@H](C)CC)cc3)c2=O)s1 ZINC000017071932 211953700 /nfs/dbraw/zinc/95/37/00/211953700.db2.gz VRBXPEUHCIHTCA-NSHDSACASA-N 0 0 344.505 5.186 50 0 EKAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1 ZINC000017071933 211953485 /nfs/dbraw/zinc/95/34/85/211953485.db2.gz IQUXTWRZSCAZAJ-KXFIGUGUSA-N 0 0 344.600 5.438 50 0 EKAARN Cc1ccc(Cl)cc1NC(=S)Nc1ccccc1C(F)(F)F ZINC000017071939 211953262 /nfs/dbraw/zinc/95/32/62/211953262.db2.gz BECOIARMFRAMFG-UHFFFAOYSA-N 0 0 344.789 5.476 50 0 EKAARN CCCCn1nc(C)c2c1nc(-c1ccccc1OC)cc2C(F)F ZINC000017071987 211953273 /nfs/dbraw/zinc/95/32/73/211953273.db2.gz LSMGGYJDUKOXLC-UHFFFAOYSA-N 0 0 345.393 5.153 50 0 EKAARN S=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl ZINC000017072038 563835323 /nfs/dbraw/zinc/83/53/23/563835323.db2.gz AJUXQRXLRNPLHV-UHFFFAOYSA-N 0 0 345.682 5.133 50 0 EKAARN Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)cc1 ZINC000017072064 563835690 /nfs/dbraw/zinc/83/56/90/563835690.db2.gz XTWNODWXRFUHBH-UHFFFAOYSA-N 0 0 346.380 5.544 50 0 EKAARN Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)cc1 ZINC000017072065 211953418 /nfs/dbraw/zinc/95/34/18/211953418.db2.gz QQBWIOQIAJGOOV-UHFFFAOYSA-N 0 0 346.380 5.793 50 0 EKAARN Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 ZINC000017072067 563835719 /nfs/dbraw/zinc/83/57/19/563835719.db2.gz IDGKYZOTLKMATC-UHFFFAOYSA-N 0 0 346.380 5.793 50 0 EKAARN Cc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1C ZINC000017072106 563835696 /nfs/dbraw/zinc/83/56/96/563835696.db2.gz KBJRPFFTLMSDQQ-UHFFFAOYSA-N 0 0 346.430 5.526 50 0 EKAARN CC[C@@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017072174 563835737 /nfs/dbraw/zinc/83/57/37/563835737.db2.gz ONZUUSKQSVPYSR-XAPRQVHKSA-N 0 0 346.515 5.107 50 0 EKAARN CC[C@H](NC(=S)Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017072175 211953332 /nfs/dbraw/zinc/95/33/32/211953332.db2.gz ONZUUSKQSVPYSR-ITOSSNOYSA-N 0 0 346.515 5.107 50 0 EKAARN COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000017072198 563835712 /nfs/dbraw/zinc/83/57/12/563835712.db2.gz NHSYOEMUHPMNCI-UHFFFAOYSA-N 0 0 346.858 5.599 50 0 EKAARN Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000017072311 563835701 /nfs/dbraw/zinc/83/57/01/563835701.db2.gz WYCKVUHTYMJLRO-UHFFFAOYSA-N 0 0 347.654 5.161 50 0 EKAARN C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000017072423 563836152 /nfs/dbraw/zinc/83/61/52/563836152.db2.gz BQZSZCZXUYHADR-GFCCVEGCSA-N 0 0 348.462 5.310 50 0 EKAARN C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1 ZINC000017072424 563836047 /nfs/dbraw/zinc/83/60/47/563836047.db2.gz BQZSZCZXUYHADR-LBPRGKRZSA-N 0 0 348.462 5.310 50 0 EKAARN CCOc1ccccc1NC(=S)Nc1ccccc1-c1ccccc1 ZINC000017072433 563836137 /nfs/dbraw/zinc/83/61/37/563836137.db2.gz IXJFTTCCZWCESU-UHFFFAOYSA-N 0 0 348.471 5.561 50 0 EKAARN CCOc1ccccc1NC(=S)NC1CCC(C(C)(C)CC)CC1 ZINC000017072462 563836100 /nfs/dbraw/zinc/83/61/00/563836100.db2.gz FHXFTRNXXOZKOD-UHFFFAOYSA-N 0 0 348.556 5.367 50 0 EKAARN Fc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000017072467 201985043 /nfs/dbraw/zinc/98/50/43/201985043.db2.gz ZRYJTTUGEKRQEQ-UHFFFAOYSA-N 0 0 348.752 5.307 50 0 EKAARN Fc1ccccc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000017072468 563836074 /nfs/dbraw/zinc/83/60/74/563836074.db2.gz WFWJMXMHTJNQRF-UHFFFAOYSA-N 0 0 348.752 5.307 50 0 EKAARN Fc1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000017072469 563836131 /nfs/dbraw/zinc/83/61/31/563836131.db2.gz AQJZHSQSGRDIOP-UHFFFAOYSA-N 0 0 348.752 5.307 50 0 EKAARN Cc1ccc(Cl)cc1NC(=S)Nc1c(F)c(F)cc(F)c1F ZINC000017072470 563836108 /nfs/dbraw/zinc/83/61/08/563836108.db2.gz RGFVJYFLTHINBH-UHFFFAOYSA-N 0 0 348.752 5.014 50 0 EKAARN Cc1ccc(NC(=S)Nc2c(F)c(F)cc(F)c2F)cc1Cl ZINC000017072471 211954035 /nfs/dbraw/zinc/95/40/35/211954035.db2.gz YLLHVUXLAJVOEZ-UHFFFAOYSA-N 0 0 348.752 5.014 50 0 EKAARN COc1ccc(Cl)cc1NC(=S)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000017072486 563836078 /nfs/dbraw/zinc/83/60/78/563836078.db2.gz NMVCXDCYQZNKKT-ZDUSSCGKSA-N 0 0 348.899 5.013 50 0 EKAARN COc1ccc(Cl)cc1NC(=S)N[C@H](C)c1ccc(C)c(C)c1 ZINC000017072487 563836050 /nfs/dbraw/zinc/83/60/50/563836050.db2.gz NMVCXDCYQZNKKT-CYBMUJFWSA-N 0 0 348.899 5.013 50 0 EKAARN Cc1ccc(NC(=S)NCC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000017072491 563836126 /nfs/dbraw/zinc/83/61/26/563836126.db2.gz DZBQHISGUADGBQ-UHFFFAOYSA-N 0 0 348.943 5.151 50 0 EKAARN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017072492 563836148 /nfs/dbraw/zinc/83/61/48/563836148.db2.gz FPOCUITVEFFLAL-XUXNNNHQSA-N 0 0 348.943 5.231 50 0 EKAARN C[C@H](NC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000017072493 563836144 /nfs/dbraw/zinc/83/61/44/563836144.db2.gz FPOCUITVEFFLAL-UHSVVUDUSA-N 0 0 348.943 5.231 50 0 EKAARN O=C(Nc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F ZINC000017072494 563836117 /nfs/dbraw/zinc/83/61/17/563836117.db2.gz MVZXXORBMVKNBF-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN CCc1c(C)scc1-c1nnc(-c2ccc(Br)cc2)o1 ZINC000017072503 563836112 /nfs/dbraw/zinc/83/61/12/563836112.db2.gz UTLAXVKQHIBSST-UHFFFAOYSA-N 0 0 349.253 5.098 50 0 EKAARN Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000017072631 211954365 /nfs/dbraw/zinc/95/43/65/211954365.db2.gz YQFVZVASCFQEHC-UHFFFAOYSA-N 0 0 349.645 5.595 50 0 EKAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc(C)c1 ZINC000017072646 564116387 /nfs/dbraw/zinc/11/63/87/564116387.db2.gz GXBLLCGKFXLAQQ-UHFFFAOYSA-N 0 0 349.912 5.281 50 0 EKAARN Cn1c(CCC2CCCCC2)nnc1SCc1ccc(Cl)cc1 ZINC000017072647 211954858 /nfs/dbraw/zinc/95/48/58/211954858.db2.gz RCTMQIDWBIVHID-UHFFFAOYSA-N 0 0 349.931 5.274 50 0 EKAARN CCCN(C(=O)c1cccs1)c1nc(-c2ccc(C)cc2)cs1 ZINC000017086988 201986214 /nfs/dbraw/zinc/98/62/14/201986214.db2.gz NYEQBAVXHPHMGX-UHFFFAOYSA-N 0 0 342.489 5.237 50 0 EKAARN COc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1 ZINC000017111388 563836822 /nfs/dbraw/zinc/83/68/22/563836822.db2.gz HCHPSLAKVJZIDG-UHFFFAOYSA-N 0 0 342.402 5.126 50 0 EKAARN CC(C)c1ccc2c(c1)[C@]13CCCC[C@H]1CCC[C@@]3(c1ccccc1)N2 ZINC000017111890 564116435 /nfs/dbraw/zinc/11/64/35/564116435.db2.gz AWNUFNVQBMIOEN-OPXMRZJTSA-N 0 0 345.530 6.743 50 0 EKAARN CC(C)c1ccc2c(c1)[C@]13CCCC[C@@H]1CCC[C@@]3(c1ccccc1)N2 ZINC000017111892 564116444 /nfs/dbraw/zinc/11/64/44/564116444.db2.gz AWNUFNVQBMIOEN-YNJKOYDBSA-N 0 0 345.530 6.743 50 0 EKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccc(F)cc2)o1 ZINC000017113720 564116458 /nfs/dbraw/zinc/11/64/58/564116458.db2.gz VXQQQRMOEVDDEU-UHFFFAOYSA-N 0 0 335.382 5.002 50 0 EKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2cccc(F)c2)o1 ZINC000017113722 564116461 /nfs/dbraw/zinc/11/64/61/564116461.db2.gz QHFZGWOOGVHLHE-UHFFFAOYSA-N 0 0 335.382 5.002 50 0 EKAARN CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 ZINC000017113726 564116447 /nfs/dbraw/zinc/11/64/47/564116447.db2.gz IWMAXTRRVVRQFO-UHFFFAOYSA-N 0 0 335.382 5.002 50 0 EKAARN O=c1cc(Oc2cc(Cl)c(Cl)cc2Cl)c2ccccc2o1 ZINC000017117849 258056742 /nfs/dbraw/zinc/05/67/42/258056742.db2.gz VJXBPCNQNIFNGG-UHFFFAOYSA-N 0 0 341.577 5.546 50 0 EKAARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 ZINC000017122876 563837627 /nfs/dbraw/zinc/83/76/27/563837627.db2.gz HCWUWVJSXPTECG-UHFFFAOYSA-N 0 0 346.411 5.322 50 0 EKAARN Cc1cccc(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c1 ZINC000017123084 211955802 /nfs/dbraw/zinc/95/58/02/211955802.db2.gz FKVYXRKLPSZRPX-UHFFFAOYSA-N 0 0 331.419 5.171 50 0 EKAARN Cc1ccccc1COc1cccc2ccc(N3CCC[C@@H](C)C3)nc21 ZINC000017135897 211957211 /nfs/dbraw/zinc/95/72/11/211957211.db2.gz POPLAJNNCYFPPG-QGZVFWFLSA-N 0 0 346.474 5.359 50 0 EKAARN Cc1ccccc1COc1cccc2ccc(N3CCC[C@H](C)C3)nc21 ZINC000017135898 211956574 /nfs/dbraw/zinc/95/65/74/211956574.db2.gz POPLAJNNCYFPPG-KRWDZBQOSA-N 0 0 346.474 5.359 50 0 EKAARN Cc1ccccc1Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000017135915 564116515 /nfs/dbraw/zinc/11/65/15/564116515.db2.gz ASNYZGODBPJTKM-UHFFFAOYSA-N 0 0 331.419 5.171 50 0 EKAARN Cc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1Cl ZINC000017135993 211956530 /nfs/dbraw/zinc/95/65/30/211956530.db2.gz GRTCJXSGBIRQOE-UHFFFAOYSA-N 0 0 341.842 5.188 50 0 EKAARN Oc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000017137890 211956934 /nfs/dbraw/zinc/95/69/34/211956934.db2.gz GVUZEBODKHFEOR-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN O=C1NC(=S)SC1=Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000017147772 563838504 /nfs/dbraw/zinc/83/85/04/563838504.db2.gz INMNXYZGGLVPKJ-SDQBBNPISA-N 0 0 339.800 5.068 50 0 EKAARN Clc1cccc2c(Nc3cccc(Br)c3)ccnc12 ZINC000017149872 201986103 /nfs/dbraw/zinc/98/61/03/201986103.db2.gz AJVCUBRFHQZNTO-UHFFFAOYSA-N 0 0 333.616 5.394 50 0 EKAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Cl)cc1 ZINC000017154560 563838836 /nfs/dbraw/zinc/83/88/36/563838836.db2.gz ULBOLCQGWOJJDX-UHFFFAOYSA-N 0 0 325.795 5.144 50 0 EKAARN Cc1ccc(NC(=O)CC2CCCC2)cc1NC(=O)CC1CCCC1 ZINC000017154585 201988125 /nfs/dbraw/zinc/98/81/25/201988125.db2.gz RQCJKMNHKCKNCE-UHFFFAOYSA-N 0 0 342.483 5.033 50 0 EKAARN C(=C\c1nc2ccccc2nc1/C=C\c1ccccc1)\c1ccccc1 ZINC000017157871 564116577 /nfs/dbraw/zinc/11/65/77/564116577.db2.gz FCJOKCQAZDQZFF-IQRFGFHNSA-N 0 0 334.422 5.971 50 0 EKAARN C(=C/c1nc2ccccc2nc1/C=C\c1ccccc1)\c1ccccc1 ZINC000017157878 564116547 /nfs/dbraw/zinc/11/65/47/564116547.db2.gz FCJOKCQAZDQZFF-JRDMOELTSA-N 0 0 334.422 5.971 50 0 EKAARN Oc1cccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000017163289 211957840 /nfs/dbraw/zinc/95/78/40/211957840.db2.gz AUZBYOOWARDIRC-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN Clc1ccc(COc2cccc3ccc(N4CCCC4)nc32)cc1 ZINC000017170683 564116621 /nfs/dbraw/zinc/11/66/21/564116621.db2.gz VWIMWUSLJRCMDR-UHFFFAOYSA-N 0 0 338.838 5.067 50 0 EKAARN Clc1cccc(COc2cccc3ccc(N4CCCC4)nc32)c1 ZINC000017170711 564116604 /nfs/dbraw/zinc/11/66/04/564116604.db2.gz IYEQQHPMBAHPLP-UHFFFAOYSA-N 0 0 338.838 5.067 50 0 EKAARN CC(=O)c1cccc(NC(=O)C2[C@@H]3CC/C=C/CC/C=C\CC[C@@H]23)c1 ZINC000017172931 201987790 /nfs/dbraw/zinc/98/77/90/201987790.db2.gz BJQOSONJQCUKEY-PALYAERRSA-N 0 0 337.463 5.157 50 0 EKAARN CCc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 ZINC000017172976 211959100 /nfs/dbraw/zinc/95/91/00/211959100.db2.gz VNGZVGOUTLVKLQ-UHFFFAOYSA-N 0 0 342.512 5.010 50 0 EKAARN CCc1cccc(C)c1NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000017173087 211959647 /nfs/dbraw/zinc/95/96/47/211959647.db2.gz VIUAZDBYCQEOOD-UHFFFAOYSA-N 0 0 343.426 5.041 50 0 EKAARN O=C1CS[C@@H](c2ccccc2)N1c1ccccc1Oc1ccccc1 ZINC000017198310 563840265 /nfs/dbraw/zinc/84/02/65/563840265.db2.gz PFOODJWSOZVSRV-NRFANRHFSA-N 0 0 347.439 5.258 50 0 EKAARN O=C1CS[C@H](c2ccccc2)N1c1ccccc1Oc1ccccc1 ZINC000017198313 563840226 /nfs/dbraw/zinc/84/02/26/563840226.db2.gz PFOODJWSOZVSRV-OAQYLSRUSA-N 0 0 347.439 5.258 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 ZINC000017198483 563840247 /nfs/dbraw/zinc/84/02/47/563840247.db2.gz LYKUJTVMRFXAAS-GOSISDBHSA-N 0 0 331.868 5.242 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 ZINC000017198486 563840268 /nfs/dbraw/zinc/84/02/68/563840268.db2.gz LYKUJTVMRFXAAS-SFHVURJKSA-N 0 0 331.868 5.242 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)cc1 ZINC000017198489 563840279 /nfs/dbraw/zinc/84/02/79/563840279.db2.gz CBPHZXXHABMIDO-GOSISDBHSA-N 0 0 331.868 5.242 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(Cl)c2)cc1 ZINC000017198492 563840282 /nfs/dbraw/zinc/84/02/82/563840282.db2.gz CBPHZXXHABMIDO-SFHVURJKSA-N 0 0 331.868 5.242 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000017198495 563840297 /nfs/dbraw/zinc/84/02/97/563840297.db2.gz RPRCHNYNMNIOAN-GOSISDBHSA-N 0 0 331.868 5.242 50 0 EKAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000017198499 563840294 /nfs/dbraw/zinc/84/02/94/563840294.db2.gz RPRCHNYNMNIOAN-SFHVURJKSA-N 0 0 331.868 5.242 50 0 EKAARN Clc1ccc(Nc2ncnc3c4ccccc4oc32)cc1Cl ZINC000017208448 563840585 /nfs/dbraw/zinc/84/05/85/563840585.db2.gz KKGBIXILHMEXAU-UHFFFAOYSA-N 0 0 330.174 5.426 50 0 EKAARN O=C1c2ccccc2C2=NC(=O)S[C@H](c3ccc(Cl)cc3)C12 ZINC000017208866 201987930 /nfs/dbraw/zinc/98/79/30/201987930.db2.gz ZUBCNQDYTAAYJH-MRXNPFEDSA-N 0 0 327.792 5.020 50 0 EKAARN O=C(/C=C\c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000017241399 211961493 /nfs/dbraw/zinc/96/14/93/211961493.db2.gz QDHWVWIYKBCEIX-YPKPFQOOSA-N 0 0 340.382 5.147 50 0 EKAARN Cc1ccc(C23C[C@H]4C[C@H](CC(c5cc6ccccc6[nH]5)(C4)C2)C3)cc1 ZINC000017242041 211961598 /nfs/dbraw/zinc/96/15/98/211961598.db2.gz QDKFMKRPGPXCJC-VINFYQEGSA-N 0 0 341.498 6.266 50 0 EKAARN COc1ccc(Cl)cc1Nc1nc(C)nc2c3ccccc3oc21 ZINC000017249556 201989236 /nfs/dbraw/zinc/98/92/36/201989236.db2.gz TYWZEHIYTOUKQL-UHFFFAOYSA-N 0 0 339.782 5.090 50 0 EKAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Cl)Sc1ccccc1 ZINC000017249712 564116787 /nfs/dbraw/zinc/11/67/87/564116787.db2.gz NIFFNYXRSDRUQE-NTMALXAHSA-N 0 0 345.034 5.349 50 0 EKAARN Cc1sc2nc(-c3ccccc3)nc(Oc3cccnc3)c2c1C ZINC000017281335 211962583 /nfs/dbraw/zinc/96/25/83/211962583.db2.gz TVAXPWSPSBUYEM-UHFFFAOYSA-N 0 0 333.416 5.162 50 0 EKAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccc(C)cc2)o1 ZINC000017287288 564011482 /nfs/dbraw/zinc/01/14/82/564011482.db2.gz OQUSAOARQLMPRD-UHFFFAOYSA-N 0 0 331.419 5.001 50 0 EKAARN CCCc1nnc(-c2cc3ccccc3n2Cc2cccc(C)c2)o1 ZINC000017287296 211962047 /nfs/dbraw/zinc/96/20/47/211962047.db2.gz FFSWBKKLOZFMQD-UHFFFAOYSA-N 0 0 331.419 5.001 50 0 EKAARN CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2C)o1 ZINC000017287307 564011462 /nfs/dbraw/zinc/01/14/62/564011462.db2.gz UFELGPNGTGMDJR-UHFFFAOYSA-N 0 0 331.419 5.001 50 0 EKAARN Cc1ccc(-c2ccsc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000017338324 564011706 /nfs/dbraw/zinc/01/17/06/564011706.db2.gz OQGMZSFLHAPHEL-UHFFFAOYSA-N 0 0 329.371 5.254 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1Cl ZINC000017338578 564011718 /nfs/dbraw/zinc/01/17/18/564011718.db2.gz HLVCPVLHRRKAQK-UHFFFAOYSA-N 0 0 346.814 5.163 50 0 EKAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccs1 ZINC000017382175 564011852 /nfs/dbraw/zinc/01/18/52/564011852.db2.gz FOYCDMJDYQJTAZ-FQEVSTJZSA-N 0 0 331.444 5.152 50 0 EKAARN CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccs1 ZINC000017382177 564011877 /nfs/dbraw/zinc/01/18/77/564011877.db2.gz FOYCDMJDYQJTAZ-HXUWFJFHSA-N 0 0 331.444 5.152 50 0 EKAARN COc1ccc(Nc2ccc(NC(=O)c3sccc3C)cc2)cc1 ZINC000017593174 564012017 /nfs/dbraw/zinc/01/20/17/564012017.db2.gz ATUCYTDZRSFYDP-UHFFFAOYSA-N 0 0 338.432 5.061 50 0 EKAARN Cc1cccc(-c2nnc([C@@H](C)Sc3ccc4ccccc4c3)o2)c1 ZINC000017716678 564012280 /nfs/dbraw/zinc/01/22/80/564012280.db2.gz NKVLNOQXFYUFIJ-OAHLLOKOSA-N 0 0 346.455 6.052 50 0 EKAARN Cc1cccc(-c2nnc([C@H](C)Sc3ccc4ccccc4c3)o2)c1 ZINC000017716680 211970850 /nfs/dbraw/zinc/97/08/50/211970850.db2.gz NKVLNOQXFYUFIJ-HNNXBMFYSA-N 0 0 346.455 6.052 50 0 EKAARN CC(C)c1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)cc1 ZINC000017742544 564012882 /nfs/dbraw/zinc/01/28/82/564012882.db2.gz MWZXMOFKKZLVGO-UHFFFAOYSA-N 0 0 344.405 5.285 50 0 EKAARN C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017743174 564012892 /nfs/dbraw/zinc/01/28/92/564012892.db2.gz QQJMMJGWPVUTNJ-VIFPVBQESA-N 0 0 341.263 5.206 50 0 EKAARN C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017743176 201990797 /nfs/dbraw/zinc/99/07/97/201990797.db2.gz QQJMMJGWPVUTNJ-SECBINFHSA-N 0 0 341.263 5.206 50 0 EKAARN COc1ccc(/N=c2\ssc(SC)c2-c2ccccc2)cc1 ZINC000017748626 563845479 /nfs/dbraw/zinc/84/54/79/563845479.db2.gz OUWMSICCBLJNPK-VLGSPTGOSA-N 0 0 345.514 5.440 50 0 EKAARN Cc1cccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)c1 ZINC000017749906 211972010 /nfs/dbraw/zinc/97/20/10/211972010.db2.gz BVJRSHBBCNIGOJ-ZZEZOPTASA-N 0 0 338.501 5.678 50 0 EKAARN Cc1ccc(-c2nnc(N3C[C@H](C)C[C@H](C)C3)c3ccccc32)cc1 ZINC000017824769 135712873 /nfs/dbraw/zinc/71/28/73/135712873.db2.gz VFIHIDDHUNPHEZ-CALCHBBNSA-N 0 0 331.463 5.088 50 0 EKAARN Cc1ccc(NC(=O)C2C[C@H](C(C)(C)C)C[C@H](C(C)(C)C)C2)cc1 ZINC000017861586 563845733 /nfs/dbraw/zinc/84/57/33/563845733.db2.gz JRCGHFQHEDWYQX-AYHJJNSGSA-N 0 0 329.528 6.058 50 0 EKAARN CCCCCCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000017920516 563846284 /nfs/dbraw/zinc/84/62/84/563846284.db2.gz DDHPIIJLIXBOKQ-MGAZVUHYSA-N 0 0 339.523 5.221 50 0 EKAARN Cc1cc2c(cc1C)NC(=O)c1ccccc1C(c1ccccc1)=N2 ZINC000017921193 563846272 /nfs/dbraw/zinc/84/62/72/563846272.db2.gz UHJCHZGAXRAPFM-UHFFFAOYSA-N 0 0 326.399 5.038 50 0 EKAARN Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3cccs3)C2)c1 ZINC000017994576 564013621 /nfs/dbraw/zinc/01/36/21/564013621.db2.gz LDCRJHTVWQFOCB-UHFFFAOYSA-N 0 0 332.428 5.407 50 0 aggregator EKAARN c1c2c(nc3c1CCC[C@H]3C1=CCCCC1)[C@@H](C1=CCCCC1)CCC2 ZINC000017995762 564013638 /nfs/dbraw/zinc/01/36/38/564013638.db2.gz SRAWZEJLBFCRCG-ZRZAMGCNSA-N 0 0 347.546 6.922 50 0 EKAARN COc1ccccc1Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC000018043648 564017846 /nfs/dbraw/zinc/01/78/46/564017846.db2.gz ZMHUZGVGIOLSDP-UHFFFAOYSA-N 0 0 327.387 5.049 50 0 EKAARN S=c1[nH]c(-c2sc3ccccc3c2Cl)nc2ccccc21 ZINC000018093650 563848233 /nfs/dbraw/zinc/84/82/33/563848233.db2.gz IXUNXSNVBBISON-UHFFFAOYSA-N 0 0 328.849 5.827 50 0 EKAARN O=C(CCc1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 ZINC000018117234 564018243 /nfs/dbraw/zinc/01/82/43/564018243.db2.gz YDFBDOBLLVNNKZ-UHFFFAOYSA-N 0 0 335.378 5.189 50 0 EKAARN Cc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1 ZINC000018130356 563849026 /nfs/dbraw/zinc/84/90/26/563849026.db2.gz 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/nfs/dbraw/zinc/05/05/51/212050551.db2.gz WSIGIAPZQFPQJF-UHFFFAOYSA-N 0 0 331.246 5.033 50 0 EKAARN COc1cc2c(cc1NC(=O)NC1CCCCC1)oc1ccccc12 ZINC000019597099 212050413 /nfs/dbraw/zinc/05/04/13/212050413.db2.gz OFPIELKYSBYCFN-UHFFFAOYSA-N 0 0 338.407 5.049 50 0 EKAARN Cc1cc(NCCc2cccc(Cl)c2)nc2cc(Cl)ccc12 ZINC000019720627 212058501 /nfs/dbraw/zinc/05/85/01/212058501.db2.gz MTPAVUHLUBXBQE-UHFFFAOYSA-N 0 0 331.246 5.505 50 0 EKAARN Cc1cc(NCCc2ccccc2Cl)nc2cc(Cl)ccc12 ZINC000019720692 212058333 /nfs/dbraw/zinc/05/83/33/212058333.db2.gz QZHVLGSKEOPWPD-UHFFFAOYSA-N 0 0 331.246 5.505 50 0 EKAARN CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019736505 212058379 /nfs/dbraw/zinc/05/83/79/212058379.db2.gz BBGWAMHDEUETSF-UHFFFAOYSA-N 0 0 346.858 5.134 50 0 EKAARN CCCCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019736511 212058589 /nfs/dbraw/zinc/05/85/89/212058589.db2.gz HOHBIWFWHIOYML-UHFFFAOYSA-N 0 0 346.858 5.134 50 0 EKAARN c1ccc(CCCNc2cccc(OCCc3ccccc3)c2)cc1 ZINC000019737463 202018005 /nfs/dbraw/zinc/01/80/05/202018005.db2.gz CDIIOXNRZMVAOQ-UHFFFAOYSA-N 0 0 331.459 5.353 50 0 EKAARN CCOc1ccc(CNc2cccc(OCCc3ccccc3)c2)cc1 ZINC000019737466 212059461 /nfs/dbraw/zinc/05/94/61/212059461.db2.gz BPYUNZFCWHVNNF-UHFFFAOYSA-N 0 0 347.458 5.319 50 0 EKAARN Cc1cc(OCCNc2ccccc2OC(C)C)cc(C)c1Cl ZINC000019737473 212059692 /nfs/dbraw/zinc/05/96/92/212059692.db2.gz AHPWROHEVWKCKH-UHFFFAOYSA-N 0 0 333.859 5.235 50 0 EKAARN Cc1ccc(C(C)C)c(OCCNc2ccccc2OC(C)C)c1 ZINC000019737477 202018009 /nfs/dbraw/zinc/01/80/09/202018009.db2.gz LRYRLHPKEFGDMZ-UHFFFAOYSA-N 0 0 327.468 5.397 50 0 EKAARN CCCCCCOc1ccccc1CNc1ccccc1OC(C)C ZINC000019737483 212059598 /nfs/dbraw/zinc/05/95/98/212059598.db2.gz KOJMUENIBIZJRF-UHFFFAOYSA-N 0 0 341.495 6.045 50 0 EKAARN CC(C)Oc1ccccc1NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000019737485 212059168 /nfs/dbraw/zinc/05/91/68/212059168.db2.gz KJMUGYSPRLCNRN-QGZVFWFLSA-N 0 0 327.468 5.477 50 0 EKAARN CC(C)Oc1ccccc1NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019737486 202018445 /nfs/dbraw/zinc/01/84/45/202018445.db2.gz KJMUGYSPRLCNRN-KRWDZBQOSA-N 0 0 327.468 5.477 50 0 EKAARN CC(C)Oc1ccccc1NCCOc1ccccc1C(C)(C)C ZINC000019737491 212059347 /nfs/dbraw/zinc/05/93/47/212059347.db2.gz TVHRNXLUGFIKGN-UHFFFAOYSA-N 0 0 327.468 5.262 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1OC(C)C ZINC000019737492 212059285 /nfs/dbraw/zinc/05/92/85/212059285.db2.gz PDSBZNHGOYNLTC-MSOLQXFVSA-N 0 0 341.495 5.867 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1OC(C)C ZINC000019737493 212059561 /nfs/dbraw/zinc/05/95/61/212059561.db2.gz PDSBZNHGOYNLTC-ROUUACIJSA-N 0 0 341.495 5.867 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@H](C)CNc1ccccc1OC(C)C ZINC000019737494 202017642 /nfs/dbraw/zinc/01/76/42/202017642.db2.gz PDSBZNHGOYNLTC-QZTJIDSGSA-N 0 0 341.495 5.867 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@H](C)CNc1ccccc1OC(C)C ZINC000019737495 202018095 /nfs/dbraw/zinc/01/80/95/202018095.db2.gz PDSBZNHGOYNLTC-ZWKOTPCHSA-N 0 0 341.495 5.867 50 0 EKAARN CC(C)CCOc1ccc(CNc2cccc(OC(C)C)c2)cc1 ZINC000019737507 212059315 /nfs/dbraw/zinc/05/93/15/212059315.db2.gz VNGVMPYHEOHFER-UHFFFAOYSA-N 0 0 327.468 5.511 50 0 EKAARN CC[C@@H](C)Oc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 ZINC000019737515 202017730 /nfs/dbraw/zinc/01/77/30/202017730.db2.gz ASCXJRUFSGECED-GOSISDBHSA-N 0 0 341.495 5.787 50 0 EKAARN CC[C@H](C)Oc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 ZINC000019737516 202018242 /nfs/dbraw/zinc/01/82/42/202018242.db2.gz ASCXJRUFSGECED-SFHVURJKSA-N 0 0 341.495 5.787 50 0 EKAARN CC[C@@H](C)Oc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 ZINC000019737525 212059064 /nfs/dbraw/zinc/05/90/64/212059064.db2.gz QXSFDLSXXFLQRL-QZTJIDSGSA-N 0 0 327.468 5.360 50 0 EKAARN CC[C@H](C)Oc1ccc(NC[C@@H](C)Oc2cc(C)ccc2C)cc1 ZINC000019737526 212059302 /nfs/dbraw/zinc/05/93/02/212059302.db2.gz QXSFDLSXXFLQRL-ZWKOTPCHSA-N 0 0 327.468 5.360 50 0 EKAARN CC[C@@H](C)Oc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000019737527 212059281 /nfs/dbraw/zinc/05/92/81/212059281.db2.gz QXSFDLSXXFLQRL-MSOLQXFVSA-N 0 0 327.468 5.360 50 0 EKAARN CC[C@H](C)Oc1ccc(NC[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000019737528 212059578 /nfs/dbraw/zinc/05/95/78/212059578.db2.gz QXSFDLSXXFLQRL-ROUUACIJSA-N 0 0 327.468 5.360 50 0 EKAARN CC[C@@H](C)Oc1ccc(NC[C@@H](CC)Oc2ccc(C)cc2)cc1 ZINC000019737529 212059131 /nfs/dbraw/zinc/05/91/31/212059131.db2.gz NRDIPSRMBKGZAY-IEBWSBKVSA-N 0 0 327.468 5.442 50 0 EKAARN CC[C@H](CNc1ccc(O[C@@H](C)CC)cc1)Oc1ccc(C)cc1 ZINC000019737530 212059208 /nfs/dbraw/zinc/05/92/08/212059208.db2.gz NRDIPSRMBKGZAY-PKOBYXMFSA-N 0 0 327.468 5.442 50 0 EKAARN CC[C@@H](C)Oc1ccc(NC[C@H](CC)Oc2ccc(C)cc2)cc1 ZINC000019737531 212059514 /nfs/dbraw/zinc/05/95/14/212059514.db2.gz NRDIPSRMBKGZAY-MJGOQNOKSA-N 0 0 327.468 5.442 50 0 EKAARN CC[C@H](C)Oc1ccc(NC[C@H](CC)Oc2ccc(C)cc2)cc1 ZINC000019737532 202018577 /nfs/dbraw/zinc/01/85/77/202018577.db2.gz NRDIPSRMBKGZAY-HKUYNNGSSA-N 0 0 327.468 5.442 50 0 EKAARN CCCCOc1ccc(CNc2ccc(O[C@@H](C)CC)cc2)cc1 ZINC000019737533 202017948 /nfs/dbraw/zinc/01/79/48/202017948.db2.gz SPLACWBQIXKYIN-KRWDZBQOSA-N 0 0 327.468 5.655 50 0 EKAARN CCCCOc1ccc(CNc2ccc(O[C@H](C)CC)cc2)cc1 ZINC000019737534 212059353 /nfs/dbraw/zinc/05/93/53/212059353.db2.gz SPLACWBQIXKYIN-QGZVFWFLSA-N 0 0 327.468 5.655 50 0 EKAARN CC[C@@H](C)Oc1ccc(NCc2ccc(OCC(C)C)cc2)cc1 ZINC000019737535 212059450 /nfs/dbraw/zinc/05/94/50/212059450.db2.gz ZFFZJVUAZOEXHR-QGZVFWFLSA-N 0 0 327.468 5.511 50 0 EKAARN CC[C@H](C)Oc1ccc(NCc2ccc(OCC(C)C)cc2)cc1 ZINC000019737536 212059236 /nfs/dbraw/zinc/05/92/36/212059236.db2.gz ZFFZJVUAZOEXHR-KRWDZBQOSA-N 0 0 327.468 5.511 50 0 EKAARN CC[C@@H](C)Oc1cccc(NCCOc2ccccc2[C@@H](C)CC)c1 ZINC000019737543 202018225 /nfs/dbraw/zinc/01/82/25/202018225.db2.gz WEMFBHYPLAWRED-ZWKOTPCHSA-N 0 0 341.495 5.868 50 0 EKAARN CC[C@H](C)Oc1cccc(NCCOc2ccccc2[C@@H](C)CC)c1 ZINC000019737544 202018056 /nfs/dbraw/zinc/01/80/56/202018056.db2.gz WEMFBHYPLAWRED-ROUUACIJSA-N 0 0 341.495 5.868 50 0 EKAARN CC[C@@H](C)Oc1cccc(NCCOc2ccccc2[C@H](C)CC)c1 ZINC000019737545 202018001 /nfs/dbraw/zinc/01/80/01/202018001.db2.gz WEMFBHYPLAWRED-QZTJIDSGSA-N 0 0 341.495 5.868 50 0 EKAARN CC[C@@H](C)c1ccccc1OCCNc1cccc(O[C@@H](C)CC)c1 ZINC000019737546 212059409 /nfs/dbraw/zinc/05/94/09/212059409.db2.gz WEMFBHYPLAWRED-MSOLQXFVSA-N 0 0 341.495 5.868 50 0 EKAARN CC[C@@H](C)Oc1cccc(NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000019737554 212059632 /nfs/dbraw/zinc/05/96/32/212059632.db2.gz XMRCLSBCRDCUIQ-HUUCEWRRSA-N 0 0 333.859 5.397 50 0 EKAARN CC[C@H](C)Oc1cccc(NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC000019737555 212059444 /nfs/dbraw/zinc/05/94/44/212059444.db2.gz XMRCLSBCRDCUIQ-LSDHHAIUSA-N 0 0 333.859 5.397 50 0 EKAARN CC[C@@H](C)Oc1cccc(NC[C@H](C)Oc2ccccc2Cl)c1 ZINC000019737556 212059512 /nfs/dbraw/zinc/05/95/12/212059512.db2.gz XMRCLSBCRDCUIQ-CABCVRRESA-N 0 0 333.859 5.397 50 0 EKAARN CC[C@H](C)Oc1cccc(NC[C@H](C)Oc2ccccc2Cl)c1 ZINC000019737557 212059222 /nfs/dbraw/zinc/05/92/22/212059222.db2.gz XMRCLSBCRDCUIQ-GJZGRUSLSA-N 0 0 333.859 5.397 50 0 EKAARN CCCCCCOc1ccccc1CNCc1ccccc1Cl ZINC000019737612 212059320 /nfs/dbraw/zinc/05/93/20/212059320.db2.gz NHAXCTLIADKTNO-UHFFFAOYSA-N 0 0 331.887 5.589 50 0 EKAARN C[C@@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl ZINC000019737618 202018217 /nfs/dbraw/zinc/01/82/17/202018217.db2.gz QPJVSFMBXFLYGH-NSHDSACASA-N 0 0 329.749 5.238 50 0 EKAARN C[C@H](CNc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl ZINC000019737619 212059620 /nfs/dbraw/zinc/05/96/20/212059620.db2.gz QPJVSFMBXFLYGH-LLVKDONJSA-N 0 0 329.749 5.238 50 0 EKAARN CCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 ZINC000019737672 212059655 /nfs/dbraw/zinc/05/96/55/212059655.db2.gz PNUPFAUTABSNGH-PKOBYXMFSA-N 0 0 341.495 5.868 50 0 EKAARN CCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@@H](C)CC)cc1 ZINC000019737673 212059121 /nfs/dbraw/zinc/05/91/21/212059121.db2.gz PNUPFAUTABSNGH-HKUYNNGSSA-N 0 0 341.495 5.868 50 0 EKAARN CCOc1ccc(NC[C@@H](CC)Oc2ccccc2[C@H](C)CC)cc1 ZINC000019737674 212059686 /nfs/dbraw/zinc/05/96/86/212059686.db2.gz PNUPFAUTABSNGH-IEBWSBKVSA-N 0 0 341.495 5.868 50 0 EKAARN CCOc1ccc(NC[C@H](CC)Oc2ccccc2[C@H](C)CC)cc1 ZINC000019737675 202017787 /nfs/dbraw/zinc/01/77/87/202017787.db2.gz PNUPFAUTABSNGH-MJGOQNOKSA-N 0 0 341.495 5.868 50 0 EKAARN CC(C)(C)c1ccc(OCCNc2ccc(F)cc2)c(C(C)(C)C)c1 ZINC000019737686 212059327 /nfs/dbraw/zinc/05/93/27/212059327.db2.gz INOZNEOCKAGAJP-UHFFFAOYSA-N 0 0 343.486 5.912 50 0 EKAARN Clc1ccc(OCCNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000019737692 202017765 /nfs/dbraw/zinc/01/77/65/202017765.db2.gz JIFVZGJSRHLBET-UHFFFAOYSA-N 0 0 339.822 5.623 50 0 EKAARN Cc1ccc(C)c(O[C@@H](C)CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000019737694 202018185 /nfs/dbraw/zinc/01/81/85/202018185.db2.gz CSDDKDZWBUHTNZ-IBGZPJMESA-N 0 0 347.458 5.975 50 0 EKAARN Cc1ccc(C)c(O[C@H](C)CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000019737695 212059038 /nfs/dbraw/zinc/05/90/38/212059038.db2.gz CSDDKDZWBUHTNZ-LJQANCHMSA-N 0 0 347.458 5.975 50 0 EKAARN CCCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 ZINC000019737697 212059050 /nfs/dbraw/zinc/05/90/50/212059050.db2.gz NHUGUWLUKQLNGA-UHFFFAOYSA-N 0 0 333.431 5.880 50 0 EKAARN CC[C@@H](C)Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000019737699 202018017 /nfs/dbraw/zinc/01/80/17/202018017.db2.gz UXUVXDOIZIAHJJ-GOSISDBHSA-N 0 0 347.458 6.268 50 0 EKAARN CC[C@H](C)Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000019737700 212059218 /nfs/dbraw/zinc/05/92/18/212059218.db2.gz UXUVXDOIZIAHJJ-SFHVURJKSA-N 0 0 347.458 6.268 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1c(C)cc(C)cc1C ZINC000019737719 212059360 /nfs/dbraw/zinc/05/93/60/212059360.db2.gz IIKAIDKYHFUSSI-APWZRJJASA-N 0 0 325.496 6.005 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@@H](C)CNc1c(C)cc(C)cc1C ZINC000019737720 212059664 /nfs/dbraw/zinc/05/96/64/212059664.db2.gz IIKAIDKYHFUSSI-LPHOPBHVSA-N 0 0 325.496 6.005 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@H](C)CNc1c(C)cc(C)cc1C ZINC000019737721 212059257 /nfs/dbraw/zinc/05/92/57/212059257.db2.gz IIKAIDKYHFUSSI-VQIMIIECSA-N 0 0 325.496 6.005 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@H](C)CNc1c(C)cc(C)cc1C ZINC000019737722 202018295 /nfs/dbraw/zinc/01/82/95/202018295.db2.gz IIKAIDKYHFUSSI-QFBILLFUSA-N 0 0 325.496 6.005 50 0 EKAARN Cc1cc(OCCNc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000019737725 212059415 /nfs/dbraw/zinc/05/94/15/212059415.db2.gz YTGKWMUMNHASRS-UHFFFAOYSA-N 0 0 330.642 5.446 50 0 EKAARN CC(C)(C)c1ccc(OCCNc2cc(Cl)cc(Cl)c2)cc1 ZINC000019737743 212059440 /nfs/dbraw/zinc/05/94/40/212059440.db2.gz HDJMRAHVNZHJBZ-UHFFFAOYSA-N 0 0 338.278 5.782 50 0 EKAARN CC(C)(C)c1ccccc1OCCNc1cc(Cl)cc(Cl)c1 ZINC000019737745 212059630 /nfs/dbraw/zinc/05/96/30/212059630.db2.gz SXXDLACIGNXPRX-UHFFFAOYSA-N 0 0 338.278 5.782 50 0 EKAARN Cc1cc(C)cc(NCc2cccc(OCCc3ccccc3)c2)c1 ZINC000019737765 212059399 /nfs/dbraw/zinc/05/93/99/212059399.db2.gz PQGMAOBNZZNGPR-UHFFFAOYSA-N 0 0 331.459 5.537 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@@H](CC)CNc1cc(C)cc(C)c1 ZINC000019737766 212059466 /nfs/dbraw/zinc/05/94/66/212059466.db2.gz YBSGHJULVUNNGA-ICSRJNTNSA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@H](CNc1cc(C)cc(C)c1)Oc1ccccc1[C@@H](C)CC ZINC000019737767 212059477 /nfs/dbraw/zinc/05/94/77/212059477.db2.gz YBSGHJULVUNNGA-AZUAARDMSA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@@H](CC)CNc1cc(C)cc(C)c1 ZINC000019737768 212059528 /nfs/dbraw/zinc/05/95/28/212059528.db2.gz YBSGHJULVUNNGA-QUCCMNQESA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@H](CC)CNc1cc(C)cc(C)c1 ZINC000019737769 212059233 /nfs/dbraw/zinc/05/92/33/212059233.db2.gz YBSGHJULVUNNGA-UYAOXDASSA-N 0 0 325.496 6.086 50 0 EKAARN Cc1ccc(C)c(NCCCCOc2ccc(Cl)cc2Cl)c1 ZINC000019737775 212059498 /nfs/dbraw/zinc/05/94/98/212059498.db2.gz XUEHVOBQNBDCST-UHFFFAOYSA-N 0 0 338.278 5.881 50 0 EKAARN Cc1ccc(C)c(NCc2cccc(OCCOc3ccccc3)c2)c1 ZINC000019737792 212059383 /nfs/dbraw/zinc/05/93/83/212059383.db2.gz GJSCDZIUIGQTIP-UHFFFAOYSA-N 0 0 347.458 5.373 50 0 EKAARN Cc1ccc(C)c(NCc2cccc(OCCc3ccccc3)c2)c1 ZINC000019737793 212059403 /nfs/dbraw/zinc/05/94/03/212059403.db2.gz IHKUUWAXXTXBPS-UHFFFAOYSA-N 0 0 331.459 5.537 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@@H](CC)CNc1cc(C)ccc1C ZINC000019737794 212059508 /nfs/dbraw/zinc/05/95/08/212059508.db2.gz UTGBKWJKNSYDLK-HKUYNNGSSA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@H](CNc1cc(C)ccc1C)Oc1ccccc1[C@@H](C)CC ZINC000019737795 212059475 /nfs/dbraw/zinc/05/94/75/212059475.db2.gz UTGBKWJKNSYDLK-PKOBYXMFSA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@@H](CC)CNc1cc(C)ccc1C ZINC000019737796 212059435 /nfs/dbraw/zinc/05/94/35/212059435.db2.gz UTGBKWJKNSYDLK-MJGOQNOKSA-N 0 0 325.496 6.086 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@H](CC)CNc1cc(C)ccc1C ZINC000019737797 212059428 /nfs/dbraw/zinc/05/94/28/212059428.db2.gz UTGBKWJKNSYDLK-IEBWSBKVSA-N 0 0 325.496 6.086 50 0 EKAARN CC(C)CCOc1cccc(CNc2ccc(Cl)cc2Cl)c1 ZINC000019737890 202018108 /nfs/dbraw/zinc/01/81/08/202018108.db2.gz IJBXPIYQXZEZOL-UHFFFAOYSA-N 0 0 338.278 6.030 50 0 EKAARN C[C@@H](CNc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 ZINC000019737933 202018540 /nfs/dbraw/zinc/01/85/40/202018540.db2.gz HKQLPYTYXBIHEU-JTQLQIEISA-N 0 0 330.642 5.526 50 0 EKAARN C[C@H](CNc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 ZINC000019737934 212059334 /nfs/dbraw/zinc/05/93/34/212059334.db2.gz HKQLPYTYXBIHEU-SNVBAGLBSA-N 0 0 330.642 5.526 50 0 EKAARN CCOc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000019737935 212059251 /nfs/dbraw/zinc/05/92/51/212059251.db2.gz HAJLDMMDKBREGC-UHFFFAOYSA-N 0 0 330.642 5.658 50 0 EKAARN CCCCCOc1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000019737954 212059243 /nfs/dbraw/zinc/05/92/43/212059243.db2.gz JBTINZXCICWECH-UHFFFAOYSA-N 0 0 338.278 6.175 50 0 EKAARN Cc1cc(OCCNc2cc(Cl)ccc2Cl)ccc1Cl ZINC000019738051 212059397 /nfs/dbraw/zinc/05/93/97/212059397.db2.gz NSVKWOMCCRYIGL-UHFFFAOYSA-N 0 0 330.642 5.446 50 0 EKAARN CC[C@@H](C)c1ccccc1OCCNc1cc(Cl)ccc1Cl ZINC000019738052 202018535 /nfs/dbraw/zinc/01/85/35/202018535.db2.gz CYZCPHHJIAATOT-CYBMUJFWSA-N 0 0 338.278 5.998 50 0 EKAARN CC[C@H](C)c1ccccc1OCCNc1cc(Cl)ccc1Cl ZINC000019738053 212059151 /nfs/dbraw/zinc/05/91/51/212059151.db2.gz CYZCPHHJIAATOT-ZDUSSCGKSA-N 0 0 338.278 5.998 50 0 EKAARN C[C@@H](CNc1cc(Cl)ccc1Cl)Oc1ccccc1Cl ZINC000019738058 212059611 /nfs/dbraw/zinc/05/96/11/212059611.db2.gz SBDJGOIJRYKEOJ-JTQLQIEISA-N 0 0 330.642 5.526 50 0 EKAARN C[C@H](CNc1cc(Cl)ccc1Cl)Oc1ccccc1Cl ZINC000019738059 212059034 /nfs/dbraw/zinc/05/90/34/212059034.db2.gz SBDJGOIJRYKEOJ-SNVBAGLBSA-N 0 0 330.642 5.526 50 0 EKAARN CCCCCCOc1ccc(CNc2ccc(OC)c(Cl)c2)cc1 ZINC000019738098 202018390 /nfs/dbraw/zinc/01/83/90/202018390.db2.gz YPCTZBYHJCGYFR-UHFFFAOYSA-N 0 0 347.886 5.920 50 0 EKAARN COc1ccc(NC[C@@H](C)Oc2ccc(C(C)C)cc2)cc1Cl ZINC000019738100 212059385 /nfs/dbraw/zinc/05/93/85/212059385.db2.gz KRWNKIIMYIINFU-CQSZACIVSA-N 0 0 333.859 5.351 50 0 EKAARN COc1ccc(NC[C@H](C)Oc2ccc(C(C)C)cc2)cc1Cl ZINC000019738101 212059025 /nfs/dbraw/zinc/05/90/25/212059025.db2.gz KRWNKIIMYIINFU-AWEZNQCLSA-N 0 0 333.859 5.351 50 0 EKAARN CCCCCCOc1ccc(NCCOc2c(C)cccc2C)cc1 ZINC000019738138 202018234 /nfs/dbraw/zinc/01/82/34/202018234.db2.gz MVYFMGMDJRYBEF-UHFFFAOYSA-N 0 0 341.495 5.753 50 0 EKAARN CCCCCCOc1ccc(NCc2cccc(OC(C)C)c2)cc1 ZINC000019738141 212059299 /nfs/dbraw/zinc/05/92/99/212059299.db2.gz FDZXEVPYEWNEGY-UHFFFAOYSA-N 0 0 341.495 6.045 50 0 EKAARN CCCCOc1ccc(NCc2ccc(OCCC(C)C)cc2)cc1 ZINC000019738147 212059525 /nfs/dbraw/zinc/05/95/25/212059525.db2.gz MEMGNVHPVPBTAQ-UHFFFAOYSA-N 0 0 341.495 5.903 50 0 EKAARN Cc1cc(OCCNc2ccc(OCC(C)C)cc2)cc(C)c1Cl ZINC000019738153 212059105 /nfs/dbraw/zinc/05/91/05/212059105.db2.gz ZOJHFANPILTVIF-UHFFFAOYSA-N 0 0 347.886 5.483 50 0 EKAARN CCCCOc1ccccc1CNc1ccc(OCC(C)C)cc1 ZINC000019738159 212059602 /nfs/dbraw/zinc/05/96/02/212059602.db2.gz UXDFIYBXFCWZIY-UHFFFAOYSA-N 0 0 327.468 5.512 50 0 EKAARN CC(C)COc1ccc(NC[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000019738162 212059421 /nfs/dbraw/zinc/05/94/21/212059421.db2.gz BSRKFRFQLWIMEG-GOSISDBHSA-N 0 0 341.495 5.724 50 0 EKAARN CC(C)COc1ccc(NC[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000019738163 212059472 /nfs/dbraw/zinc/05/94/72/212059472.db2.gz BSRKFRFQLWIMEG-SFHVURJKSA-N 0 0 341.495 5.724 50 0 EKAARN CCCOc1ccc(NCCOc2ccccc2[C@@H](C)CC)cc1 ZINC000019738167 212059688 /nfs/dbraw/zinc/05/96/88/212059688.db2.gz XSCBKAGVVKRZEC-KRWDZBQOSA-N 0 0 327.468 5.480 50 0 EKAARN CCCOc1ccc(NCCOc2ccccc2[C@H](C)CC)cc1 ZINC000019738168 212059677 /nfs/dbraw/zinc/05/96/77/212059677.db2.gz XSCBKAGVVKRZEC-QGZVFWFLSA-N 0 0 327.468 5.480 50 0 EKAARN CCCOc1ccc(NCCOc2cc(C)ccc2C(C)C)cc1 ZINC000019738176 212059453 /nfs/dbraw/zinc/05/94/53/212059453.db2.gz CVHIDZMXFBPINN-UHFFFAOYSA-N 0 0 327.468 5.398 50 0 EKAARN Cc1ccccc1OCCNc1ccc(OCc2ccccc2)cc1 ZINC000019738187 212059367 /nfs/dbraw/zinc/05/93/67/212059367.db2.gz URFMHFQYKWOWFD-UHFFFAOYSA-N 0 0 333.431 5.065 50 0 EKAARN Cc1ccc(C)c(OCCNc2ccc(OCc3ccccc3)cc2)c1 ZINC000019738188 202018394 /nfs/dbraw/zinc/01/83/94/202018394.db2.gz CYGRMPUPRUTVMU-UHFFFAOYSA-N 0 0 347.458 5.373 50 0 EKAARN CC(C)CCOc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000019738198 212059133 /nfs/dbraw/zinc/05/91/33/212059133.db2.gz USKOROHSCKNSBW-UHFFFAOYSA-N 0 0 345.486 6.391 50 0 EKAARN CC[C@@H](CNc1ccc(OCCC(C)C)cc1)Oc1ccccc1 ZINC000019738207 212059374 /nfs/dbraw/zinc/05/93/74/212059374.db2.gz UAHDFFJEJNMFNL-IBGZPJMESA-N 0 0 327.468 5.381 50 0 EKAARN CC[C@H](CNc1ccc(OCCC(C)C)cc1)Oc1ccccc1 ZINC000019738208 202018587 /nfs/dbraw/zinc/01/85/87/202018587.db2.gz UAHDFFJEJNMFNL-LJQANCHMSA-N 0 0 327.468 5.381 50 0 EKAARN CC[C@@H](C)Oc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 ZINC000019738212 212059333 /nfs/dbraw/zinc/05/93/33/212059333.db2.gz LCRPMLLAGLDJHF-GOSISDBHSA-N 0 0 341.495 5.901 50 0 EKAARN CC[C@H](C)Oc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 ZINC000019738213 202018449 /nfs/dbraw/zinc/01/84/49/202018449.db2.gz LCRPMLLAGLDJHF-SFHVURJKSA-N 0 0 341.495 5.901 50 0 EKAARN CC(C)(C)c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000019738226 212059187 /nfs/dbraw/zinc/05/91/87/212059187.db2.gz UUQPLKALBJQVKR-NRFANRHFSA-N 0 0 339.479 5.154 50 0 EKAARN CC(C)(C)c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000019738227 212059623 /nfs/dbraw/zinc/05/96/23/212059623.db2.gz UUQPLKALBJQVKR-OAQYLSRUSA-N 0 0 339.479 5.154 50 0 EKAARN Cc1ccccc1CNc1ccc(OCCOc2ccccc2)cc1 ZINC000019738238 212059265 /nfs/dbraw/zinc/05/92/65/212059265.db2.gz FWAKLEBQBJUTMF-UHFFFAOYSA-N 0 0 333.431 5.065 50 0 EKAARN Cc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019738240 202017714 /nfs/dbraw/zinc/01/77/14/202017714.db2.gz ROXZANZBQOJATR-UHFFFAOYSA-N 0 0 333.431 5.065 50 0 EKAARN Cc1cccc(OCCNc2ccc(OCCc3ccccc3)cc2)c1 ZINC000019738285 202018427 /nfs/dbraw/zinc/01/84/27/202018427.db2.gz MBCIUIIWMIHGEB-UHFFFAOYSA-N 0 0 347.458 5.107 50 0 EKAARN Cc1ccccc1CCNc1ccc(OCCc2ccccc2)cc1 ZINC000019738294 202018136 /nfs/dbraw/zinc/01/81/36/202018136.db2.gz KSJHPDFLVAMRKI-UHFFFAOYSA-N 0 0 331.459 5.271 50 0 EKAARN Cc1cc(OCCNc2ccccc2OCC(C)C)ccc1Cl ZINC000019738295 202018406 /nfs/dbraw/zinc/01/84/06/202018406.db2.gz WWCOFKJSZPHYOH-UHFFFAOYSA-N 0 0 333.859 5.174 50 0 EKAARN CC(C)COc1ccccc1NCCOc1ccccc1C(C)(C)C ZINC000019738300 202018419 /nfs/dbraw/zinc/01/84/19/202018419.db2.gz MDIXCDWFVKCLAW-UHFFFAOYSA-N 0 0 341.495 5.510 50 0 EKAARN Cc1ccc(C)c(O[C@H](C)CNc2cccc(OCC(C)C)c2)c1 ZINC000019738307 212059650 /nfs/dbraw/zinc/05/96/50/212059650.db2.gz RBLIQAWYXKXIOK-GOSISDBHSA-N 0 0 327.468 5.218 50 0 EKAARN Cc1ccc(C)c(O[C@@H](C)CNc2cccc(OCC(C)C)c2)c1 ZINC000019738308 202017655 /nfs/dbraw/zinc/01/76/55/202017655.db2.gz RBLIQAWYXKXIOK-SFHVURJKSA-N 0 0 327.468 5.218 50 0 EKAARN CC(C)COc1cccc(CNc2cccc(OCC(C)C)c2)c1 ZINC000019738310 212059418 /nfs/dbraw/zinc/05/94/18/212059418.db2.gz KFPNHCYFUJMCNW-UHFFFAOYSA-N 0 0 327.468 5.368 50 0 EKAARN CC(C)c1ccccc1NC[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019738328 212059200 /nfs/dbraw/zinc/05/92/00/212059200.db2.gz QIZWQQNJSOCGEU-KRWDZBQOSA-N 0 0 325.496 5.987 50 0 EKAARN CC(C)c1ccccc1NC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019738329 212059124 /nfs/dbraw/zinc/05/91/24/212059124.db2.gz QIZWQQNJSOCGEU-QGZVFWFLSA-N 0 0 325.496 5.987 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1C(C)C ZINC000019738331 212059337 /nfs/dbraw/zinc/05/93/37/212059337.db2.gz RNQMXCHCUOTDIA-MSOLQXFVSA-N 0 0 325.496 6.203 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@@H](C)CNc1ccccc1C(C)C ZINC000019738332 212059645 /nfs/dbraw/zinc/05/96/45/212059645.db2.gz RNQMXCHCUOTDIA-ROUUACIJSA-N 0 0 325.496 6.203 50 0 EKAARN CC[C@@H](C)c1ccccc1O[C@H](C)CNc1ccccc1C(C)C ZINC000019738333 212059349 /nfs/dbraw/zinc/05/93/49/212059349.db2.gz RNQMXCHCUOTDIA-QZTJIDSGSA-N 0 0 325.496 6.203 50 0 EKAARN CC[C@H](C)c1ccccc1O[C@H](C)CNc1ccccc1C(C)C ZINC000019738334 202017754 /nfs/dbraw/zinc/01/77/54/202017754.db2.gz RNQMXCHCUOTDIA-ZWKOTPCHSA-N 0 0 325.496 6.203 50 0 EKAARN CCCCCCOc1cccc(NCCc2ccc(OC)cc2)c1 ZINC000019738336 212059539 /nfs/dbraw/zinc/05/95/39/212059539.db2.gz MECVYIAMWPLPKW-UHFFFAOYSA-N 0 0 327.468 5.309 50 0 EKAARN CCCCCCOc1cccc(NCc2cccc(OCC)c2)c1 ZINC000019738339 212059156 /nfs/dbraw/zinc/05/91/56/212059156.db2.gz UBGDNTFAWPAJRP-UHFFFAOYSA-N 0 0 327.468 5.657 50 0 EKAARN CCCCOc1cccc(NCCOc2ccc(Cl)cc2C)c1 ZINC000019738342 212059029 /nfs/dbraw/zinc/05/90/29/212059029.db2.gz FJOHVAZTKPEUFC-UHFFFAOYSA-N 0 0 333.859 5.318 50 0 EKAARN CCCCOc1cccc(NC[C@@H](C)Oc2ccc(CC)cc2)c1 ZINC000019738350 212059128 /nfs/dbraw/zinc/05/91/28/212059128.db2.gz NROLOBIWWGNQPC-QGZVFWFLSA-N 0 0 327.468 5.307 50 0 EKAARN CCCCOc1cccc(NC[C@H](C)Oc2ccc(CC)cc2)c1 ZINC000019738351 212059491 /nfs/dbraw/zinc/05/94/91/212059491.db2.gz NROLOBIWWGNQPC-KRWDZBQOSA-N 0 0 327.468 5.307 50 0 EKAARN CC(C)CCOc1cccc(NCCOc2ccccc2Cl)c1 ZINC000019738369 202018496 /nfs/dbraw/zinc/01/84/96/202018496.db2.gz ZLOHVXFRMOJGOK-UHFFFAOYSA-N 0 0 333.859 5.256 50 0 EKAARN CC(C)CCOc1cccc(NCc2cccc(OC(C)C)c2)c1 ZINC000019738375 212059680 /nfs/dbraw/zinc/05/96/80/212059680.db2.gz SFKBHAUMCYTYOO-UHFFFAOYSA-N 0 0 327.468 5.511 50 0 EKAARN CCOc1cccc(NC[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000019738380 212059437 /nfs/dbraw/zinc/05/94/37/212059437.db2.gz DVHBIVZMQPBTOA-GFCCVEGCSA-N 0 0 340.250 5.272 50 0 EKAARN CCOc1cccc(NC[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000019738381 212059275 /nfs/dbraw/zinc/05/92/75/212059275.db2.gz DVHBIVZMQPBTOA-LBPRGKRZSA-N 0 0 340.250 5.272 50 0 EKAARN c1ccc(CCCNc2cccc(OCCOc3ccccc3)c2)cc1 ZINC000019738401 202018607 /nfs/dbraw/zinc/01/86/07/202018607.db2.gz CTVIVWKSZGEADG-UHFFFAOYSA-N 0 0 347.458 5.189 50 0 EKAARN Cc1ccc(NCCCCOc2ccc(Cl)cc2Cl)cc1C ZINC000019738428 212059389 /nfs/dbraw/zinc/05/93/89/212059389.db2.gz SKSJINWHQFRVAL-UHFFFAOYSA-N 0 0 338.278 5.881 50 0 EKAARN CCOCCOc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000019738434 212059145 /nfs/dbraw/zinc/05/91/45/212059145.db2.gz WDLFVGYCCBFSGS-UHFFFAOYSA-N 0 0 340.250 5.021 50 0 EKAARN Fc1ccc(CNc2ccccc2OCCCc2ccccc2)cc1 ZINC000019738451 212060480 /nfs/dbraw/zinc/06/04/80/212060480.db2.gz PVEWTHKAASKDOQ-UHFFFAOYSA-N 0 0 335.422 5.449 50 0 EKAARN c1ccc(CCCOc2ccccc2NCCOc2ccccc2)cc1 ZINC000019738452 212060189 /nfs/dbraw/zinc/06/01/89/212060189.db2.gz PDKZPPDQKOBGIB-UHFFFAOYSA-N 0 0 347.458 5.189 50 0 EKAARN c1ccc(CCCOc2ccccc2NCCc2ccccc2)cc1 ZINC000019738454 202017734 /nfs/dbraw/zinc/01/77/34/202017734.db2.gz VIPABZHIOTYRGS-UHFFFAOYSA-N 0 0 331.459 5.353 50 0 EKAARN Cc1ccc(C)c(OCCNc2cccc(OCc3ccccc3)c2)c1 ZINC000019738466 212059853 /nfs/dbraw/zinc/05/98/53/212059853.db2.gz TYVQRTDSOBQOGY-UHFFFAOYSA-N 0 0 347.458 5.373 50 0 EKAARN Cc1cccc(O[C@@H](C)CNc2cccc(OCc3ccccc3)c2)c1 ZINC000019738467 212060059 /nfs/dbraw/zinc/06/00/59/212060059.db2.gz UXUSVNORTCUIAP-IBGZPJMESA-N 0 0 347.458 5.453 50 0 EKAARN Cc1cccc(O[C@H](C)CNc2cccc(OCc3ccccc3)c2)c1 ZINC000019738468 212060822 /nfs/dbraw/zinc/06/08/22/212060822.db2.gz UXUSVNORTCUIAP-LJQANCHMSA-N 0 0 347.458 5.453 50 0 EKAARN CCOc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1 ZINC000019738471 212059902 /nfs/dbraw/zinc/05/99/02/212059902.db2.gz XTYCTEIVEITJND-UHFFFAOYSA-N 0 0 333.431 5.276 50 0 EKAARN CCOc1cccc(CNc2cccc(OCc3ccccc3)c2)c1 ZINC000019738473 202017951 /nfs/dbraw/zinc/01/79/51/202017951.db2.gz XESXGDXMJGQKRF-UHFFFAOYSA-N 0 0 333.431 5.276 50 0 EKAARN CCCOc1cccc(CNc2cccc(OCc3ccccc3)c2)c1 ZINC000019738474 202017665 /nfs/dbraw/zinc/01/76/65/202017665.db2.gz BKALZQPYCNOMPI-UHFFFAOYSA-N 0 0 347.458 5.667 50 0 EKAARN CCCCOc1ccccc1NCc1ccc(-c2ccccc2)cc1 ZINC000019738480 202018012 /nfs/dbraw/zinc/01/80/12/202018012.db2.gz NIQMWUQLWQEGCT-UHFFFAOYSA-N 0 0 331.459 6.145 50 0 EKAARN CCCCOc1ccccc1NCCOc1ccc(C(C)C)cc1 ZINC000019738481 212060172 /nfs/dbraw/zinc/06/01/72/212060172.db2.gz TXQFIRYJSXFYKS-UHFFFAOYSA-N 0 0 327.468 5.480 50 0 EKAARN CCCCOc1ccccc1NC[C@@H](CC)Oc1ccccc1C ZINC000019738486 212060374 /nfs/dbraw/zinc/06/03/74/212060374.db2.gz RPOYZGPEKMONOH-GOSISDBHSA-N 0 0 327.468 5.443 50 0 EKAARN CCCCOc1ccccc1NC[C@H](CC)Oc1ccccc1C ZINC000019738487 202017795 /nfs/dbraw/zinc/01/77/95/202017795.db2.gz RPOYZGPEKMONOH-SFHVURJKSA-N 0 0 327.468 5.443 50 0 EKAARN CCCCOc1ccc(CNc2ccccc2OCCCC)cc1 ZINC000019738488 202018028 /nfs/dbraw/zinc/01/80/28/202018028.db2.gz HBSCSXXQNDCFAR-UHFFFAOYSA-N 0 0 327.468 5.657 50 0 EKAARN CCCCOc1ccccc1NCc1ccc(OCC(C)C)cc1 ZINC000019738489 212060674 /nfs/dbraw/zinc/06/06/74/212060674.db2.gz KCMVNQQPGSZZLJ-UHFFFAOYSA-N 0 0 327.468 5.512 50 0 EKAARN CCOCCOc1cccc(NCc2ccc(C(C)(C)C)cc2)c1 ZINC000019738527 202018061 /nfs/dbraw/zinc/01/80/61/202018061.db2.gz QWLBMXYEGKNINT-UHFFFAOYSA-N 0 0 327.468 5.012 50 0 EKAARN Clc1ccccc1CNc1ccc(OCCC2CCCCC2)cc1 ZINC000019738559 212060209 /nfs/dbraw/zinc/06/02/09/212060209.db2.gz VQEHVAVNYABXSR-UHFFFAOYSA-N 0 0 343.898 6.301 50 0 EKAARN Clc1ccc(CNc2ccc(OCCC3CCCCC3)cc2)cc1 ZINC000019738560 212059929 /nfs/dbraw/zinc/05/99/29/212059929.db2.gz XEJHGFFBXFFLDY-UHFFFAOYSA-N 0 0 343.898 6.301 50 0 EKAARN c1ccc(CCCNc2ccc(OCCC3CCCCC3)cc2)cc1 ZINC000019738561 212059972 /nfs/dbraw/zinc/05/99/72/212059972.db2.gz IWSUAVDYSVRDEI-UHFFFAOYSA-N 0 0 337.507 6.081 50 0 EKAARN Clc1cc(Cl)c2c(c1)C=C1CCCC[C@]1(N1CCCCC1)O2 ZINC000019770658 212063453 /nfs/dbraw/zinc/06/34/53/212063453.db2.gz RTKAPRCEVJCYGI-SFHVURJKSA-N 0 0 338.278 5.525 50 0 EKAARN Clc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1(N1CCCCC1)O2 ZINC000019770659 212062813 /nfs/dbraw/zinc/06/28/13/212062813.db2.gz RTKAPRCEVJCYGI-GOSISDBHSA-N 0 0 338.278 5.525 50 0 EKAARN CC(=O)[C@H](C(=O)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000019789658 212066144 /nfs/dbraw/zinc/06/61/44/212066144.db2.gz QQXCYSURNXIYNP-NRFANRHFSA-N 0 0 342.394 5.012 50 0 EKAARN CC(=O)[C@@H](C(=O)c1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000019789660 212066903 /nfs/dbraw/zinc/06/69/03/212066903.db2.gz QQXCYSURNXIYNP-OAQYLSRUSA-N 0 0 342.394 5.012 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000019789791 212066282 /nfs/dbraw/zinc/06/62/82/212066282.db2.gz ZFRJMYJZSKWEDL-NRFANRHFSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000019789793 202021038 /nfs/dbraw/zinc/02/10/38/202021038.db2.gz ZFRJMYJZSKWEDL-OAQYLSRUSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000019790445 212068207 /nfs/dbraw/zinc/06/82/07/212068207.db2.gz IFOHRIXRQPOHQZ-NRFANRHFSA-N 0 0 347.849 5.726 50 0 in-vitro EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000019790446 212068268 /nfs/dbraw/zinc/06/82/68/212068268.db2.gz IFOHRIXRQPOHQZ-OAQYLSRUSA-N 0 0 347.849 5.726 50 0 in-vitro EKAARN Cc1ccc(-c2csc(=N)n2-c2cc(Cl)ccc2Cl)cc1C ZINC000019800249 564129029 /nfs/dbraw/zinc/12/90/29/564129029.db2.gz XMBZYRGMFZUGAW-UHFFFAOYSA-N 0 0 349.286 5.609 50 0 EKAARN Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)C2 ZINC000019801695 212070205 /nfs/dbraw/zinc/07/02/05/212070205.db2.gz FDEQBMWQOPAJFK-INIZCTEOSA-N 0 0 336.822 5.487 50 0 EKAARN Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1)C2 ZINC000019801697 212069610 /nfs/dbraw/zinc/06/96/10/212069610.db2.gz FDEQBMWQOPAJFK-MRXNPFEDSA-N 0 0 336.822 5.487 50 0 EKAARN Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccc(Cl)cc1)C2 ZINC000019801699 212070232 /nfs/dbraw/zinc/07/02/32/212070232.db2.gz WRWMUTFPVIBXCV-INIZCTEOSA-N 0 0 336.822 5.487 50 0 EKAARN Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000019801701 212069827 /nfs/dbraw/zinc/06/98/27/212069827.db2.gz WRWMUTFPVIBXCV-MRXNPFEDSA-N 0 0 336.822 5.487 50 0 EKAARN CCOc1cc(CNc2cc(-c3ccccc3)ccc2OC)ccc1O ZINC000019809301 212070696 /nfs/dbraw/zinc/07/06/96/212070696.db2.gz FOZJRGGQXZEGBM-UHFFFAOYSA-N 0 0 349.430 5.079 50 0 EKAARN FC(F)(F)c1cccc(CSc2nnc(-c3cccs3)o2)c1 ZINC000019809942 212070685 /nfs/dbraw/zinc/07/06/85/212070685.db2.gz GVTANPPQQAXOPF-UHFFFAOYSA-N 0 0 342.367 5.109 50 0 EKAARN CCN1[C@@H]2C=CC=C[C@@H]2c2ccccc2[C@@H]1C(Cl)(Cl)Cl ZINC000019815654 202022858 /nfs/dbraw/zinc/02/28/58/202022858.db2.gz JVBJKGXRMGJROW-BPLDGKMQSA-N 0 0 328.670 5.012 50 0 EKAARN CCN1[C@@H](C(Cl)(Cl)Cl)c2ccccc2[C@H]2C=CC=C[C@@H]21 ZINC000019815657 212072042 /nfs/dbraw/zinc/07/20/42/212072042.db2.gz JVBJKGXRMGJROW-VHDGCEQUSA-N 0 0 328.670 5.012 50 0 EKAARN Cc1ccc(-c2cc(Nc3ccc(N4CCCC4)cc3)nc(C)n2)cc1 ZINC000019822016 212072622 /nfs/dbraw/zinc/07/26/22/212072622.db2.gz WMLIFLVSTBQZNY-UHFFFAOYSA-N 0 0 344.462 5.104 50 0 EKAARN C/C(Cl)=C\Cc1c(C)[nH]c2ccc(Br)cc2c1=S ZINC000019832518 212073081 /nfs/dbraw/zinc/07/30/81/212073081.db2.gz KGTRTIZLVRXGHW-FPYGCLRLSA-N 0 0 342.689 5.653 50 0 EKAARN FC(F)(F)c1c(Cl)nc(N2CCCCCC2)c(Cl)c1Cl ZINC000019848293 212074922 /nfs/dbraw/zinc/07/49/22/212074922.db2.gz UZCPNMULNTYUHV-UHFFFAOYSA-N 0 0 347.595 5.441 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000019851448 212075996 /nfs/dbraw/zinc/07/59/96/212075996.db2.gz HZJRRCMQPKSHRC-FRVJLOGJSA-N 0 0 348.273 5.220 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000019851456 212076576 /nfs/dbraw/zinc/07/65/76/212076576.db2.gz HZJRRCMQPKSHRC-FVEFGIFQSA-N 0 0 348.273 5.220 50 0 EKAARN Cc1cc2c(c(C)c1Cl)CN(CCc1ccc(Cl)cc1)CO2 ZINC000019856926 212076055 /nfs/dbraw/zinc/07/60/55/212076055.db2.gz IYVRRNAIWKHOOV-UHFFFAOYSA-N 0 0 336.262 5.005 50 0 EKAARN Nc1cc(C(F)(F)F)ccc1Sc1ccc(Cl)c(Cl)c1 ZINC000019861773 212077556 /nfs/dbraw/zinc/07/75/56/212077556.db2.gz IFSZPAQARLZROA-UHFFFAOYSA-N 0 0 338.181 5.746 50 0 EKAARN Clc1ccc(-n2nc(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000019865926 212077397 /nfs/dbraw/zinc/07/73/97/212077397.db2.gz VAHZQJWBGRYHGA-UHFFFAOYSA-N 0 0 331.806 5.255 50 0 EKAARN Fc1cccc(Cl)c1CNC(c1ccccc1)c1ccccc1 ZINC000019871674 202024263 /nfs/dbraw/zinc/02/42/63/202024263.db2.gz JATLPCOUVWPKNJ-UHFFFAOYSA-N 0 0 325.814 5.358 50 0 EKAARN Cc1noc2c1N=C(c1ccc(C)cc1)C[C@H](c1ccc(F)cc1)C2 ZINC000019872804 212077426 /nfs/dbraw/zinc/07/74/26/212077426.db2.gz UYBPFSILSDDXOT-KRWDZBQOSA-N 0 0 334.394 5.281 50 0 EKAARN Cc1noc2c1N=C(c1ccc(C)cc1)C[C@@H](c1ccc(F)cc1)C2 ZINC000019872807 212077589 /nfs/dbraw/zinc/07/75/89/212077589.db2.gz UYBPFSILSDDXOT-QGZVFWFLSA-N 0 0 334.394 5.281 50 0 EKAARN Cc1noc2c1N=C(c1ccc(F)cc1)C[C@H](c1ccc(F)cc1)C2 ZINC000019872810 202024344 /nfs/dbraw/zinc/02/43/44/202024344.db2.gz GPSFKWNXOCEEJT-HNNXBMFYSA-N 0 0 338.357 5.112 50 0 EKAARN Cc1noc2c1N=C(c1ccc(F)cc1)C[C@@H](c1ccc(F)cc1)C2 ZINC000019872812 212077713 /nfs/dbraw/zinc/07/77/13/212077713.db2.gz GPSFKWNXOCEEJT-OAHLLOKOSA-N 0 0 338.357 5.112 50 0 EKAARN CC(C)(C)c1cc(Cn2cnc3ccccc32)cc(C(C)(C)C)c1O ZINC000019877740 564030521 /nfs/dbraw/zinc/03/05/21/564030521.db2.gz LBCVDGSZJUNULE-UHFFFAOYSA-N 0 0 336.479 5.385 50 0 EKAARN COc1ccccc1-c1cc2ccccc2cc1C1=NC(C)(C)CO1 ZINC000019877750 564030733 /nfs/dbraw/zinc/03/07/33/564030733.db2.gz CFCODGCNFNXIPO-UHFFFAOYSA-N 0 0 331.415 5.071 50 0 EKAARN COc1ccccc1[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 ZINC000019878332 564129089 /nfs/dbraw/zinc/12/90/89/564129089.db2.gz FZTRHBSIUWWWKB-NRFANRHFSA-N 0 0 341.410 5.110 50 0 EKAARN COc1ccccc1[C@H]1C=Cc2ccccc2N1C(=O)c1ccccc1 ZINC000019878334 564129064 /nfs/dbraw/zinc/12/90/64/564129064.db2.gz FZTRHBSIUWWWKB-OAQYLSRUSA-N 0 0 341.410 5.110 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1cccc(F)c1 ZINC000019879360 212078427 /nfs/dbraw/zinc/07/84/27/212078427.db2.gz FLKMWFWTSZVEMZ-NRFANRHFSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1cccc(F)c1 ZINC000019879362 212079006 /nfs/dbraw/zinc/07/90/06/212079006.db2.gz FLKMWFWTSZVEMZ-OAQYLSRUSA-N 0 0 331.394 5.212 50 0 EKAARN COc1cccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc32)c1 ZINC000019879370 212079047 /nfs/dbraw/zinc/07/90/47/212079047.db2.gz JHPOKNXDPYFIHU-JOCHJYFZSA-N 0 0 343.430 5.081 50 0 EKAARN COc1cccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc32)c1 ZINC000019879372 212078694 /nfs/dbraw/zinc/07/86/94/212078694.db2.gz JHPOKNXDPYFIHU-QFIPXVFZSA-N 0 0 343.430 5.081 50 0 EKAARN COc1ccccc1[C@@H](Nc1ccccn1)c1c(C)[nH]c2ccccc21 ZINC000019879375 212078994 /nfs/dbraw/zinc/07/89/94/212078994.db2.gz WLSLEHXCYQODQL-JOCHJYFZSA-N 0 0 343.430 5.081 50 0 EKAARN COc1ccccc1[C@H](Nc1ccccn1)c1c(C)[nH]c2ccccc21 ZINC000019879378 212078823 /nfs/dbraw/zinc/07/88/23/212078823.db2.gz WLSLEHXCYQODQL-QFIPXVFZSA-N 0 0 343.430 5.081 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1F ZINC000019879381 212078573 /nfs/dbraw/zinc/07/85/73/212078573.db2.gz VYDANKDLUMDGAT-NRFANRHFSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccc1F ZINC000019879384 212078410 /nfs/dbraw/zinc/07/84/10/212078410.db2.gz VYDANKDLUMDGAT-OAQYLSRUSA-N 0 0 331.394 5.212 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1cccc(Cl)c1 ZINC000019879399 212078798 /nfs/dbraw/zinc/07/87/98/212078798.db2.gz NMJYNSBYFFOCRI-NRFANRHFSA-N 0 0 347.849 5.726 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1cccc(Cl)c1 ZINC000019879402 202025880 /nfs/dbraw/zinc/02/58/80/202025880.db2.gz NMJYNSBYFFOCRI-OAQYLSRUSA-N 0 0 347.849 5.726 50 0 EKAARN COc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc32)cc1 ZINC000019902440 212081834 /nfs/dbraw/zinc/08/18/34/212081834.db2.gz RCIGOSNBBDUIQM-JOCHJYFZSA-N 0 0 343.430 5.081 50 0 EKAARN COc1ccc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc32)cc1 ZINC000019902442 212081796 /nfs/dbraw/zinc/08/17/96/212081796.db2.gz RCIGOSNBBDUIQM-QFIPXVFZSA-N 0 0 343.430 5.081 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000019909038 212082620 /nfs/dbraw/zinc/08/26/20/212082620.db2.gz MOJNSWKMXSYRMU-UHFFFAOYSA-N 0 0 336.822 6.019 50 0 EKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2)cc(C(C)(C)C)c1O ZINC000019909623 564103367 /nfs/dbraw/zinc/10/33/67/564103367.db2.gz JNMHAGXZYJDMRC-UHFFFAOYSA-N 0 0 325.452 5.240 50 0 EKAARN CCOC(=O)c1cc2ccccc2nc1CSc1ccc(C)cc1 ZINC000019909764 202025516 /nfs/dbraw/zinc/02/55/16/202025516.db2.gz MSHDXJWMSHHPPP-UHFFFAOYSA-N 0 0 337.444 5.012 50 0 EKAARN CN(Cc1cccc2ccccc21)Cc1c(Cl)cccc1Cl ZINC000019911863 212082474 /nfs/dbraw/zinc/08/24/74/212082474.db2.gz PEDOBAMKKNAKNJ-UHFFFAOYSA-N 0 0 330.258 5.779 50 0 EKAARN CCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912373 212084096 /nfs/dbraw/zinc/08/40/96/212084096.db2.gz PHWIMVMNWHJCBG-GGAORHGYSA-N 0 0 342.442 5.510 50 0 EKAARN CCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000019912374 212083266 /nfs/dbraw/zinc/08/32/66/212083266.db2.gz PHWIMVMNWHJCBG-FYYLOGMGSA-N 0 0 342.442 5.510 50 0 EKAARN Cc1ccccc1-c1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000019923001 212084902 /nfs/dbraw/zinc/08/49/02/212084902.db2.gz YJOJHBKILUYFON-UHFFFAOYSA-N 0 0 325.824 5.087 50 0 EKAARN Cc1ccc2onc(-c3cnc4c(c3)COc3ccc(C)cc3-4)c2c1 ZINC000019926397 564129106 /nfs/dbraw/zinc/12/91/06/564129106.db2.gz LSZUABMQMKYTKM-UHFFFAOYSA-N 0 0 328.371 5.066 50 0 EKAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000019927266 202026588 /nfs/dbraw/zinc/02/65/88/202026588.db2.gz XVGWHCDNPLRHGF-MRXNPFEDSA-N 0 0 338.259 5.080 50 0 EKAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000019927270 212084691 /nfs/dbraw/zinc/08/46/91/212084691.db2.gz XVGWHCDNPLRHGF-INIZCTEOSA-N 0 0 338.259 5.080 50 0 EKAARN CC(C)c1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(F)cc2)cc1 ZINC000019927711 202026288 /nfs/dbraw/zinc/02/62/88/202026288.db2.gz XCURUCBCVTUELW-ORAYPTAESA-N 0 0 329.440 5.116 50 0 EKAARN CC(C)c1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccc(F)cc2)cc1 ZINC000019927714 212085671 /nfs/dbraw/zinc/08/56/71/212085671.db2.gz XCURUCBCVTUELW-DJJJIMSYSA-N 0 0 329.440 5.116 50 0 EKAARN CC(C)c1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(F)cc2)cc1 ZINC000019927717 212085402 /nfs/dbraw/zinc/08/54/02/212085402.db2.gz XCURUCBCVTUELW-BFUOFWGJSA-N 0 0 329.440 5.116 50 0 EKAARN CC(C)c1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(F)cc2)cc1 ZINC000019927720 202026036 /nfs/dbraw/zinc/02/60/36/202026036.db2.gz XCURUCBCVTUELW-YJYMSZOUSA-N 0 0 329.440 5.116 50 0 EKAARN Clc1ccc(-c2nc3scc(-c4ccccc4)n3n2)c(Cl)c1 ZINC000019927794 212085544 /nfs/dbraw/zinc/08/55/44/212085544.db2.gz IUWJIAIFPGRYMO-UHFFFAOYSA-N 0 0 346.242 5.432 50 0 EKAARN CC(C)(C)c1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1 ZINC000019927801 212085619 /nfs/dbraw/zinc/08/56/19/212085619.db2.gz TXUPTCBECVQAMX-UHFFFAOYSA-N 0 0 333.460 5.422 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2C)cc1 ZINC000019945467 212089389 /nfs/dbraw/zinc/08/93/89/212089389.db2.gz UOFVEFNYDOFXMB-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN Fc1ccc(CSc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000019957046 202028180 /nfs/dbraw/zinc/02/81/80/202028180.db2.gz IUEDHBLMKSFSGG-UHFFFAOYSA-N 0 0 346.430 5.728 50 0 EKAARN COc1ccc(-c2csc3ncnc(Nc4cccc(C)c4)c23)cc1 ZINC000019959470 212090389 /nfs/dbraw/zinc/09/03/89/212090389.db2.gz YGWZIFYIOPTMGE-UHFFFAOYSA-N 0 0 347.443 5.419 50 0 EKAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccoc2C)cc1 ZINC000020008624 202029095 /nfs/dbraw/zinc/02/90/95/202029095.db2.gz IQMBJWXXVJQINT-UHFFFAOYSA-N 0 0 337.375 5.031 50 0 EKAARN Clc1ccc(COc2ccccc2Br)c(Cl)c1 ZINC000020020401 202028691 /nfs/dbraw/zinc/02/86/91/202028691.db2.gz CSBSSYORAADEPO-UHFFFAOYSA-N 0 0 332.024 5.335 50 0 EKAARN FC(F)(F)c1cnc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020031484 212095768 /nfs/dbraw/zinc/09/57/68/212095768.db2.gz UBFKMJSSZSEECA-UHFFFAOYSA-N 0 0 342.531 5.853 50 0 EKAARN Cc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020031828 202029030 /nfs/dbraw/zinc/02/90/30/202029030.db2.gz SCKXOOJZTRQSHD-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN CCCCCCC1CCC(c2nc(Cc3ccccc3)no2)CC1 ZINC000020058096 212099130 /nfs/dbraw/zinc/09/91/30/212099130.db2.gz ODMCBBYKAWSIFF-UHFFFAOYSA-N 0 0 326.484 5.905 50 0 EKAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1(c2ccccc2)CCCC1 ZINC000020069103 563857563 /nfs/dbraw/zinc/85/75/63/563857563.db2.gz POLPGHNZUAZXSN-MRXNPFEDSA-N 0 0 337.438 5.005 50 0 EKAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)C1(c2ccccc2)CCCC1 ZINC000020069106 563857556 /nfs/dbraw/zinc/85/75/56/563857556.db2.gz POLPGHNZUAZXSN-INIZCTEOSA-N 0 0 337.438 5.005 50 0 EKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000020070118 212099299 /nfs/dbraw/zinc/09/92/99/212099299.db2.gz RSBTZIRWFSTYRT-UNMCSNQZSA-N 0 0 344.389 5.068 50 0 EKAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000020070120 212099567 /nfs/dbraw/zinc/09/95/67/212099567.db2.gz RSBTZIRWFSTYRT-IRLDBZIGSA-N 0 0 344.389 5.068 50 0 EKAARN COc1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000020085903 563857592 /nfs/dbraw/zinc/85/75/92/563857592.db2.gz OFQHJDQONOGHGC-UHFFFAOYSA-N 0 0 349.411 5.497 50 0 in-vivo EKAARN CC(C)c1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000020114001 212103473 /nfs/dbraw/zinc/10/34/73/212103473.db2.gz XOYLOFIZMWFPGK-SXGWCWSVSA-N 0 0 342.236 5.065 50 0 EKAARN Clc1ccc(-c2ccnc(SCc3ccccc3Cl)n2)cc1 ZINC000020120550 212103979 /nfs/dbraw/zinc/10/39/79/212103979.db2.gz TTWSZEDCEDQQFL-UHFFFAOYSA-N 0 0 347.270 5.743 50 0 EKAARN COc1ccc(-c2nc3sccn3c2Nc2cc(C)ccc2C)cc1 ZINC000020138856 212105347 /nfs/dbraw/zinc/10/53/47/212105347.db2.gz RWIBDMZJIGXBOJ-UHFFFAOYSA-N 0 0 349.459 5.432 50 0 EKAARN Cc1ccc(C)c(Nc2c(-c3ccc(O)cc3)nc3sccn32)c1 ZINC000020138862 212105344 /nfs/dbraw/zinc/10/53/44/212105344.db2.gz RLTGVFHUMHYPMK-UHFFFAOYSA-N 0 0 335.432 5.129 50 0 EKAARN C/C=C/CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000020160113 212107168 /nfs/dbraw/zinc/10/71/68/212107168.db2.gz XLZUFMJKPWJSDL-NSCUHMNNSA-N 0 0 336.498 6.622 50 0 EKAARN Cc1ccc(Nc2c(-c3ccccc3)nc3ncccn32)cc1Cl ZINC000020182041 212109271 /nfs/dbraw/zinc/10/92/71/212109271.db2.gz PFLALRWGMPHWRI-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN Cc1ccc(Nc2c(-c3ccsc3)nc3ncccn32)cc1Cl ZINC000020182049 202035947 /nfs/dbraw/zinc/03/59/47/202035947.db2.gz XWNKEGVFQCKGOR-UHFFFAOYSA-N 0 0 340.839 5.163 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1Cl ZINC000020192159 212109202 /nfs/dbraw/zinc/10/92/02/212109202.db2.gz MNFSWWKLCKBJSJ-NRFANRHFSA-N 0 0 347.849 5.726 50 0 EKAARN Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccc1Cl ZINC000020192161 212109663 /nfs/dbraw/zinc/10/96/63/212109663.db2.gz MNFSWWKLCKBJSJ-OAQYLSRUSA-N 0 0 347.849 5.726 50 0 EKAARN CCc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020192194 212109116 /nfs/dbraw/zinc/10/91/16/212109116.db2.gz OJPXBGMHLOWFKM-LLVKDONJSA-N 0 0 337.250 5.439 50 0 EKAARN CCc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000020192197 212109590 /nfs/dbraw/zinc/10/95/90/212109590.db2.gz OJPXBGMHLOWFKM-NSHDSACASA-N 0 0 337.250 5.439 50 0 EKAARN CCc1ccccc1NC(=O)N(Cc1ccccc1F)C1CCCC1 ZINC000020213625 212111539 /nfs/dbraw/zinc/11/15/39/212111539.db2.gz YZMNWQFSEFGCKN-UHFFFAOYSA-N 0 0 340.442 5.365 50 0 EKAARN Clc1ccc(COc2ccccc2Br)cc1Cl ZINC000020298106 212116972 /nfs/dbraw/zinc/11/69/72/212116972.db2.gz AFJOJSPBFFMACK-UHFFFAOYSA-N 0 0 332.024 5.335 50 0 EKAARN FC(F)(F)c1cccc(COc2ccc(Br)cc2)c1 ZINC000020298237 212116600 /nfs/dbraw/zinc/11/66/00/212116600.db2.gz WRKZMCJGHQDNHS-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN 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Cc1ccc(NC(=O)c2cc3cccc4c3n2C[C@@H](C)S4)c(C)c1 ZINC000020559808 212147076 /nfs/dbraw/zinc/14/70/76/212147076.db2.gz QCOCYZBRWXILFZ-CQSZACIVSA-N 0 0 336.460 5.005 50 0 EKAARN Cc1ccc(NC(=O)c2cc3cccc4c3n2C[C@H](C)S4)c(C)c1 ZINC000020559810 212146750 /nfs/dbraw/zinc/14/67/50/212146750.db2.gz QCOCYZBRWXILFZ-AWEZNQCLSA-N 0 0 336.460 5.005 50 0 EKAARN Cc1cc(C)cc(NC(=O)c2cc3cccc4c3n2C[C@@H](C)S4)c1 ZINC000020559824 212146729 /nfs/dbraw/zinc/14/67/29/212146729.db2.gz XVWSDNLVNDIUCV-CQSZACIVSA-N 0 0 336.460 5.005 50 0 EKAARN Cc1cc(C)cc(NC(=O)c2cc3cccc4c3n2C[C@H](C)S4)c1 ZINC000020559826 212146912 /nfs/dbraw/zinc/14/69/12/212146912.db2.gz XVWSDNLVNDIUCV-AWEZNQCLSA-N 0 0 336.460 5.005 50 0 EKAARN COc1cccc2c1N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@@H]2C ZINC000020569407 536958511 /nfs/dbraw/zinc/95/85/11/536958511.db2.gz HLLGHFADSLEKIG-ZDUSSCGKSA-N 0 0 343.854 5.281 50 0 EKAARN COc1cccc2c1N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@H]2C ZINC000020569409 563859642 /nfs/dbraw/zinc/85/96/42/563859642.db2.gz 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563862516 /nfs/dbraw/zinc/86/25/16/563862516.db2.gz OLGBKEDKADKTPD-NSHDSACASA-N 0 0 332.856 5.216 50 0 EKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1cccs1 ZINC000022358159 212293071 /nfs/dbraw/zinc/29/30/71/212293071.db2.gz UNHVZYMLLNCHOL-CQSZACIVSA-N 0 0 330.478 5.110 50 0 EKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1cccs1 ZINC000022358161 212292873 /nfs/dbraw/zinc/29/28/73/212292873.db2.gz UNHVZYMLLNCHOL-AWEZNQCLSA-N 0 0 330.478 5.110 50 0 EKAARN Cc1oc(-c2cccs2)nc1CN(C)Cc1ccc(Cl)s1 ZINC000022358163 563862882 /nfs/dbraw/zinc/86/28/82/563862882.db2.gz VHRPKAAQBFVUTG-UHFFFAOYSA-N 0 0 338.885 5.058 50 0 EKAARN CN(Cc1ccc2ccccc2c1)C(=O)Nc1nc2ccccc2s1 ZINC000022387317 212294158 /nfs/dbraw/zinc/29/41/58/212294158.db2.gz WWLFITOTMCLIKG-UHFFFAOYSA-N 0 0 347.443 5.113 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000022390827 564129101 /nfs/dbraw/zinc/12/91/01/564129101.db2.gz UFJLUYPMMZVFGL-UHFFFAOYSA-N 0 0 339.822 5.778 50 0 EKAARN COc1ccc(C)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000022395793 202084559 /nfs/dbraw/zinc/08/45/59/202084559.db2.gz SRRIOFPPVGYTJM-UHFFFAOYSA-N 0 0 341.794 5.169 50 0 EKAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1 ZINC000022414143 212295675 /nfs/dbraw/zinc/29/56/75/212295675.db2.gz CTKVSSIXSSKTJM-UHFFFAOYSA-N 0 0 338.794 5.088 50 0 EKAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000022417492 202085440 /nfs/dbraw/zinc/08/54/40/202085440.db2.gz QSYNXNDDESOPBN-SNVBAGLBSA-N 0 0 349.377 5.152 50 0 EKAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2c(cccc2F)s1 ZINC000022417494 202085267 /nfs/dbraw/zinc/08/52/67/202085267.db2.gz QSYNXNDDESOPBN-JTQLQIEISA-N 0 0 349.377 5.152 50 0 EKAARN Clc1ccc(-c2csc(NCc3ccco3)n2)c(Cl)c1 ZINC000022459743 202085026 /nfs/dbraw/zinc/08/50/26/202085026.db2.gz DOJPTMOJDBPPNV-UHFFFAOYSA-N 0 0 325.220 5.322 50 0 EKAARN Cc1sc(NCc2ccco2)nc1-c1ccc(Br)cc1 ZINC000022459806 212298689 /nfs/dbraw/zinc/29/86/89/212298689.db2.gz WKQCIKAVTNMYGI-UHFFFAOYSA-N 0 0 349.253 5.086 50 0 EKAARN Cc1ccc(C)c(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000022460345 212297658 /nfs/dbraw/zinc/29/76/58/212297658.db2.gz BLNBBAPGQJMJBI-UHFFFAOYSA-N 0 0 343.857 6.839 50 0 EKAARN CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1 ZINC000022460389 212297941 /nfs/dbraw/zinc/29/79/41/212297941.db2.gz QMZZWNOQNAUUBX-UHFFFAOYSA-N 0 0 338.410 5.527 50 0 EKAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)NC1CCCCC1 ZINC000022479661 212300517 /nfs/dbraw/zinc/30/05/17/212300517.db2.gz BAJJZIQENRBCJV-UHFFFAOYSA-N 0 0 341.436 5.011 50 0 EKAARN O=C(Nc1cccs1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000022479698 212300944 /nfs/dbraw/zinc/30/09/44/212300944.db2.gz YIBKZIVHFJJWDW-UHFFFAOYSA-N 0 0 341.417 5.262 50 0 EKAARN c1coc(-c2nc(CSC3=Nc4ccccc4CS3)cs2)c1 ZINC000022519462 212302989 /nfs/dbraw/zinc/30/29/89/212302989.db2.gz XXBQLIKAJYFDQK-UHFFFAOYSA-N 0 0 344.486 5.571 50 0 EKAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000022611619 212311550 /nfs/dbraw/zinc/31/15/50/212311550.db2.gz YBVUMRLMWIROJL-GOSISDBHSA-N 0 0 348.471 5.096 50 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5.076 50 0 EKAARN CCOc1ccc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1 ZINC000022620533 212312006 /nfs/dbraw/zinc/31/20/06/212312006.db2.gz VTPNCFQSBMCLGF-UHFFFAOYSA-N 0 0 343.492 5.220 50 0 EKAARN CCOc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)s2)cc1 ZINC000022620594 212312498 /nfs/dbraw/zinc/31/24/98/212312498.db2.gz ZQCAESODSGWGMN-UHFFFAOYSA-N 0 0 343.492 5.219 50 0 EKAARN CC(C)CN(CC(C)C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000022620912 212312276 /nfs/dbraw/zinc/31/22/76/212312276.db2.gz GTQOCCBRTPRQRE-UHFFFAOYSA-N 0 0 349.927 5.823 50 0 EKAARN CCCCN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022621919 202088410 /nfs/dbraw/zinc/08/84/10/202088410.db2.gz NBPSQQGVEDXTFW-UHFFFAOYSA-N 0 0 341.398 5.306 50 0 EKAARN CCOc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CC)s2)cc1 ZINC000022621961 212312067 /nfs/dbraw/zinc/31/20/67/212312067.db2.gz WHTBJRRUAPJBAK-INIZCTEOSA-N 0 0 343.492 5.219 50 0 EKAARN CCOc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CC)s2)cc1 ZINC000022621964 202088394 /nfs/dbraw/zinc/08/83/94/202088394.db2.gz WHTBJRRUAPJBAK-MRXNPFEDSA-N 0 0 343.492 5.219 50 0 EKAARN CC(C)CN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022622448 212312416 /nfs/dbraw/zinc/31/24/16/212312416.db2.gz DLLIDTNEAHOSAO-UHFFFAOYSA-N 0 0 341.398 5.162 50 0 EKAARN CC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCCC1 ZINC000022622506 212312235 /nfs/dbraw/zinc/31/22/35/212312235.db2.gz NOJWFCJXLXKISP-UHFFFAOYSA-N 0 0 345.483 5.738 50 0 EKAARN O=C(NC1CCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022622726 202088566 /nfs/dbraw/zinc/08/85/66/202088566.db2.gz COHVHOJFLWZVRB-UHFFFAOYSA-N 0 0 339.382 5.106 50 0 EKAARN CCN(C(=O)c1ccc(-c2cccc(Cl)c2)s1)C1CCCCC1 ZINC000022622761 202088600 /nfs/dbraw/zinc/08/86/00/202088600.db2.gz NJXPZZDNMROYHJ-UHFFFAOYSA-N 0 0 347.911 5.863 50 0 EKAARN CCCN(CC)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022623054 212312012 /nfs/dbraw/zinc/31/20/12/212312012.db2.gz JIOSNXWYRDPKPF-UHFFFAOYSA-N 0 0 341.398 5.306 50 0 EKAARN CCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)s1)C1CCCCC1 ZINC000022626109 212313358 /nfs/dbraw/zinc/31/33/58/212313358.db2.gz VNLOYOQRQHDQBR-UHFFFAOYSA-N 0 0 349.446 5.488 50 0 EKAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)C1CCCCC1 ZINC000022630851 212313938 /nfs/dbraw/zinc/31/39/38/212313938.db2.gz GYFZGBUVXSLHSA-UHFFFAOYSA-N 0 0 341.476 5.102 50 0 EKAARN Cc1ccc(Cc2nc(CSCc3ccccc3)cs2)cc1 ZINC000022640868 202088990 /nfs/dbraw/zinc/08/89/90/202088990.db2.gz MVVGBYKUQWLZPO-UHFFFAOYSA-N 0 0 325.502 5.476 50 0 EKAARN Cc1ccc(Cc2nc(CSCCc3ccccc3)cs2)cc1 ZINC000022644130 212313895 /nfs/dbraw/zinc/31/38/95/212313895.db2.gz JWUQNZGXKZDWJX-UHFFFAOYSA-N 0 0 339.529 5.518 50 0 EKAARN CC(C)(C)c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000022647590 212315183 /nfs/dbraw/zinc/31/51/83/212315183.db2.gz BQPUMSIBTVHNBZ-UHFFFAOYSA-N 0 0 330.225 5.555 50 0 EKAARN Cc1ccc(Cc2nc(CSc3cccc(C)c3)cs2)cc1 ZINC000022648044 202089022 /nfs/dbraw/zinc/08/90/22/202089022.db2.gz SDLXLZCLSKTWHS-UHFFFAOYSA-N 0 0 325.502 5.643 50 0 EKAARN Cc1ccc(CSCc2csc(Cc3ccc(C)cc3)n2)cc1 ZINC000022649877 212314604 /nfs/dbraw/zinc/31/46/04/212314604.db2.gz HKKBEEDTTOSPKD-UHFFFAOYSA-N 0 0 339.529 5.784 50 0 EKAARN Cc1ccc(Cc2nc(CSc3ccc(F)cc3)cs2)cc1 ZINC000022650110 202088757 /nfs/dbraw/zinc/08/87/57/202088757.db2.gz ABCYGLGGPFKTPX-UHFFFAOYSA-N 0 0 329.465 5.474 50 0 EKAARN Cc1ccc(Cc2nc(CSCc3cccc(C)c3)cs2)cc1 ZINC000022650577 212314400 /nfs/dbraw/zinc/31/44/00/212314400.db2.gz YVBSOBZVGTXUJX-UHFFFAOYSA-N 0 0 339.529 5.784 50 0 EKAARN Cc1ccc(Cc2nc(CSCc3cccs3)cs2)cc1 ZINC000022651786 212314537 /nfs/dbraw/zinc/31/45/37/212314537.db2.gz HOPXVKKGZOXIHG-UHFFFAOYSA-N 0 0 331.531 5.537 50 0 EKAARN Cc1ccc(Cc2nc(CSc3ccccc3F)cs2)cc1 ZINC000022652457 202088455 /nfs/dbraw/zinc/08/84/55/202088455.db2.gz GGCAAEJCSNRYRU-UHFFFAOYSA-N 0 0 329.465 5.474 50 0 EKAARN CCOc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1OC ZINC000022652772 202088892 /nfs/dbraw/zinc/08/88/92/202088892.db2.gz ZJAAIVKPBMMTJQ-UHFFFAOYSA-N 0 0 325.408 5.200 50 0 EKAARN Cc1ccc(Cc2nc(CSCc3ccc(F)cc3)cs2)cc1 ZINC000022652817 212315049 /nfs/dbraw/zinc/31/50/49/212315049.db2.gz LWWHOZQCVZRTNT-UHFFFAOYSA-N 0 0 343.492 5.615 50 0 EKAARN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022653121 202088462 /nfs/dbraw/zinc/08/84/62/202088462.db2.gz CCUKVSMBEOKJBC-UHFFFAOYSA-N 0 0 347.462 5.006 50 0 EKAARN CCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000022653192 212314942 /nfs/dbraw/zinc/31/49/42/212314942.db2.gz UMOMNYZQCWMHED-UHFFFAOYSA-N 0 0 333.435 5.058 50 0 EKAARN CCOc1cc(-c2nc3cc(C(C)(C)C)ccc3o2)ccc1OC ZINC000022653202 212314849 /nfs/dbraw/zinc/31/48/49/212314849.db2.gz LEVCLRWVQPCYRJ-UHFFFAOYSA-N 0 0 325.408 5.200 50 0 EKAARN CCCN(CCC)C(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022653684 202090022 /nfs/dbraw/zinc/09/00/22/202090022.db2.gz UFRJFMHCEUBKRR-UHFFFAOYSA-N 0 0 347.462 5.006 50 0 EKAARN Cc1cccc(SCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000022656170 202090175 /nfs/dbraw/zinc/09/01/75/202090175.db2.gz IDPNGGUEMPMGSM-UHFFFAOYSA-N 0 0 331.893 6.064 50 0 EKAARN COc1ccc(SCc2csc(Cc3ccc(C)cc3)n2)cc1 ZINC000022656367 212314907 /nfs/dbraw/zinc/31/49/07/212314907.db2.gz CSHIOIOMZUPAKR-UHFFFAOYSA-N 0 0 341.501 5.343 50 0 EKAARN CCOc1c(OC)cccc1-c1nc2cc(C(C)(C)C)ccc2o1 ZINC000022656673 212314896 /nfs/dbraw/zinc/31/48/96/212314896.db2.gz RPHURBZCMXAXCP-UHFFFAOYSA-N 0 0 325.408 5.200 50 0 EKAARN Cc1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1 ZINC000022657103 212314379 /nfs/dbraw/zinc/31/43/79/212314379.db2.gz YDHMAJDPVKJPHD-UHFFFAOYSA-N 0 0 331.893 6.064 50 0 EKAARN Cc1ccc(Cc2nc(CSc3cc(C)cc(C)c3)cs2)cc1 ZINC000022657206 212315308 /nfs/dbraw/zinc/31/53/08/212315308.db2.gz PNHFTGMXWRKUHK-UHFFFAOYSA-N 0 0 339.529 5.951 50 0 EKAARN CCc1ccccc1SCc1csc(Cc2ccc(C)cc2)n1 ZINC000022657261 212314198 /nfs/dbraw/zinc/31/41/98/212314198.db2.gz VHEMPZZRCZHREW-UHFFFAOYSA-N 0 0 339.529 5.897 50 0 EKAARN Cc1ccc(Cc2nc(CSc3ccc(C)cc3C)cs2)cc1 ZINC000022657391 212314638 /nfs/dbraw/zinc/31/46/38/212314638.db2.gz QKFIHLPXGJGXFG-UHFFFAOYSA-N 0 0 339.529 5.951 50 0 EKAARN Cc1ccc(CSCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000022657927 212314367 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ZINC000023114980 212349199 /nfs/dbraw/zinc/34/91/99/212349199.db2.gz OUGTUDIYPOFHCL-UHFFFAOYSA-N 0 0 334.467 5.066 50 0 EKAARN Cc1nn2c(nc(C)cc2Nc2ccc(F)cc2)c1-c1ccc(C)cc1 ZINC000023114981 202098244 /nfs/dbraw/zinc/09/82/44/202098244.db2.gz XIKXMAQNMYGUFI-UHFFFAOYSA-N 0 0 346.409 5.204 50 0 EKAARN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2ccc(Cl)cc2)cc1 ZINC000023114994 202098178 /nfs/dbraw/zinc/09/81/78/202098178.db2.gz BKBFLSRSPIKBRK-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)cnn32)cc1 ZINC000023114996 212349288 /nfs/dbraw/zinc/34/92/88/212349288.db2.gz DFQMTJIPQOZTSL-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2cccc(Cl)c2)cc1 ZINC000023114998 212349629 /nfs/dbraw/zinc/34/96/29/212349629.db2.gz CSWUETMWHQMYFL-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2ccc(C)c(C)c2)cc1 ZINC000023115000 202097438 /nfs/dbraw/zinc/09/74/38/202097438.db2.gz ILMKCVNOJOYTHR-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1ccc(-c2cnn3c2nc(C)cc3Nc2cc(C)cc(C)c2)cc1 ZINC000023115003 212349085 /nfs/dbraw/zinc/34/90/85/212349085.db2.gz NCDZLHFXXLSSMW-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN CCc1nn2c(nc(C)cc2Nc2ccc(C)cc2)c1-c1ccccc1 ZINC000023115009 212349729 /nfs/dbraw/zinc/34/97/29/212349729.db2.gz YETHICVZVUZWFB-UHFFFAOYSA-N 0 0 342.446 5.319 50 0 EKAARN Cc1cccc(C)c1N(Cc1ccco1)C(=O)CC1CCCCC1 ZINC000023115146 563918649 /nfs/dbraw/zinc/91/86/49/563918649.db2.gz CHTAIYIAJKCWFE-UHFFFAOYSA-N 0 0 325.452 5.400 50 0 EKAARN Cc1ccccc1CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000023126578 202099130 /nfs/dbraw/zinc/09/91/30/202099130.db2.gz UPEIUBYVXLUQSO-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 EKAARN Cc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 ZINC000023126579 212351001 /nfs/dbraw/zinc/35/10/01/212351001.db2.gz SCBQFWUQTYIGDW-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 EKAARN Cc1ccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 ZINC000023126580 202099555 /nfs/dbraw/zinc/09/95/55/202099555.db2.gz CXEXVCJKVZRUBT-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 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/nfs/dbraw/zinc/36/92/64/212369264.db2.gz IQEWYOZNJHBSHR-UHFFFAOYSA-N 0 0 339.316 6.181 50 0 EKAARN Cc1cccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1 ZINC000023330632 212368670 /nfs/dbraw/zinc/36/86/70/212368670.db2.gz DDJRXZAKDYLPFY-UHFFFAOYSA-N 0 0 329.355 5.199 50 0 EKAARN Cc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023331548 212368719 /nfs/dbraw/zinc/36/87/19/212368719.db2.gz KZYLKJIFVIGESP-UHFFFAOYSA-N 0 0 329.355 5.199 50 0 EKAARN Fc1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc1 ZINC000023332054 202102082 /nfs/dbraw/zinc/10/20/82/202102082.db2.gz ZWLAHQSDHYYUQA-UHFFFAOYSA-N 0 0 333.318 5.030 50 0 EKAARN Fc1cccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1 ZINC000023332701 212369111 /nfs/dbraw/zinc/36/91/11/212369111.db2.gz KASOSLDMQKQSMI-UHFFFAOYSA-N 0 0 333.318 5.030 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4ccc(C)cc4)oc3c2)cc1C ZINC000023333523 212368557 /nfs/dbraw/zinc/36/85/57/212368557.db2.gz ISEHBMANXREULH-UHFFFAOYSA-N 0 0 343.426 6.096 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4cccc(C)c4)oc3c2)cc1C ZINC000023334052 212369412 /nfs/dbraw/zinc/36/94/12/212369412.db2.gz QTPNPXBJHZYNAG-UHFFFAOYSA-N 0 0 343.426 6.096 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4ccccc4C)oc3c2)cc1C ZINC000023334676 202102078 /nfs/dbraw/zinc/10/20/78/202102078.db2.gz LUPWNPXKCDQZSM-UHFFFAOYSA-N 0 0 343.426 6.096 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1C ZINC000023334926 212369044 /nfs/dbraw/zinc/36/90/44/212369044.db2.gz HLWYINUJKDJNDD-UHFFFAOYSA-N 0 0 347.389 5.926 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4)oc3c2)cc1C ZINC000023335191 212369027 /nfs/dbraw/zinc/36/90/27/212369027.db2.gz AAIABEGIQMPMPC-UHFFFAOYSA-N 0 0 347.389 5.926 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4ccccc4O)oc3c2)cc1C ZINC000023335282 212368793 /nfs/dbraw/zinc/36/87/93/212368793.db2.gz ZMUTXGVCCIEYMF-UHFFFAOYSA-N 0 0 345.398 5.493 50 0 EKAARN Cc1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc1C ZINC000023335424 212369397 /nfs/dbraw/zinc/36/93/97/212369397.db2.gz VLBIUJJUDOFFRU-UHFFFAOYSA-N 0 0 343.382 5.507 50 0 EKAARN COc1c(C)cc(-c2ccc3nc(-c4ccccc4F)oc3c2)cc1C ZINC000023335621 212368890 /nfs/dbraw/zinc/36/88/90/212368890.db2.gz AWXFNYUYERTFDD-UHFFFAOYSA-N 0 0 347.389 5.926 50 0 EKAARN Cc1cc(C)cc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1 ZINC000023335623 212369371 /nfs/dbraw/zinc/36/93/71/212369371.db2.gz VOIHWFBRMBSCSY-UHFFFAOYSA-N 0 0 343.382 5.507 50 0 EKAARN CCc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023335755 212369526 /nfs/dbraw/zinc/36/95/26/212369526.db2.gz AQSOMGMUECBUFZ-UHFFFAOYSA-N 0 0 343.382 5.453 50 0 EKAARN Cc1ccc(C)c(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1 ZINC000023335983 212369538 /nfs/dbraw/zinc/36/95/38/212369538.db2.gz YZRPLEAQFMSZBC-UHFFFAOYSA-N 0 0 343.382 5.507 50 0 EKAARN Cc1cccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1C ZINC000023336035 212368958 /nfs/dbraw/zinc/36/89/58/212368958.db2.gz NFMLTNFFVCJXGK-UHFFFAOYSA-N 0 0 343.382 5.507 50 0 EKAARN Clc1ccccc1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023336692 212368857 /nfs/dbraw/zinc/36/88/57/212368857.db2.gz OYWKVCBZKODSEL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/22/83/212382283.db2.gz FHMYXZJSUCPNII-IFMALSPDSA-N 0 0 330.431 5.147 50 0 EKAARN Cc1oc(-c2cccs2)nc1COc1cccc2ccc(C)nc21 ZINC000023613685 212384389 /nfs/dbraw/zinc/38/43/89/212384389.db2.gz PMCXVIRIVWUHJF-UHFFFAOYSA-N 0 0 336.416 5.147 50 0 EKAARN COc1ccc(Cc2nc(-c3cc(C)sc3C)cs2)cc1OC ZINC000023624957 202105398 /nfs/dbraw/zinc/10/53/98/202105398.db2.gz OIOGPMBJFWFPEX-UHFFFAOYSA-N 0 0 345.489 5.096 50 0 EKAARN CC(C)c1nnc(SCc2ccccc2Oc2ccccc2)[nH]1 ZINC000023973742 563867944 /nfs/dbraw/zinc/86/79/44/563867944.db2.gz STNINBSZLKYLSP-UHFFFAOYSA-N 0 0 325.437 5.013 50 0 EKAARN Clc1ccccc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000024040030 563868475 /nfs/dbraw/zinc/86/84/75/563868475.db2.gz YAESFJXHSGDRRA-UHFFFAOYSA-N 0 0 333.778 5.138 50 0 EKAARN Cc1ccc(Oc2nc(-c3ccncc3)nc3ccccc32)cc1C ZINC000024040477 563868461 /nfs/dbraw/zinc/86/84/61/563868461.db2.gz LGGBBPAPVIURJE-UHFFFAOYSA-N 0 0 327.387 5.101 50 0 EKAARN Cc1ccc(Cl)c(Oc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000024040794 202111878 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50 0 EKAARN O=C(Nc1nc(C2CC2)cs1)c1ccccc1Oc1ccccc1 ZINC000025560406 564056235 /nfs/dbraw/zinc/05/62/35/564056235.db2.gz ILZMYDJSKPBIRL-UHFFFAOYSA-N 0 0 336.416 5.065 50 0 EKAARN O=C(Nc1nc(C2CC2)cs1)c1sc2ccccc2c1Cl ZINC000025560795 212487796 /nfs/dbraw/zinc/48/77/96/212487796.db2.gz LRTBMGONOFJEIC-UHFFFAOYSA-N 0 0 334.853 5.141 50 0 EKAARN FC(F)(F)c1cnc(N[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000025562084 564038161 /nfs/dbraw/zinc/03/81/61/564038161.db2.gz MXOMMQRTMFMCHK-CQSZACIVSA-N 0 0 326.749 5.243 50 0 EKAARN FC(F)(F)c1cnc(N[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000025562088 212487369 /nfs/dbraw/zinc/48/73/69/212487369.db2.gz MXOMMQRTMFMCHK-AWEZNQCLSA-N 0 0 326.749 5.243 50 0 EKAARN CC(C)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577472 202133795 /nfs/dbraw/zinc/13/37/95/202133795.db2.gz UEYKVUJCRXXRHA-GGAORHGYSA-N 0 0 342.442 5.365 50 0 EKAARN CC(C)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000025577477 564087963 /nfs/dbraw/zinc/08/79/63/564087963.db2.gz UEYKVUJCRXXRHA-FYYLOGMGSA-N 0 0 342.442 5.365 50 0 EKAARN CC(C)C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025582772 202133223 /nfs/dbraw/zinc/13/32/23/202133223.db2.gz LCHSWDMQWYVJNC-QAPCUYQASA-N 0 0 346.883 5.317 50 0 EKAARN CC(C)C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025582778 563886103 /nfs/dbraw/zinc/88/61/03/563886103.db2.gz LCHSWDMQWYVJNC-CRAIPNDOSA-N 0 0 346.883 5.317 50 0 EKAARN Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583290 563886036 /nfs/dbraw/zinc/88/60/36/563886036.db2.gz KPKCPYKHROLIPA-UNMCSNQZSA-N 0 0 344.389 5.068 50 0 EKAARN Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583296 563886429 /nfs/dbraw/zinc/88/64/29/563886429.db2.gz KPKCPYKHROLIPA-IRLDBZIGSA-N 0 0 344.389 5.068 50 0 EKAARN Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21 ZINC000025586481 202133269 /nfs/dbraw/zinc/13/32/69/202133269.db2.gz RZMSEVAAEBXXHE-AEGADVIYSA-N 0 0 344.845 5.267 50 0 EKAARN Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N21 ZINC000025586489 563886401 /nfs/dbraw/zinc/88/64/01/563886401.db2.gz RZMSEVAAEBXXHE-YKSPXJAFSA-N 0 0 344.845 5.267 50 0 EKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000025615979 563886662 /nfs/dbraw/zinc/88/66/62/563886662.db2.gz YNIOYXCCHQPBSZ-CQSZACIVSA-N 0 0 338.838 5.030 50 0 EKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000025615984 212490897 /nfs/dbraw/zinc/49/08/97/212490897.db2.gz YNIOYXCCHQPBSZ-AWEZNQCLSA-N 0 0 338.838 5.030 50 0 EKAARN Cc1ccc(OCc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)o2)cc1 ZINC000025617408 563886615 /nfs/dbraw/zinc/88/66/15/563886615.db2.gz QDYQRGPUBWPBKC-QGZVFWFLSA-N 0 0 349.430 5.000 50 0 EKAARN Cc1ccc(OCc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)o2)cc1 ZINC000025617412 563886779 /nfs/dbraw/zinc/88/67/79/563886779.db2.gz QDYQRGPUBWPBKC-KRWDZBQOSA-N 0 0 349.430 5.000 50 0 EKAARN COc1cccc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)c1OC ZINC000025667049 563887031 /nfs/dbraw/zinc/88/70/31/563887031.db2.gz FNPIPXYDJPDVRX-UHFFFAOYSA-N 0 0 345.851 5.456 50 0 EKAARN COc1cccc(-c2nc(-c3cc(C)ccc3C)c(C)s2)c1OC ZINC000025667088 563887053 /nfs/dbraw/zinc/88/70/53/563887053.db2.gz UOYGRVQSUMSRPB-UHFFFAOYSA-N 0 0 339.460 5.420 50 0 EKAARN Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(C)o1 ZINC000025714020 564062889 /nfs/dbraw/zinc/06/28/89/564062889.db2.gz ZHAWLHHYGPKBDY-UHFFFAOYSA-N 0 0 348.427 5.425 50 0 EKAARN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC ZINC000025722131 202135861 /nfs/dbraw/zinc/13/58/61/202135861.db2.gz PTFHIRHGARALFY-JEBPEJKESA-N 0 0 344.539 6.861 50 0 in-vitro EKAARN CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)OC ZINC000025722242 563887654 /nfs/dbraw/zinc/88/76/54/563887654.db2.gz WTKAVFHPLJFCMZ-NIBLXIPLSA-N 0 0 332.484 5.292 50 0 in-vitro EKAARN CCc1cccc(C)c1NCC(=O)Nc1ccccc1-c1ccccc1 ZINC000025735643 563887692 /nfs/dbraw/zinc/88/76/92/563887692.db2.gz AWDBJPVOECVAGF-UHFFFAOYSA-N 0 0 344.458 5.275 50 0 EKAARN CCCC[C@H](CC)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000025756953 563888071 /nfs/dbraw/zinc/88/80/71/563888071.db2.gz CEEDFYRUPAWDOU-OLZOCXBDSA-N 0 0 347.282 5.520 50 0 EKAARN CCCC[C@@H](CC)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000025756957 563888067 /nfs/dbraw/zinc/88/80/67/563888067.db2.gz CEEDFYRUPAWDOU-QWHCGFSZSA-N 0 0 347.282 5.520 50 0 EKAARN CCCC[C@H](CC)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000025756960 202135703 /nfs/dbraw/zinc/13/57/03/202135703.db2.gz CEEDFYRUPAWDOU-STQMWFEESA-N 0 0 347.282 5.520 50 0 EKAARN c1ccc(P(C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1 ZINC000025757743 202135280 /nfs/dbraw/zinc/13/52/80/202135280.db2.gz DIFRDTMQEINUSG-UHFFFAOYSA-N 0 0 346.451 5.505 50 0 EKAARN CCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025759666 563888032 /nfs/dbraw/zinc/88/80/32/563888032.db2.gz HZISAOWMFZTPIE-UYAOXDASSA-N 0 0 340.854 5.400 50 0 EKAARN CCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000025759670 212496715 /nfs/dbraw/zinc/49/67/15/212496715.db2.gz HZISAOWMFZTPIE-QUCCMNQESA-N 0 0 340.854 5.400 50 0 EKAARN C[C@H](O)CCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc21 ZINC000025761990 202135668 /nfs/dbraw/zinc/13/56/68/202135668.db2.gz SBKRHUPINGVXMB-JTQLQIEISA-N 0 0 336.218 5.115 50 0 EKAARN Cc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025763298 563888324 /nfs/dbraw/zinc/88/83/24/563888324.db2.gz YRVQDSOXFILBJR-GGAORHGYSA-N 0 0 340.426 5.237 50 0 EKAARN Cc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025763303 563888292 /nfs/dbraw/zinc/88/82/92/563888292.db2.gz YRVQDSOXFILBJR-FYYLOGMGSA-N 0 0 340.426 5.237 50 0 EKAARN CN1CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 ZINC000025777360 563888593 /nfs/dbraw/zinc/88/85/93/563888593.db2.gz KAHPXJATFMUEEE-UHFFFAOYSA-N 0 0 343.257 5.197 50 0 EKAARN CCCOP(=O)(OCCC)[C@@H](Nc1ccccn1)c1ccccc1 ZINC000025784300 564063173 /nfs/dbraw/zinc/06/31/73/564063173.db2.gz CEHVAWUMBYIHBX-GOSISDBHSA-N 0 0 348.383 5.239 50 0 EKAARN CCCOP(=O)(OCCC)[C@H](Nc1ccccn1)c1ccccc1 ZINC000025784302 564063176 /nfs/dbraw/zinc/06/31/76/564063176.db2.gz CEHVAWUMBYIHBX-SFHVURJKSA-N 0 0 348.383 5.239 50 0 EKAARN CCNc1nnc(SCc2sc3ccccc3c2Cl)s1 ZINC000025817187 563888607 /nfs/dbraw/zinc/88/86/07/563888607.db2.gz IABAURMMRMTXCY-UHFFFAOYSA-N 0 0 341.914 5.130 50 0 EKAARN CCc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)s1 ZINC000025862730 563888887 /nfs/dbraw/zinc/88/88/87/563888887.db2.gz RWWXAZYUZSFPKO-UHFFFAOYSA-N 0 0 331.462 5.118 50 0 EKAARN Cc1ccc(-c2nc(CSc3nccn3-c3ccccc3)co2)cc1 ZINC000025972768 563889618 /nfs/dbraw/zinc/88/96/18/563889618.db2.gz OCUSBTVFFKKBKH-UHFFFAOYSA-N 0 0 347.443 5.128 50 0 EKAARN Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1Cl ZINC000026037292 563889541 /nfs/dbraw/zinc/88/95/41/563889541.db2.gz QDZCVTFUAYENRR-UHFFFAOYSA-N 0 0 348.880 5.010 50 0 EKAARN O=C(CSc1nc(-c2ccccc2)cs1)c1cc(F)ccc1F ZINC000026040094 563889876 /nfs/dbraw/zinc/88/98/76/563889876.db2.gz OWNKMPOKRXYRQA-UHFFFAOYSA-N 0 0 347.411 5.063 50 0 EKAARN Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)s1 ZINC000026040220 212505756 /nfs/dbraw/zinc/50/57/56/212505756.db2.gz PGHVCXFJSKFIAC-UHFFFAOYSA-N 0 0 331.487 5.155 50 0 EKAARN C[C@@H](Sc1ccc(F)c(Cl)c1)c1nc(-c2cccs2)no1 ZINC000026050932 212505129 /nfs/dbraw/zinc/50/51/29/212505129.db2.gz UVSOJYGEKLVKLA-MRVPVSSYSA-N 0 0 340.832 5.444 50 0 EKAARN C[C@H](Sc1ccc(F)c(Cl)c1)c1nc(-c2cccs2)no1 ZINC000026050937 564074223 /nfs/dbraw/zinc/07/42/23/564074223.db2.gz UVSOJYGEKLVKLA-QMMMGPOBSA-N 0 0 340.832 5.444 50 0 EKAARN CC[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000026124119 202138713 /nfs/dbraw/zinc/13/87/13/202138713.db2.gz MEENGJDALJJPQM-OAHLLOKOSA-N 0 0 341.760 5.240 50 0 EKAARN CC[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000026124125 563889805 /nfs/dbraw/zinc/88/98/05/563889805.db2.gz MEENGJDALJJPQM-HNNXBMFYSA-N 0 0 341.760 5.240 50 0 EKAARN O=C(CCc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000026147065 564079265 /nfs/dbraw/zinc/07/92/65/564079265.db2.gz RLFSGRJJFAXUTK-UHFFFAOYSA-N 0 0 348.427 5.128 50 0 EKAARN Cc1ccc(-c2c[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000026423038 563891941 /nfs/dbraw/zinc/89/19/41/563891941.db2.gz KEGLINMXILYAHI-UHFFFAOYSA-N 0 0 334.366 5.529 50 0 EKAARN Cc1ccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000026423041 202144309 /nfs/dbraw/zinc/14/43/09/202144309.db2.gz SXIGDGPFEPNDIT-UHFFFAOYSA-N 0 0 332.375 5.112 50 0 EKAARN S=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000026423082 212519743 /nfs/dbraw/zinc/51/97/43/212519743.db2.gz QCYJVHNPNNEWBH-UHFFFAOYSA-N 0 0 345.265 5.023 50 0 EKAARN Cc1ccc(-n2c(=S)[nH]cc2-c2ccc(Br)cc2)cc1 ZINC000026423089 202143502 /nfs/dbraw/zinc/14/35/02/202143502.db2.gz ZJJPMOOUIRPYBH-UHFFFAOYSA-N 0 0 345.265 5.273 50 0 EKAARN Fc1ccc(-n2c(=S)[nH]cc2-c2ccc(Br)cc2)cc1 ZINC000026423105 212519912 /nfs/dbraw/zinc/51/99/12/212519912.db2.gz ISDYQDOOXZVZBL-UHFFFAOYSA-N 0 0 349.228 5.103 50 0 EKAARN Cc1ccccc1-n1c(=S)[nH]cc1-c1ccc(Br)cc1 ZINC000026423118 563891871 /nfs/dbraw/zinc/89/18/71/563891871.db2.gz WLTZLNJJRGKCII-UHFFFAOYSA-N 0 0 345.265 5.273 50 0 EKAARN FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)c[nH]c2=S)cc1 ZINC000026424329 564082178 /nfs/dbraw/zinc/08/21/78/564082178.db2.gz PCLAMISGDAOMDI-UHFFFAOYSA-N 0 0 336.338 5.100 50 0 EKAARN S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 ZINC000026424380 564082168 /nfs/dbraw/zinc/08/21/68/564082168.db2.gz PMGWMHHXUXYCPU-UHFFFAOYSA-N 0 0 335.259 5.568 50 0 EKAARN Cc1ccc(-n2c(=S)[nH]cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000026424385 564082155 /nfs/dbraw/zinc/08/21/55/564082155.db2.gz BIDVNMJHXQKYNI-UHFFFAOYSA-N 0 0 335.259 5.817 50 0 EKAARN Cc1cccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)c1 ZINC000026456396 563891886 /nfs/dbraw/zinc/89/18/86/563891886.db2.gz GPVRTHHANHIEKD-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN O=C(Nc1ccc(F)cc1F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000026456926 564082224 /nfs/dbraw/zinc/08/22/24/564082224.db2.gz SBAADPGUCLXGPH-UHFFFAOYSA-N 0 0 335.781 5.069 50 0 EKAARN Brc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000026522348 563892215 /nfs/dbraw/zinc/89/22/15/563892215.db2.gz IOAHVBDYCWBWAR-UHFFFAOYSA-N 0 0 339.232 5.695 50 0 EKAARN Fc1ccc(Cn2c3ccccc3nc2CCc2ccccc2)cc1 ZINC000026533461 563892123 /nfs/dbraw/zinc/89/21/23/563892123.db2.gz FCQFVJNRBPLQHB-UHFFFAOYSA-N 0 0 330.406 5.009 50 0 EKAARN COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000026544021 212525256 /nfs/dbraw/zinc/52/52/56/212525256.db2.gz WRGVQDJLLLWQTJ-UHFFFAOYSA-N 0 0 348.242 5.178 50 0 EKAARN COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000026544025 563892192 /nfs/dbraw/zinc/89/21/92/563892192.db2.gz XPHHAVUMHZURBG-UHFFFAOYSA-N 0 0 348.242 5.178 50 0 EKAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CS5)CC[C@@]43C)[C@H]1CC[C@]21CS1 ZINC000026570728 564084045 /nfs/dbraw/zinc/08/40/45/564084045.db2.gz GIBFGVLFEQJQJA-FFWOKMQNSA-N 0 0 348.621 6.000 50 0 EKAARN CC(C)(C)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000026571142 563892444 /nfs/dbraw/zinc/89/24/44/563892444.db2.gz XSUPOBQIDSFNOO-UHFFFAOYSA-N 0 0 345.442 6.321 50 0 EKAARN CC(C)(C)c1ccc2c(Cl)c(C(=O)NC3CCCCC3)sc2c1 ZINC000026688034 563892733 /nfs/dbraw/zinc/89/27/33/563892733.db2.gz XNDHEYAAQGTTGJ-UHFFFAOYSA-N 0 0 349.927 5.915 50 0 EKAARN CC(C)(C)c1ccc2c(Cl)c(C(=O)NCc3ccco3)sc2c1 ZINC000026688074 563892789 /nfs/dbraw/zinc/89/27/89/563892789.db2.gz KMUYZUWGFDSGML-UHFFFAOYSA-N 0 0 347.867 5.375 50 0 EKAARN COCc1ccccc1CNc1cc(C(F)(F)F)nc2ccccc21 ZINC000026718949 563892752 /nfs/dbraw/zinc/89/27/52/563892752.db2.gz RJZLKUWDBSPGRE-UHFFFAOYSA-N 0 0 346.352 5.012 50 0 EKAARN Cc1nc(/C=C/C(=O)N(Cc2ccccc2)c2cccc(C)c2)cs1 ZINC000026904515 563893910 /nfs/dbraw/zinc/89/39/10/563893910.db2.gz HYCFIZDROIICKO-VAWYXSNFSA-N 0 0 348.471 5.007 50 0 EKAARN Cc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000027015833 202151641 /nfs/dbraw/zinc/15/16/41/202151641.db2.gz AUWNPFMEDZFXSK-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1ccc(-c2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000027023331 564093064 /nfs/dbraw/zinc/09/30/64/564093064.db2.gz FPQMIGOTCMPWMK-UHFFFAOYSA-N 0 0 326.808 5.580 50 0 EKAARN Clc1c2ccccc2sc1-c1nnc(-c2ccccc2Cl)o1 ZINC000027023418 564093075 /nfs/dbraw/zinc/09/30/75/564093075.db2.gz NWFCQBMIVSSQHP-UHFFFAOYSA-N 0 0 347.226 5.925 50 0 EKAARN CC(C)(C)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000027024915 564093057 /nfs/dbraw/zinc/09/30/57/564093057.db2.gz JGFJKDZBKZSOEM-UHFFFAOYSA-N 0 0 336.671 5.390 50 0 EKAARN CC(C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000027466439 564125315 /nfs/dbraw/zinc/12/53/15/564125315.db2.gz JLBHTGXFDNZNJL-KPQYALRZSA-N 0 0 336.475 5.274 50 0 EKAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027467803 564125347 /nfs/dbraw/zinc/12/53/47/564125347.db2.gz JLGBVTAIQQGBSQ-FFSVYQOJSA-N 0 0 329.267 5.611 50 0 EKAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027467811 564125341 /nfs/dbraw/zinc/12/53/41/564125341.db2.gz JLGBVTAIQQGBSQ-KFNAQCHYSA-N 0 0 329.267 5.611 50 0 EKAARN Cc1cccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000027529293 564130653 /nfs/dbraw/zinc/13/06/53/564130653.db2.gz DNYZTMRSQJEPMK-UHFFFAOYSA-N 0 0 342.467 6.529 50 0 EKAARN Cc1cccc(-c2nc3ccccc3c(N[C@@H]3CCC[C@@H](C)[C@H]3C)n2)c1 ZINC000027534395 202156386 /nfs/dbraw/zinc/15/63/86/202156386.db2.gz ZIRNQNBGCPULEO-MBOZVWFJSA-N 0 0 345.490 5.842 50 0 EKAARN Cc1cccc(-c2nc3ccccc3c(N[C@@H]3CCC[C@H](C)[C@H]3C)n2)c1 ZINC000027534397 564131401 /nfs/dbraw/zinc/13/14/01/564131401.db2.gz ZIRNQNBGCPULEO-SQGPQFPESA-N 0 0 345.490 5.842 50 0 EKAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000027545209 563896630 /nfs/dbraw/zinc/89/66/30/563896630.db2.gz MSIHPDYMDNEZCG-UHFFFAOYSA-N 0 0 345.398 5.177 50 0 EKAARN O=C(c1cc(-c2ccccc2)on1)N(c1ccccc1)c1ccccc1 ZINC000027581195 202157898 /nfs/dbraw/zinc/15/78/98/202157898.db2.gz HZFFGAQSRPWEDO-UHFFFAOYSA-N 0 0 340.382 5.320 50 0 EKAARN Cc1ccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)cc1 ZINC000027582632 212567723 /nfs/dbraw/zinc/56/77/23/212567723.db2.gz BFCAQYDDUQAGSA-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1C ZINC000027583533 212568250 /nfs/dbraw/zinc/56/82/50/212568250.db2.gz XDXIOXVSEOWENE-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1C ZINC000027583568 563897169 /nfs/dbraw/zinc/89/71/69/563897169.db2.gz HNRLTTGTGVRBSD-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1C ZINC000027583607 563897120 /nfs/dbraw/zinc/89/71/20/563897120.db2.gz SMMQJPYVIOCWAY-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 ZINC000027584517 563897369 /nfs/dbraw/zinc/89/73/69/563897369.db2.gz SSXREXXJPPHHLB-UHFFFAOYSA-N 0 0 325.408 5.043 50 0 EKAARN Cc1ccccc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC000027584528 212567713 /nfs/dbraw/zinc/56/77/13/212567713.db2.gz GCENVYNCXPZTMI-UHFFFAOYSA-N 0 0 325.408 5.043 50 0 EKAARN Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 ZINC000027584533 202157922 /nfs/dbraw/zinc/15/79/22/202157922.db2.gz ADDFTGBSXPAORJ-UHFFFAOYSA-N 0 0 325.408 5.043 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1 ZINC000027584545 202158014 /nfs/dbraw/zinc/15/80/14/202158014.db2.gz GBEBLNVLBWGRSV-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN CCCc1cc(Nc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000027584899 563897409 /nfs/dbraw/zinc/89/74/09/563897409.db2.gz ILSHSXWNUMMBFJ-UHFFFAOYSA-N 0 0 342.446 5.401 50 0 EKAARN Cc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000027584926 212567700 /nfs/dbraw/zinc/56/77/00/212567700.db2.gz XZSMEQLBNNALRS-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN CCCc1cc(Nc2ccc(C)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000027585120 563897399 /nfs/dbraw/zinc/89/73/99/563897399.db2.gz ULLQZOZPZRUAHD-UHFFFAOYSA-N 0 0 342.446 5.401 50 0 EKAARN CCCc1cc(Nc2cccc(C)c2)n2ncc(-c3ccccc3)c2n1 ZINC000027585130 563897361 /nfs/dbraw/zinc/89/73/61/563897361.db2.gz BNPFLZWONGEVTP-UHFFFAOYSA-N 0 0 342.446 5.401 50 0 EKAARN CCCc1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585139 202157587 /nfs/dbraw/zinc/15/75/87/202157587.db2.gz BIWKVRKBDNJUEE-UHFFFAOYSA-N 0 0 334.467 5.093 50 0 EKAARN CCCc1cc(Nc2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1 ZINC000027585147 212567794 /nfs/dbraw/zinc/56/77/94/212567794.db2.gz DLJVAYQDPHPUPO-UHFFFAOYSA-N 0 0 346.409 5.232 50 0 EKAARN Cc1ccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000027585238 563897433 /nfs/dbraw/zinc/89/74/33/563897433.db2.gz YNCIJEIPLWGLGG-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN Cc1cccc(Nc2cc(C(C)C)nc3c(-c4ccccc4)cnn32)c1 ZINC000027585241 202157212 /nfs/dbraw/zinc/15/72/12/202157212.db2.gz REHJEIRPKJPEBM-UHFFFAOYSA-N 0 0 342.446 5.572 50 0 EKAARN CC(C)c1cc(NC2CCCCC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585252 202157821 /nfs/dbraw/zinc/15/78/21/202157821.db2.gz SPHDSILPRNSFKH-UHFFFAOYSA-N 0 0 334.467 5.264 50 0 EKAARN CCCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000027585960 202157204 /nfs/dbraw/zinc/15/72/04/202157204.db2.gz MBNPDUQMDRTFJY-UHFFFAOYSA-N 0 0 342.446 5.275 50 0 EKAARN CC(C)CNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000027586085 563897387 /nfs/dbraw/zinc/89/73/87/563897387.db2.gz JCJCKCUKHXOJDE-UHFFFAOYSA-N 0 0 342.446 5.131 50 0 EKAARN Cc1nn2c(nc(C(C)(C)C)cc2Cl)c1-c1ccccc1Cl ZINC000027586316 563897629 /nfs/dbraw/zinc/89/76/29/563897629.db2.gz INFICUSPGSQVDP-UHFFFAOYSA-N 0 0 334.250 5.309 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC ZINC000027644512 564133613 /nfs/dbraw/zinc/13/36/13/564133613.db2.gz XJXHWCQMUAZGAN-ORZIMQNZSA-N 0 0 334.544 6.919 50 0 in-vitro EKAARN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC ZINC000027645212 564087316 /nfs/dbraw/zinc/08/73/16/564087316.db2.gz VCDLWFYODNTQOT-JDPCYWKWSA-N 0 0 342.523 6.637 50 0 in-vitro EKAARN CCCCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCC(=O)OC ZINC000027645217 212570967 /nfs/dbraw/zinc/57/09/67/212570967.db2.gz JXKCBSKPWHNCFL-MUDRAGMJSA-N 0 0 346.555 7.085 50 0 in-vitro EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C ZINC000027645441 202159280 /nfs/dbraw/zinc/15/92/80/202159280.db2.gz FCHAVFLICKAOOF-GKFVBPDJSA-N 0 0 331.544 6.220 50 0 in-vitro EKAARN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC ZINC000027646470 564133623 /nfs/dbraw/zinc/13/36/23/564133623.db2.gz LKBDTOYINRNCSY-AFSLFLIVSA-N 0 0 332.528 6.695 50 0 in-vitro EKAARN c1csc(-c2cc(CSc3nc(-c4ccccc4)c[nH]3)no2)c1 ZINC000027660493 563898127 /nfs/dbraw/zinc/89/81/27/563898127.db2.gz YQLDTAXMOOGAJG-UHFFFAOYSA-N 0 0 339.445 5.086 50 0 EKAARN O=C(c1ccccc1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662316 563898130 /nfs/dbraw/zinc/89/81/30/563898130.db2.gz DUYATRCOTDSXBM-UHFFFAOYSA-N 0 0 338.410 5.082 50 0 EKAARN CC(C)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 ZINC000027662651 202159309 /nfs/dbraw/zinc/15/93/09/202159309.db2.gz HAIKKJDFHQVLQL-UHFFFAOYSA-N 0 0 336.460 5.114 50 0 EKAARN CC(C)c1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 ZINC000027662684 212571744 /nfs/dbraw/zinc/57/17/44/212571744.db2.gz XZQHPMTYHVKQMD-UHFFFAOYSA-N 0 0 330.431 5.052 50 0 EKAARN CC(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000027662696 202158932 /nfs/dbraw/zinc/15/89/32/202158932.db2.gz FQUCIZPDSXAGNG-UHFFFAOYSA-N 0 0 348.421 5.191 50 0 EKAARN O=C(c1ccccc1)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000027662780 563898355 /nfs/dbraw/zinc/89/83/55/563898355.db2.gz GPHRRNHIGAXMCP-UHFFFAOYSA-N 0 0 327.836 5.249 50 0 EKAARN O=C(c1cccs1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027662925 563898376 /nfs/dbraw/zinc/89/83/76/563898376.db2.gz JTEQBTGNTPHUHE-UHFFFAOYSA-N 0 0 344.439 5.143 50 0 EKAARN O=C(c1cccs1)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000027663444 563898359 /nfs/dbraw/zinc/89/83/59/563898359.db2.gz JSFAISZBSWULLL-UHFFFAOYSA-N 0 0 333.865 5.310 50 0 EKAARN Cc1ccccc1C(=O)N(Cc1cccs1)c1cccc(Cl)c1 ZINC000027663450 563898353 /nfs/dbraw/zinc/89/83/53/563898353.db2.gz LLPVILNHFSVDGH-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 ZINC000027663455 202158698 /nfs/dbraw/zinc/15/86/98/202158698.db2.gz XGPLFAIHDHCNEK-UHFFFAOYSA-N 0 0 344.458 5.360 50 0 EKAARN Cc1ccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc1 ZINC000027663619 212572593 /nfs/dbraw/zinc/57/25/93/212572593.db2.gz ZKXFNVMUVWZGBU-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN Cc1cccc(C(=O)N(Cc2cccs2)c2cccc(Cl)c2)c1 ZINC000027663938 563898556 /nfs/dbraw/zinc/89/85/56/563898556.db2.gz SMSUPFGUTKQFAZ-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN O=C(c1cccs1)N(Cc1cccs1)c1ccccc1Cl ZINC000027664008 202158655 /nfs/dbraw/zinc/15/86/55/202158655.db2.gz KEJNULSRIJRFBB-UHFFFAOYSA-N 0 0 333.865 5.310 50 0 EKAARN Cc1cccc(C(=O)N(Cc2cccs2)c2ccccc2Cl)c1 ZINC000027664009 563898518 /nfs/dbraw/zinc/89/85/18/563898518.db2.gz XGLTVJWEFGXYHI-UHFFFAOYSA-N 0 0 341.863 5.557 50 0 EKAARN O=C(c1ccccc1)N(Cc1cccs1)c1ccccc1Cl ZINC000027664012 212572590 /nfs/dbraw/zinc/57/25/90/212572590.db2.gz ITHJCRSYYCNHBD-UHFFFAOYSA-N 0 0 327.836 5.249 50 0 EKAARN CCOc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 ZINC000027664108 563898562 /nfs/dbraw/zinc/89/85/62/563898562.db2.gz JIOZFHRLSWODFB-UHFFFAOYSA-N 0 0 343.473 5.055 50 0 EKAARN CC(C)c1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 ZINC000027664451 202159636 /nfs/dbraw/zinc/15/96/36/202159636.db2.gz SWIAEPLNTNCFRF-UHFFFAOYSA-N 0 0 348.421 5.191 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1Cl ZINC000027739867 563899037 /nfs/dbraw/zinc/89/90/37/563899037.db2.gz PQMGRTCUAWWKEZ-UHFFFAOYSA-N 0 0 347.892 5.618 50 0 EKAARN Cc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)c1 ZINC000027739876 563899069 /nfs/dbraw/zinc/89/90/69/563899069.db2.gz HWODJEKFNOADDP-UHFFFAOYSA-N 0 0 344.458 5.360 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1C ZINC000027739892 563899090 /nfs/dbraw/zinc/89/90/90/563899090.db2.gz VHDGDNWMNDAOLW-UHFFFAOYSA-N 0 0 327.474 5.273 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1C ZINC000027739926 212575197 /nfs/dbraw/zinc/57/51/97/212575197.db2.gz DLCZECZYFOHQKI-UHFFFAOYSA-N 0 0 335.472 5.520 50 0 EKAARN Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)c1 ZINC000027739933 563899041 /nfs/dbraw/zinc/89/90/41/563899041.db2.gz DOMSDYBOCWRSRB-UHFFFAOYSA-N 0 0 335.472 5.520 50 0 EKAARN Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)c(C)c2)cc1 ZINC000027740296 563899065 /nfs/dbraw/zinc/89/90/65/563899065.db2.gz MGVQCFZOZQJVSI-UHFFFAOYSA-N 0 0 335.472 5.520 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1C ZINC000027740388 563899339 /nfs/dbraw/zinc/89/93/39/563899339.db2.gz JGDHTIOVJVMYPL-UHFFFAOYSA-N 0 0 339.435 5.351 50 0 EKAARN Cc1c2ccccc2oc1C(=O)N(Cc1cccs1)c1ccccn1 ZINC000027742750 563899368 /nfs/dbraw/zinc/89/93/68/563899368.db2.gz CFROBVPIFNIWOO-UHFFFAOYSA-N 0 0 348.427 5.045 50 0 EKAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccccc3c2C)o1 ZINC000027748924 563899376 /nfs/dbraw/zinc/89/93/76/563899376.db2.gz AIYJTJSSJOIUOS-UHFFFAOYSA-N 0 0 349.386 5.078 50 0 EKAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1c(F)cccc1Cl ZINC000027768854 564134482 /nfs/dbraw/zinc/13/44/82/564134482.db2.gz XKFLRQQCRCMGQP-UHFFFAOYSA-N 0 0 337.781 5.303 50 0 EKAARN Cc1ccc(-c2csc(S[C@H](C)c3nc(C(C)C)no3)n2)cc1 ZINC000027774213 564134479 /nfs/dbraw/zinc/13/44/79/564134479.db2.gz BMEAYOKDQDRPDV-GFCCVEGCSA-N 0 0 345.493 5.478 50 0 EKAARN Cc1ccc(-c2csc(S[C@@H](C)c3nc(C(C)C)no3)n2)cc1 ZINC000027774220 212578278 /nfs/dbraw/zinc/57/82/78/212578278.db2.gz BMEAYOKDQDRPDV-LBPRGKRZSA-N 0 0 345.493 5.478 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1 ZINC000027792852 563899460 /nfs/dbraw/zinc/89/94/60/563899460.db2.gz CCRVVQSNPUWAJU-UHFFFAOYSA-N 0 0 335.472 5.466 50 0 EKAARN Cc1nc(-c2ccc(C)cc2)c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000027793409 563899541 /nfs/dbraw/zinc/89/95/41/563899541.db2.gz GNBQKLSMINFXQH-UHFFFAOYSA-N 0 0 342.851 5.333 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 ZINC000027793693 563899536 /nfs/dbraw/zinc/89/95/36/563899536.db2.gz PCXWYVMGTNBKBZ-UHFFFAOYSA-N 0 0 339.435 5.297 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 ZINC000027793698 202160640 /nfs/dbraw/zinc/16/06/40/202160640.db2.gz CMYYNSCTUQMBHX-UHFFFAOYSA-N 0 0 327.474 5.219 50 0 EKAARN O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1ccc(Cl)cc1 ZINC000027794157 202161019 /nfs/dbraw/zinc/16/10/19/202161019.db2.gz RXVRVUADPRRHGW-UHFFFAOYSA-N 0 0 347.801 6.006 50 0 EKAARN Cc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000027794455 563899681 /nfs/dbraw/zinc/89/96/81/563899681.db2.gz IXKCZIOJUPYLOQ-UHFFFAOYSA-N 0 0 325.795 5.088 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1 ZINC000027794561 563899735 /nfs/dbraw/zinc/89/97/35/563899735.db2.gz QQIJZCMJMWEQDT-UHFFFAOYSA-N 0 0 335.472 5.466 50 0 EKAARN Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1C ZINC000027794580 212579289 /nfs/dbraw/zinc/57/92/89/212579289.db2.gz UOJFLGLEAJNVBU-UHFFFAOYSA-N 0 0 339.435 5.351 50 0 EKAARN CC(=O)Nc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027794667 202160028 /nfs/dbraw/zinc/16/00/28/202160028.db2.gz CUHRASCPQDKFIK-UHFFFAOYSA-N 0 0 328.824 5.089 50 0 EKAARN O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795250 563899715 /nfs/dbraw/zinc/89/97/15/563899715.db2.gz YBHHTMDQMHKLAM-UHFFFAOYSA-N 0 0 346.213 5.433 50 0 EKAARN O=C(c1cccc(Cl)c1)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795267 563899721 /nfs/dbraw/zinc/89/97/21/563899721.db2.gz RSGVKCAUOQOXSJ-UHFFFAOYSA-N 0 0 346.213 5.433 50 0 EKAARN Cc1cccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c1 ZINC000027795307 212578583 /nfs/dbraw/zinc/57/85/83/212578583.db2.gz JBPKXRUXKQJKQC-UHFFFAOYSA-N 0 0 325.795 5.088 50 0 EKAARN Cc1ccccc1C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795317 212579162 /nfs/dbraw/zinc/57/91/62/212579162.db2.gz QYNCQAXVTAXIOO-UHFFFAOYSA-N 0 0 325.795 5.088 50 0 EKAARN O=C(c1ccccc1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795471 202160871 /nfs/dbraw/zinc/16/08/71/202160871.db2.gz BZUHAUPFFWARDI-UHFFFAOYSA-N 0 0 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ZINC000028250086 563998168 /nfs/dbraw/zinc/99/81/68/563998168.db2.gz GNZBCHFNVXGJQX-UHFFFAOYSA-N 0 0 344.208 5.064 50 0 EKAARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1 ZINC000028250092 563998162 /nfs/dbraw/zinc/99/81/62/563998162.db2.gz XQCZVSWBAQMUCO-UHFFFAOYSA-N 0 0 344.208 5.064 50 0 EKAARN Cc1cc(F)ccc1NC(=O)c1ccc(CSc2ccccc2)o1 ZINC000028278381 202169619 /nfs/dbraw/zinc/16/96/19/202169619.db2.gz BZOOHOYOFKZJIY-UHFFFAOYSA-N 0 0 341.407 5.272 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)cc1 ZINC000028287153 212612940 /nfs/dbraw/zinc/61/29/40/212612940.db2.gz XBHBBZCOVHPBEE-UHFFFAOYSA-N 0 0 335.472 5.466 50 0 EKAARN CCc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 ZINC000028287770 202168976 /nfs/dbraw/zinc/16/89/76/202168976.db2.gz CVLFYHVRGUUEGT-UHFFFAOYSA-N 0 0 339.435 5.297 50 0 EKAARN CCOc1ccc(NC(=O)c2cccc3ccccc32)c2cccnc12 ZINC000028290796 563902212 /nfs/dbraw/zinc/90/22/12/563902212.db2.gz LAIYMDSZSJYJGD-UHFFFAOYSA-N 0 0 342.398 5.039 50 0 EKAARN CCCCC1CCC(C(=O)Nc2ccc(OC)c3ncccc23)CC1 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Clc1ccc(-c2ccc(/C=C/c3ccc4ccccc4n3)o2)cc1 ZINC000028294355 564150919 /nfs/dbraw/zinc/15/09/19/564150919.db2.gz WYFRSYBMCNANJH-VAWYXSNFSA-N 0 0 331.802 6.319 50 0 EKAARN Cc1cccc2c(Nc3ccc(C(=O)OCC(C)C)cc3)ccnc12 ZINC000028296491 564150940 /nfs/dbraw/zinc/15/09/40/564150940.db2.gz OPBFAWNHQDFDRO-UHFFFAOYSA-N 0 0 334.419 5.100 50 0 EKAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000028334330 202168837 /nfs/dbraw/zinc/16/88/37/202168837.db2.gz KNHTYNNJVVLFFG-UHFFFAOYSA-N 0 0 329.446 5.008 50 0 EKAARN Cc1ccsc1-c1nc(-c2cc(C)n(-c3ccon3)c2C)cs1 ZINC000028334440 563902525 /nfs/dbraw/zinc/90/25/25/563902525.db2.gz KRWKAKZLMCPRCH-UHFFFAOYSA-N 0 0 341.461 5.243 50 0 EKAARN Cc1ccsc1/C=C/C(=O)Nc1ccccc1SC(F)F ZINC000028334984 202169326 /nfs/dbraw/zinc/16/93/26/202169326.db2.gz ZJOGVSCWACCZMQ-VOTSOKGWSA-N 0 0 325.405 5.023 50 0 EKAARN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 ZINC000028352048 564150980 /nfs/dbraw/zinc/15/09/80/564150980.db2.gz UHHQZGDDYBDHMD-CVEARBPZSA-N 0 0 343.430 5.302 50 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O=C(Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2s1 ZINC000031083947 564158734 /nfs/dbraw/zinc/15/87/34/564158734.db2.gz BDFKISKAKGRXKJ-UHFFFAOYSA-N 0 0 337.322 5.052 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2cccnc12 ZINC000031091787 212723266 /nfs/dbraw/zinc/72/32/66/212723266.db2.gz ICXPLQCXBZWPJF-UHFFFAOYSA-N 0 0 331.202 5.102 50 0 EKAARN Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)c2cccnc12 ZINC000031092064 212723160 /nfs/dbraw/zinc/72/31/60/212723160.db2.gz MBKFPJUVXGGESS-UHFFFAOYSA-N 0 0 331.202 5.102 50 0 EKAARN O=C(/C=C/c1cccc2ccccc12)N(Cc1ccccc1)C1CC1 ZINC000031097874 564035843 /nfs/dbraw/zinc/03/58/43/564035843.db2.gz BABATZZSWAETTJ-DTQAZKPQSA-N 0 0 327.427 5.044 50 0 EKAARN CCCC/C=C\CCCCCCCc1cc(=O)c2ccccc2n1C ZINC000031168223 563912161 /nfs/dbraw/zinc/91/21/61/563912161.db2.gz HWFYWIVOYBPLQU-SREVYHEPSA-N 0 0 339.523 6.168 50 0 biogenic,in-vitro EKAARN CCCC[C@@H](CC)COC(=O)/C=C\C(=O)OC[C@@H](CC)CCCC ZINC000031357020 563912660 /nfs/dbraw/zinc/91/26/60/563912660.db2.gz ROPXFXOUUANXRR-APTSNVDJSA-N 0 0 340.504 5.062 50 0 EKAARN CCCC[C@H](CC)COC(=O)/C=C\C(=O)OC[C@@H](CC)CCCC ZINC000031357023 563912675 /nfs/dbraw/zinc/91/26/75/563912675.db2.gz ROPXFXOUUANXRR-QUQQQVAWSA-N 0 0 340.504 5.062 50 0 EKAARN C[C@@H](NC(=O)c1occc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000031405070 202205951 /nfs/dbraw/zinc/20/59/51/202205951.db2.gz GGWSCIKMNOISDP-MRXNPFEDSA-N 0 0 341.410 5.591 50 0 EKAARN C[C@H](NC(=O)c1occc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000031405074 564159368 /nfs/dbraw/zinc/15/93/68/564159368.db2.gz GGWSCIKMNOISDP-INIZCTEOSA-N 0 0 341.410 5.591 50 0 EKAARN Cc1noc(C)c1CSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000031423935 564159399 /nfs/dbraw/zinc/15/93/99/564159399.db2.gz HOHQLDAQOVBWPK-UHFFFAOYSA-N 0 0 334.828 5.033 50 0 EKAARN CN(C(=S)Oc1ccc2ccccc2c1)c1cccc2ccccc21 ZINC000031484163 563912794 /nfs/dbraw/zinc/91/27/94/563912794.db2.gz ULKCSVORYFKCRE-UHFFFAOYSA-N 0 0 343.451 5.793 50 0 EKAARN Cc1nc(SCc2csc(C(C)C)n2)[nH]c1Cc1ccccc1 ZINC000031646649 564057867 /nfs/dbraw/zinc/05/78/67/564057867.db2.gz CTZJTQBLVLXTGY-UHFFFAOYSA-N 0 0 343.521 5.181 50 0 EKAARN CC(C)c1nc(COc2ccc(C(=O)c3ccccc3)cc2)cs1 ZINC000031647454 212740714 /nfs/dbraw/zinc/74/07/14/212740714.db2.gz QGTANEBMGWRGEY-UHFFFAOYSA-N 0 0 337.444 5.077 50 0 EKAARN Cc1sc2ncnc(SCc3csc(C(C)C)n3)c2c1C ZINC000031648952 564057881 /nfs/dbraw/zinc/05/78/81/564057881.db2.gz YNGVSNOVKXJZED-UHFFFAOYSA-N 0 0 335.523 5.180 50 0 EKAARN Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)c(C)s1 ZINC000031662774 212742052 /nfs/dbraw/zinc/74/20/52/212742052.db2.gz WWHIJTPNMAJRHA-TXEJJXNPSA-N 0 0 336.526 5.165 50 0 EKAARN Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)c(C)s1 ZINC000031662776 564159629 /nfs/dbraw/zinc/15/96/29/564159629.db2.gz WWHIJTPNMAJRHA-RYUDHWBXSA-N 0 0 336.526 5.165 50 0 EKAARN Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)c(C)s1 ZINC000031662778 212741791 /nfs/dbraw/zinc/74/17/91/212741791.db2.gz WWHIJTPNMAJRHA-VXGBXAGGSA-N 0 0 336.526 5.165 50 0 EKAARN C[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 ZINC000031782083 564159846 /nfs/dbraw/zinc/15/98/46/564159846.db2.gz ABDWUBFVJRKGFP-GFCCVEGCSA-N 0 0 340.473 5.026 50 0 EKAARN C[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 ZINC000031782085 212747853 /nfs/dbraw/zinc/74/78/53/212747853.db2.gz ABDWUBFVJRKGFP-LBPRGKRZSA-N 0 0 340.473 5.026 50 0 EKAARN O=C(CSc1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000031850694 564060979 /nfs/dbraw/zinc/06/09/79/564060979.db2.gz ONIJHABKZMJJOO-UHFFFAOYSA-N 0 0 333.456 5.012 50 0 EKAARN Cc1ccc(SCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000031852164 564160047 /nfs/dbraw/zinc/16/00/47/564160047.db2.gz GZZXEKLFODATFP-UHFFFAOYSA-N 0 0 347.483 5.321 50 0 EKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Cl)cc1C ZINC000031873102 564160143 /nfs/dbraw/zinc/16/01/43/564160143.db2.gz KPJFTGPRJGTTHV-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1C ZINC000031873146 564160126 /nfs/dbraw/zinc/16/01/26/564160126.db2.gz MORHISMIWCEBQX-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000031873463 564160136 /nfs/dbraw/zinc/16/01/36/564160136.db2.gz JHDXUWHRYNZOFX-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000031873569 212755435 /nfs/dbraw/zinc/75/54/35/212755435.db2.gz IEYPSEILPKTKHC-UHFFFAOYSA-N 0 0 338.382 5.165 50 0 EKAARN O=C(CCc1ccc(F)c(F)c1)Nc1ccccc1-c1cccs1 ZINC000031895970 564061501 /nfs/dbraw/zinc/06/15/01/564061501.db2.gz SLZQPKIGJRPTDI-UHFFFAOYSA-N 0 0 343.398 5.265 50 0 EKAARN C[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000031903421 564085783 /nfs/dbraw/zinc/08/57/83/564085783.db2.gz DEAZATVJUMCYBT-QGZVFWFLSA-N 0 0 344.483 5.938 50 0 EKAARN C[C@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 ZINC000031903422 212756631 /nfs/dbraw/zinc/75/66/31/212756631.db2.gz DEAZATVJUMCYBT-KRWDZBQOSA-N 0 0 344.483 5.938 50 0 EKAARN Clc1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000031943996 202214681 /nfs/dbraw/zinc/21/46/81/202214681.db2.gz NCAPWMYAMCGSQX-UHFFFAOYSA-N 0 0 327.598 5.102 50 0 EKAARN Cc1nc(NC(=O)c2c(F)cccc2Cl)sc1-c1ccccc1 ZINC000031968401 212775808 /nfs/dbraw/zinc/77/58/08/212775808.db2.gz YQLHZLRCGBTJMZ-UHFFFAOYSA-N 0 0 346.814 5.163 50 0 EKAARN Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1ccccc1 ZINC000031968410 564160326 /nfs/dbraw/zinc/16/03/26/564160326.db2.gz LJENJQNTCNTAHB-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN O=C(c1cccc2ccccc21)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032070144 202220804 /nfs/dbraw/zinc/22/08/04/202220804.db2.gz RRYDCRDUNZABCF-UHFFFAOYSA-N 0 0 340.426 5.126 50 0 EKAARN O=C(c1cccc2ccccc21)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000032094581 202221436 /nfs/dbraw/zinc/22/14/36/202221436.db2.gz BMNVKQYGFDEIKZ-UHFFFAOYSA-N 0 0 340.426 5.126 50 0 EKAARN O=C(c1ccc2ccccc2c1)N(Cc1cccc2[nH]ccc21)C1CC1 ZINC000032094932 212787030 /nfs/dbraw/zinc/78/70/30/212787030.db2.gz PTZXRXJCQRYGDZ-UHFFFAOYSA-N 0 0 340.426 5.126 50 0 EKAARN Brc1ccc(/C=C\c2ccc(Br)cc2)cc1 ZINC000032098760 202221128 /nfs/dbraw/zinc/22/11/28/202221128.db2.gz JEHMPNUQSJNJDL-UPHRSURJSA-N 0 0 338.042 5.382 50 0 EKAARN ClC1(Cl)N(c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000032105321 564031633 /nfs/dbraw/zinc/03/16/33/564031633.db2.gz PJLSVKXHGYJCKQ-UHFFFAOYSA-N 0 0 340.253 5.582 50 0 EKAARN O=C1c2ccccc2-c2ccccc2C12c1ccccc1-c1ccccc12 ZINC000032105390 564129161 /nfs/dbraw/zinc/12/91/61/564129161.db2.gz KCQBAOXSMSWQBJ-UHFFFAOYSA-N 0 0 344.413 5.865 50 0 EKAARN C[C@@H](C1C(C)(C)C1(C)C)N(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000032105414 564129148 /nfs/dbraw/zinc/12/91/48/564129148.db2.gz CIHXOXJLLSKOOT-HNNXBMFYSA-N 0 0 339.454 5.543 50 0 EKAARN C[C@H](C1C(C)(C)C1(C)C)N(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000032105416 564129136 /nfs/dbraw/zinc/12/91/36/564129136.db2.gz CIHXOXJLLSKOOT-OAHLLOKOSA-N 0 0 339.454 5.543 50 0 EKAARN CC(C)(C)[C@@H]1CCCC[C@H]1OC(=O)Nc1cccc2ccccc21 ZINC000032105919 563913498 /nfs/dbraw/zinc/91/34/98/563913498.db2.gz CEFCFCUKQMANIR-IEBWSBKVSA-N 0 0 325.452 5.993 50 0 EKAARN CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000032117618 564160828 /nfs/dbraw/zinc/16/08/28/564160828.db2.gz YQPFGSRWUXJPKO-JOCHJYFZSA-N 0 0 329.443 5.675 50 0 EKAARN CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000032117620 564160823 /nfs/dbraw/zinc/16/08/23/564160823.db2.gz YQPFGSRWUXJPKO-QFIPXVFZSA-N 0 0 329.443 5.675 50 0 EKAARN Cc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C ZINC000032119684 564063326 /nfs/dbraw/zinc/06/33/26/564063326.db2.gz UQHGAEVGRCJWKV-UHFFFAOYSA-N 0 0 341.454 5.560 50 0 EKAARN CCc1ccc(NCCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000032119689 564063333 /nfs/dbraw/zinc/06/33/33/564063333.db2.gz XHESZHCXDRLDSG-UHFFFAOYSA-N 0 0 341.454 5.505 50 0 EKAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccco2)cc1 ZINC000032201778 564065214 /nfs/dbraw/zinc/06/52/14/564065214.db2.gz SIJKXEUODPVLCX-YLJYHZDGSA-N 0 0 339.479 5.108 50 0 EKAARN CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccco2)cc1 ZINC000032201780 212792422 /nfs/dbraw/zinc/79/24/22/212792422.db2.gz SIJKXEUODPVLCX-XLIONFOSSA-N 0 0 339.479 5.108 50 0 EKAARN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccco2)cc1 ZINC000032201784 564065222 /nfs/dbraw/zinc/06/52/22/564065222.db2.gz SIJKXEUODPVLCX-FXAWDEMLSA-N 0 0 339.479 5.108 50 0 EKAARN CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2Cc2ccco2)cc1 ZINC000032201788 564065239 /nfs/dbraw/zinc/06/52/39/564065239.db2.gz SIJKXEUODPVLCX-PXNSSMCTSA-N 0 0 339.479 5.108 50 0 EKAARN CCCCc1ccc(C(=O)CCCCCCCCC(=O)OC)s1 ZINC000032222068 212793336 /nfs/dbraw/zinc/79/33/36/212793336.db2.gz OKYNQIZSYWZQKW-UHFFFAOYSA-N 0 0 338.513 5.567 50 0 EKAARN Cc1nc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2o1 ZINC000032451728 564161481 /nfs/dbraw/zinc/16/14/81/564161481.db2.gz UBTAICHQEXTFIX-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN COc1ccc(-c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000032592998 563662747 /nfs/dbraw/zinc/66/27/47/563662747.db2.gz HXJXSUKOOLLCJI-UHFFFAOYSA-N 0 0 337.806 5.268 50 0 EKAARN Clc1ccc2nccc(Nc3cccc(Br)c3)c2c1 ZINC000032605108 202228636 /nfs/dbraw/zinc/22/86/36/202228636.db2.gz URMXOPJBVWSLLM-UHFFFAOYSA-N 0 0 333.616 5.394 50 0 EKAARN C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000032611340 563665433 /nfs/dbraw/zinc/66/54/33/563665433.db2.gz LIDUQBVCMGNYNH-MRXNPFEDSA-N 0 0 349.430 5.026 50 0 EKAARN C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000032611341 563665300 /nfs/dbraw/zinc/66/53/00/563665300.db2.gz LIDUQBVCMGNYNH-INIZCTEOSA-N 0 0 349.430 5.026 50 0 EKAARN CCCCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000032611707 563665748 /nfs/dbraw/zinc/66/57/48/563665748.db2.gz GRXPNFNQOPCKGN-UHFFFAOYSA-N 0 0 347.462 5.084 50 0 EKAARN CC(C)(C)c1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000032616731 563666848 /nfs/dbraw/zinc/66/68/48/563666848.db2.gz CZGBCMBHPDLCKS-UHFFFAOYSA-N 0 0 340.264 5.962 50 0 EKAARN CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000032622529 563669407 /nfs/dbraw/zinc/66/94/07/563669407.db2.gz BHNQPXRWUMHVPF-UHFFFAOYSA-N 0 0 349.434 5.087 50 0 EKAARN CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032623039 563669785 /nfs/dbraw/zinc/66/97/85/563669785.db2.gz XTPZLGYDETUBEG-UHFFFAOYSA-N 0 0 349.434 5.087 50 0 EKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032624565 212819741 /nfs/dbraw/zinc/81/97/41/212819741.db2.gz AMOSTHNTRINJSS-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2c1 ZINC000032624566 563670074 /nfs/dbraw/zinc/67/00/74/563670074.db2.gz SEBPGNQVRYEFBS-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN O=c1cc(-c2cccc(F)c2)oc2cc(OCc3ccccc3)ccc12 ZINC000032634065 563670495 /nfs/dbraw/zinc/67/04/95/563670495.db2.gz HAMRGJJQCNTHPG-UHFFFAOYSA-N 0 0 346.357 5.178 50 0 EKAARN COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(C)C ZINC000032639084 564085842 /nfs/dbraw/zinc/08/58/42/564085842.db2.gz JDVZBRORJRZRKB-RMKNXTFCSA-N 0 0 347.458 5.757 50 0 EKAARN CN(Cc1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1 ZINC000032654955 563676840 /nfs/dbraw/zinc/67/68/40/563676840.db2.gz HYABJEUJSHILHR-UHFFFAOYSA-N 0 0 346.858 5.235 50 0 EKAARN Cc1ccc(Nc2nc(CN[C@H](C)c3ccccc3F)cs2)cc1 ZINC000032665019 563678280 /nfs/dbraw/zinc/67/82/80/563678280.db2.gz YFNITCKKWKBGHS-CQSZACIVSA-N 0 0 341.455 5.185 50 0 EKAARN Cc1ccc(Nc2nc(CN[C@@H](C)c3ccccc3F)cs2)cc1 ZINC000032665021 563678312 /nfs/dbraw/zinc/67/83/12/563678312.db2.gz YFNITCKKWKBGHS-AWEZNQCLSA-N 0 0 341.455 5.185 50 0 EKAARN CC(C)OCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000032674681 563677138 /nfs/dbraw/zinc/67/71/38/563677138.db2.gz OCDJMFYEVBMDGB-UHFFFAOYSA-N 0 0 338.234 5.171 50 0 EKAARN Cc1cc(C)cc(NCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000032679635 563681521 /nfs/dbraw/zinc/68/15/21/563681521.db2.gz PCCOLMQREWULAK-UHFFFAOYSA-N 0 0 330.431 5.021 50 0 EKAARN Cc1nc(SCc2ccc(C(C)C)cc2)n(C[C@@H]2CCCO2)c1C ZINC000032719398 563704822 /nfs/dbraw/zinc/70/48/22/563704822.db2.gz QMVYIQCUFNDFNV-IBGZPJMESA-N 0 0 344.524 5.095 50 0 EKAARN Cc1nc(SCc2ccc(C(C)C)cc2)n(C[C@H]2CCCO2)c1C ZINC000032719399 563704777 /nfs/dbraw/zinc/70/47/77/563704777.db2.gz QMVYIQCUFNDFNV-LJQANCHMSA-N 0 0 344.524 5.095 50 0 EKAARN CC(C)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000032721487 212829232 /nfs/dbraw/zinc/82/92/32/212829232.db2.gz ADNIMKFGHJWWOZ-MRXNPFEDSA-N 0 0 336.262 5.511 50 0 EKAARN CC(C)C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000032721488 563703599 /nfs/dbraw/zinc/70/35/99/563703599.db2.gz ADNIMKFGHJWWOZ-INIZCTEOSA-N 0 0 336.262 5.511 50 0 EKAARN O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2Cl)o1 ZINC000032721964 212829227 /nfs/dbraw/zinc/82/92/27/212829227.db2.gz XSTSJAFUKPKPEB-UHFFFAOYSA-N 0 0 346.213 5.183 50 0 EKAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000032737971 212830491 /nfs/dbraw/zinc/83/04/91/212830491.db2.gz VDSVBPZSPLGTHF-UHFFFAOYSA-N 0 0 334.202 5.609 50 0 EKAARN CCc1ccccc1NC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000032738052 563722519 /nfs/dbraw/zinc/72/25/19/563722519.db2.gz XAKCEMGAVZLGDF-UHFFFAOYSA-N 0 0 338.476 5.029 50 0 EKAARN C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 ZINC000032738204 563722960 /nfs/dbraw/zinc/72/29/60/563722960.db2.gz WJQVQYRFPBEKEA-CQSZACIVSA-N 0 0 345.433 5.072 50 0 EKAARN C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 ZINC000032738205 563722900 /nfs/dbraw/zinc/72/29/00/563722900.db2.gz WJQVQYRFPBEKEA-AWEZNQCLSA-N 0 0 345.433 5.072 50 0 EKAARN Cn1cc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc21 ZINC000032738588 212832129 /nfs/dbraw/zinc/83/21/29/212832129.db2.gz OPOBWLOYPCKXNH-UHFFFAOYSA-N 0 0 340.426 5.021 50 0 EKAARN Cc1cc2occ(CC(=O)N(C)Cc3ccsc3)c2cc1C(C)C ZINC000032741275 563721757 /nfs/dbraw/zinc/72/17/57/563721757.db2.gz MPLZXYKQKIJFGC-UHFFFAOYSA-N 0 0 341.476 5.127 50 0 EKAARN CCOc1cccc2cc([C@@H](C)NC(=O)Nc3cccc(C)c3)oc21 ZINC000032751227 563724404 /nfs/dbraw/zinc/72/44/04/563724404.db2.gz KUYFLOYTXAHJNR-CQSZACIVSA-N 0 0 338.407 5.023 50 0 EKAARN CCOc1cccc2cc([C@H](C)NC(=O)Nc3cccc(C)c3)oc21 ZINC000032751229 563724383 /nfs/dbraw/zinc/72/43/83/563724383.db2.gz KUYFLOYTXAHJNR-AWEZNQCLSA-N 0 0 338.407 5.023 50 0 EKAARN CN(Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 ZINC000032751340 563724484 /nfs/dbraw/zinc/72/44/84/563724484.db2.gz PGYQVPNZJHMEDB-UHFFFAOYSA-N 0 0 328.415 5.049 50 0 EKAARN Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)co1 ZINC000032752877 212834588 /nfs/dbraw/zinc/83/45/88/212834588.db2.gz QJEMZSVNRYTQAZ-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN Clc1ccc(Cl)c(NCc2coc(-c3cccs3)n2)c1 ZINC000032753214 563727282 /nfs/dbraw/zinc/72/72/82/563727282.db2.gz OQGMFIFQGDCVLD-UHFFFAOYSA-N 0 0 325.220 5.322 50 0 EKAARN Clc1cccc(-c2cnc(CNc3cccc4ccccc43)o2)c1 ZINC000032753216 563727177 /nfs/dbraw/zinc/72/71/77/563727177.db2.gz VWYOITWJOOJVOV-UHFFFAOYSA-N 0 0 334.806 5.760 50 0 EKAARN CCN(C(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1C ZINC000032753772 212834198 /nfs/dbraw/zinc/83/41/98/212834198.db2.gz JTRIAVGNBXSVQG-UHFFFAOYSA-N 0 0 343.641 5.017 50 0 EKAARN CCN(C(=O)c1sc(-c2cccs2)nc1C)c1ccccc1C ZINC000032753797 212834585 /nfs/dbraw/zinc/83/45/85/212834585.db2.gz SLSFKKSIMAGEEV-UHFFFAOYSA-N 0 0 342.489 5.155 50 0 EKAARN CCN(C(=O)c1ccc(-c2ccccc2)nc1C)c1ccccc1C ZINC000032753816 563727260 /nfs/dbraw/zinc/72/72/60/563727260.db2.gz VXPNAYWFCOSREJ-UHFFFAOYSA-N 0 0 330.431 5.032 50 0 EKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccc1Cl ZINC000032753958 212835196 /nfs/dbraw/zinc/83/51/96/212835196.db2.gz UYKOVVWGJXPURN-CQSZACIVSA-N 0 0 341.838 5.238 50 0 EKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccccc1Cl ZINC000032753959 563727614 /nfs/dbraw/zinc/72/76/14/563727614.db2.gz UYKOVVWGJXPURN-AWEZNQCLSA-N 0 0 341.838 5.238 50 0 EKAARN CCn1c(C)cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1C ZINC000032754783 202231752 /nfs/dbraw/zinc/23/17/52/202231752.db2.gz ZBIDZSYTOIZXAG-UHFFFAOYSA-N 0 0 333.435 5.121 50 0 EKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000032760875 202233655 /nfs/dbraw/zinc/23/36/55/202233655.db2.gz YQUMNCLGTLEORB-DNVCBOLYSA-N 0 0 333.431 5.072 50 0 EKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000032760876 563726915 /nfs/dbraw/zinc/72/69/15/563726915.db2.gz YQUMNCLGTLEORB-HNAYVOBHSA-N 0 0 333.431 5.072 50 0 EKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000032760878 212836500 /nfs/dbraw/zinc/83/65/00/212836500.db2.gz YQUMNCLGTLEORB-BEFAXECRSA-N 0 0 333.431 5.072 50 0 EKAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC000032760879 563726909 /nfs/dbraw/zinc/72/69/09/563726909.db2.gz YQUMNCLGTLEORB-KXBFYZLASA-N 0 0 333.431 5.072 50 0 EKAARN CCc1cccc(C)c1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000032764348 563729141 /nfs/dbraw/zinc/72/91/41/563729141.db2.gz ZSTQFUBCTCAFTK-UHFFFAOYSA-N 0 0 336.262 5.436 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1C ZINC000032768036 212838101 /nfs/dbraw/zinc/83/81/01/212838101.db2.gz WLDZCFIHFZLGLQ-UHFFFAOYSA-N 0 0 325.355 5.168 50 0 EKAARN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C ZINC000032768067 563729606 /nfs/dbraw/zinc/72/96/06/563729606.db2.gz VDSXGGDDKMZVHE-UHFFFAOYSA-N 0 0 333.387 5.048 50 0 EKAARN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)s1 ZINC000032768567 563729879 /nfs/dbraw/zinc/72/98/79/563729879.db2.gz JJDSSNIKQHVYQZ-CQSZACIVSA-N 0 0 349.455 5.109 50 0 EKAARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1 ZINC000032768568 563729915 /nfs/dbraw/zinc/72/99/15/563729915.db2.gz JJDSSNIKQHVYQZ-AWEZNQCLSA-N 0 0 349.455 5.109 50 0 EKAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(OC2CCCC2)c1 ZINC000032769544 563729838 /nfs/dbraw/zinc/72/98/38/563729838.db2.gz SCJOVEHRCTXQJM-UHFFFAOYSA-N 0 0 348.446 5.061 50 0 EKAARN CC(C)(C)c1ccccc1NC(=O)c1ccc(CSC(F)F)o1 ZINC000032772265 212839146 /nfs/dbraw/zinc/83/91/46/212839146.db2.gz CBNVKQXDGZBSRI-UHFFFAOYSA-N 0 0 339.407 5.285 50 0 EKAARN O=C(/C=C/c1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032772698 212839729 /nfs/dbraw/zinc/83/97/29/212839729.db2.gz QXJSGKJPXFZBIA-KAUXGEHWSA-N 0 0 348.471 5.063 50 0 EKAARN O=C(/C=C/c1ccccc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032772700 564036216 /nfs/dbraw/zinc/03/62/16/564036216.db2.gz QXJSGKJPXFZBIA-JKGDOXCYSA-N 0 0 348.471 5.063 50 0 EKAARN Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)co1 ZINC000032776578 202233035 /nfs/dbraw/zinc/23/30/35/202233035.db2.gz UDCPMVCYQLPCEP-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2o1 ZINC000032777566 202234138 /nfs/dbraw/zinc/23/41/38/202234138.db2.gz HHWQSAHIMNZCGI-LLVKDONJSA-N 0 0 335.234 5.328 50 0 EKAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2o1 ZINC000032777567 563728865 /nfs/dbraw/zinc/72/88/65/563728865.db2.gz HHWQSAHIMNZCGI-NSHDSACASA-N 0 0 335.234 5.328 50 0 EKAARN O=C(CCSC/C=C/c1ccccc1)Nc1ccc(Cl)cc1F ZINC000032778724 202234466 /nfs/dbraw/zinc/23/44/66/202234466.db2.gz UOEAEMGSBVGSOY-QPJJXVBHSA-N 0 0 349.858 5.254 50 0 EKAARN C[C@@H](SCCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000032778757 202234431 /nfs/dbraw/zinc/23/44/31/202234431.db2.gz ZGINWICISZGPCA-GFCCVEGCSA-N 0 0 337.847 5.302 50 0 EKAARN C[C@H](SCCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000032778758 563734258 /nfs/dbraw/zinc/73/42/58/563734258.db2.gz ZGINWICISZGPCA-LBPRGKRZSA-N 0 0 337.847 5.302 50 0 EKAARN COc1ccccc1-c1cc(CSCc2ccc(C)cc2)on1 ZINC000032779143 212841912 /nfs/dbraw/zinc/84/19/12/212841912.db2.gz DKQIMJZRXKGFAR-UHFFFAOYSA-N 0 0 325.433 5.092 50 0 EKAARN Cc1ccsc1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000032788017 563733828 /nfs/dbraw/zinc/73/38/28/563733828.db2.gz QIDCMEKTKNEMNA-UHFFFAOYSA-N 0 0 341.407 5.027 50 0 EKAARN CC(=O)c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)s1 ZINC000032809457 563752051 /nfs/dbraw/zinc/75/20/51/563752051.db2.gz MRGRDGJNSDFYKR-UHFFFAOYSA-N 0 0 345.489 5.238 50 0 EKAARN CCc1ccccc1Nc1nn(-c2ccccc2C)c(=S)s1 ZINC000032815431 212847317 /nfs/dbraw/zinc/84/73/17/212847317.db2.gz XFHKSLHDELTXMQ-UHFFFAOYSA-N 0 0 327.478 5.278 50 0 EKAARN O=C(Nc1cc(Cl)ccc1F)c1ccccc1SC(F)(F)F ZINC000032816125 212849161 /nfs/dbraw/zinc/84/91/61/212849161.db2.gz MJIQFLABVJLJCX-UHFFFAOYSA-N 0 0 349.736 5.343 50 0 EKAARN Fc1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)c(F)c1F ZINC000032819331 563757531 /nfs/dbraw/zinc/75/75/31/563757531.db2.gz LEFNIXDPCYFEMA-UHFFFAOYSA-N 0 0 338.716 5.024 50 0 EKAARN Cc1nc(Cc2nc(-c3ccc(Cl)cc3Cl)cs2)cs1 ZINC000032825897 563756750 /nfs/dbraw/zinc/75/67/50/563756750.db2.gz CIPDEUVTFZNOIM-UHFFFAOYSA-N 0 0 341.288 5.473 50 0 EKAARN Fc1ccc(Sc2cc(Sc3ccc(F)cc3)ncn2)cc1 ZINC000032831567 563759280 /nfs/dbraw/zinc/75/92/80/563759280.db2.gz DGRRBBIHEOLTCZ-UHFFFAOYSA-N 0 0 332.400 5.057 50 0 EKAARN O=C(Nc1ccccc1Cl)c1ccccc1SCc1ccco1 ZINC000032841419 202238023 /nfs/dbraw/zinc/23/80/23/202238023.db2.gz WDPVCEUIAVWBTE-UHFFFAOYSA-N 0 0 343.835 5.478 50 0 EKAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000032842030 563760870 /nfs/dbraw/zinc/76/08/70/563760870.db2.gz WBTNFEUCQHGQCV-GFCCVEGCSA-N 0 0 345.851 5.495 50 0 EKAARN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000032842032 563760890 /nfs/dbraw/zinc/76/08/90/563760890.db2.gz WBTNFEUCQHGQCV-LBPRGKRZSA-N 0 0 345.851 5.495 50 0 EKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc2ccccc2[nH]1 ZINC000032843951 202237529 /nfs/dbraw/zinc/23/75/29/202237529.db2.gz CIECRNVRYNIONU-UHFFFAOYSA-N 0 0 327.387 5.164 50 0 EKAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccccc1F ZINC000032845913 563762038 /nfs/dbraw/zinc/76/20/38/563762038.db2.gz RAYIVWNAFVSCDP-NRFANRHFSA-N 0 0 345.373 5.091 50 0 EKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccccc1F ZINC000032845915 563762044 /nfs/dbraw/zinc/76/20/44/563762044.db2.gz RAYIVWNAFVSCDP-OAQYLSRUSA-N 0 0 345.373 5.091 50 0 EKAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccs1 ZINC000032845930 212856225 /nfs/dbraw/zinc/85/62/25/212856225.db2.gz FQFXKOXZFCERIS-IBGZPJMESA-N 0 0 333.412 5.014 50 0 EKAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccs1 ZINC000032845932 212856662 /nfs/dbraw/zinc/85/66/62/212856662.db2.gz FQFXKOXZFCERIS-LJQANCHMSA-N 0 0 333.412 5.014 50 0 EKAARN Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 ZINC000032854492 563763052 /nfs/dbraw/zinc/76/30/52/563763052.db2.gz DFOBCGMHELGWOO-UHFFFAOYSA-N 0 0 345.229 5.411 50 0 EKAARN Cc1ccc2nc(C)c(C(=O)Nc3c(C)cc(C)cc3Cl)cc2c1 ZINC000032854552 563763163 /nfs/dbraw/zinc/76/31/63/563763163.db2.gz LDOVOOZMIKBILE-UHFFFAOYSA-N 0 0 338.838 5.374 50 0 EKAARN Cc1cc(C)c(NC(=O)c2cc3ccc(F)cc3nc2C)c(Cl)c1 ZINC000032856114 202238382 /nfs/dbraw/zinc/23/83/82/202238382.db2.gz UHSRMTWPEIYIST-UHFFFAOYSA-N 0 0 342.801 5.205 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)c1ccc(F)cc1Cl ZINC000032857926 202238363 /nfs/dbraw/zinc/23/83/63/202238363.db2.gz YBAGMWPYXKDPLB-UHFFFAOYSA-N 0 0 331.799 5.460 50 0 EKAARN O=C(CCCc1cccs1)Nc1ccccc1-c1cccs1 ZINC000032857929 563763425 /nfs/dbraw/zinc/76/34/25/563763425.db2.gz GNWRAGBJXGICGS-UHFFFAOYSA-N 0 0 327.474 5.438 50 0 EKAARN Cc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 ZINC000032860187 563765040 /nfs/dbraw/zinc/76/50/40/563765040.db2.gz QKASJVGMFMPZRV-UHFFFAOYSA-N 0 0 340.473 5.196 50 0 EKAARN Cc1sc(-c2ccccc2N)nc1-c1ccc(Br)cc1 ZINC000032869542 212859492 /nfs/dbraw/zinc/85/94/92/212859492.db2.gz YVWPNRBQJDTBBM-UHFFFAOYSA-N 0 0 345.265 5.130 50 0 EKAARN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)o1 ZINC000032882382 262513595 /nfs/dbraw/zinc/51/35/95/262513595.db2.gz KIFUUUPCSJSIBN-UHFFFAOYSA-N 0 0 329.808 5.337 50 0 EKAARN Clc1cccc(OCc2csc(-c3ccccn3)n2)c1Cl ZINC000032892843 563782754 /nfs/dbraw/zinc/78/27/54/563782754.db2.gz YGXOZMFPRJDKJY-UHFFFAOYSA-N 0 0 337.231 5.091 50 0 EKAARN Cc1sc(Nc2ccccn2)nc1-c1ccc(Br)cc1 ZINC000032899514 212863964 /nfs/dbraw/zinc/86/39/64/212863964.db2.gz IBERGFFMMBMFKM-UHFFFAOYSA-N 0 0 346.253 5.020 50 0 EKAARN Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccc(C)cc1C ZINC000032900958 563787300 /nfs/dbraw/zinc/78/73/00/563787300.db2.gz QQEIPNOCLHTDEE-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032904338 563790566 /nfs/dbraw/zinc/79/05/66/563790566.db2.gz YWOCGBXLVQVJGS-UHFFFAOYSA-N 0 0 335.407 5.102 50 0 EKAARN CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ccccc21 ZINC000032905284 202240677 /nfs/dbraw/zinc/24/06/77/202240677.db2.gz SDPPXGVOLHYDPB-HSZRJFAPSA-N 0 0 341.454 5.042 50 0 EKAARN CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1CCc2ccccc21 ZINC000032905285 202240728 /nfs/dbraw/zinc/24/07/28/202240728.db2.gz SDPPXGVOLHYDPB-QHCPKHFHSA-N 0 0 341.454 5.042 50 0 EKAARN Cc1nc(Sc2nc3ccccc3c(-c3ccccc3)n2)oc1C ZINC000032906775 202240735 /nfs/dbraw/zinc/24/07/35/202240735.db2.gz XTJQQKZASJMUSW-UHFFFAOYSA-N 0 0 333.416 5.053 50 0 EKAARN Cc1nnc(Oc2ccc(Nc3ccccc3)cc2)c2ccccc12 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CCCCC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)co2)cc1 ZINC000033169288 202252041 /nfs/dbraw/zinc/25/20/41/202252041.db2.gz ORRJONGMCYTTAQ-UHFFFAOYSA-N 0 0 348.446 5.754 50 0 EKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)CC(C)C)cc3)n2)c1 ZINC000033169291 212904067 /nfs/dbraw/zinc/90/40/67/212904067.db2.gz UFYYDGOVQYHPNE-UHFFFAOYSA-N 0 0 348.446 5.610 50 0 EKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1 ZINC000033169295 563964456 /nfs/dbraw/zinc/96/44/56/563964456.db2.gz ISVIPMMOWHPDHS-UHFFFAOYSA-N 0 0 348.446 5.610 50 0 EKAARN CCCC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)co2)cc1 ZINC000033169303 563964480 /nfs/dbraw/zinc/96/44/80/563964480.db2.gz DNESPXAEYGDUDP-UHFFFAOYSA-N 0 0 334.419 5.364 50 0 EKAARN Cc1ccc(C)c(-c2coc(-c3ccc(NC(=O)C(C)C)cc3)n2)c1 ZINC000033169307 563964464 /nfs/dbraw/zinc/96/44/64/563964464.db2.gz WRPZKHPQXCNLTD-UHFFFAOYSA-N 0 0 334.419 5.220 50 0 EKAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)NC1CCCC1 ZINC000033169333 563964490 /nfs/dbraw/zinc/96/44/90/563964490.db2.gz 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345.398 5.139 50 0 EKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NCc1ccccc1 ZINC000033282137 563973041 /nfs/dbraw/zinc/97/30/41/563973041.db2.gz JITUNNASDPPANJ-UHFFFAOYSA-N 0 0 347.439 5.400 50 0 EKAARN Cc1sc2cc(-c3ccccc3)oc2c1C(=O)NC1CCCC1 ZINC000033282143 212916051 /nfs/dbraw/zinc/91/60/51/212916051.db2.gz HTBBPDWQLUWZPR-UHFFFAOYSA-N 0 0 325.433 5.142 50 0 EKAARN COc1ccccc1/C=C1/CC(C)C/C(=C/c2ccccc2OC)C1=O ZINC000033285518 564177499 /nfs/dbraw/zinc/17/74/99/564177499.db2.gz NQYKRTOCIWKIQP-SGAFJUGLSA-N 0 0 348.442 5.170 50 0 EKAARN c1ccc(/C(=C(/c2ccccc2)c2ccncc2)c2ccncc2)cc1 ZINC000033286055 563972936 /nfs/dbraw/zinc/97/29/36/563972936.db2.gz AWPVIMOZZXQEJX-WCWDXBQESA-N 0 0 334.422 5.484 50 0 EKAARN C(=C\c1ccccc1)\Cn1c(COc2ccccc2)nc2ccccc21 ZINC000033286380 212916191 /nfs/dbraw/zinc/91/61/91/212916191.db2.gz CHTDLPWQMXZQLO-XFXZXTDPSA-N 0 0 340.426 5.329 50 0 EKAARN COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033288645 563973009 /nfs/dbraw/zinc/97/30/09/563973009.db2.gz FMYKTQVSKVFIJH-GHXNOFRVSA-N 0 0 343.854 5.298 50 0 EKAARN O=C(/C=C\c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000033288670 563972996 /nfs/dbraw/zinc/97/29/96/563972996.db2.gz DDOHACDUIBPHKB-MSUUIHNZSA-N 0 0 341.454 5.038 50 0 EKAARN O=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccccc1Cl ZINC000033289633 563973074 /nfs/dbraw/zinc/97/30/74/563973074.db2.gz YRSANZTUTZOEFW-HJWRWDBZSA-N 0 0 326.610 5.299 50 0 EKAARN O=C(/C=C\c1cccc2ccccc12)Nc1nc2ccccc2s1 ZINC000033293349 563973122 /nfs/dbraw/zinc/97/31/22/563973122.db2.gz AYHKMOODHHFHTD-SEYXRHQNSA-N 0 0 330.412 5.101 50 0 EKAARN COc1ccc(/C=C\C(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 ZINC000033294172 563973093 /nfs/dbraw/zinc/97/30/93/563973093.db2.gz HYDNMGFRLWTNSZ-LCYFTJDESA-N 0 0 347.458 5.246 50 0 EKAARN C(=C\C1=NN(c2ccccc2)[C@H](c2cccs2)C1)\c1cccs1 ZINC000033295773 212918185 /nfs/dbraw/zinc/91/81/85/212918185.db2.gz ZVRGFIIQETVMJI-LENZSSGSSA-N 0 0 336.485 5.830 50 0 EKAARN Cc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1 ZINC000033297000 563973097 /nfs/dbraw/zinc/97/30/97/563973097.db2.gz FGPMJQQOBDASKJ-UHFFFAOYSA-N 0 0 346.253 5.020 50 0 EKAARN Cc1ccccc1-c1csc(Nc2ccc(Br)cn2)n1 ZINC000033297002 212918705 /nfs/dbraw/zinc/91/87/05/212918705.db2.gz OTGAQMSKVPSJNZ-UHFFFAOYSA-N 0 0 346.253 5.020 50 0 EKAARN CCc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1 ZINC000033298141 212919350 /nfs/dbraw/zinc/91/93/50/212919350.db2.gz YUIHYQVUGJOBEF-UHFFFAOYSA-N 0 0 347.443 5.013 50 0 EKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1C ZINC000033298143 563645629 /nfs/dbraw/zinc/64/56/29/563645629.db2.gz BEBUFHCWEQMKCQ-UHFFFAOYSA-N 0 0 347.443 5.068 50 0 EKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1 ZINC000033298161 212919762 /nfs/dbraw/zinc/91/97/62/212919762.db2.gz SWCUHUDBVYQSCR-UHFFFAOYSA-N 0 0 347.443 5.068 50 0 EKAARN Cc1ccc(-c2csc(Cc3nc(-c4ccccc4C)no3)n2)cc1 ZINC000033298177 202256490 /nfs/dbraw/zinc/25/64/90/202256490.db2.gz XUVBOJGKHNEZMU-UHFFFAOYSA-N 0 0 347.443 5.068 50 0 EKAARN O=C(/C=C\c1ccccc1)Oc1ccccc1-c1nc2ccccc2o1 ZINC000033308152 563973454 /nfs/dbraw/zinc/97/34/54/563973454.db2.gz KKNJAMZCXJHBKQ-PFONDFGASA-N 0 0 341.366 5.114 50 0 EKAARN Cc1csc(-c2cc(NC(=O)c3cccc(Cl)c3)c(C)s2)n1 ZINC000033308467 202256601 /nfs/dbraw/zinc/25/66/01/202256601.db2.gz AKIXJMRZYCSCAG-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1csc(-c2cc(NC(=O)c3cc(C)cc(C)c3)c(C)s2)n1 ZINC000033308468 202256233 /nfs/dbraw/zinc/25/62/33/202256233.db2.gz JAHVWKXHXRBUTN-UHFFFAOYSA-N 0 0 342.489 5.358 50 0 EKAARN Cc1csc(-c2cc(NC(=O)c3ccc(C)cc3C)c(C)s2)n1 ZINC000033308471 563973476 /nfs/dbraw/zinc/97/34/76/563973476.db2.gz HQSBRIPGHKZPLA-UHFFFAOYSA-N 0 0 342.489 5.358 50 0 EKAARN Cc1cc(F)ccc1NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000033310912 563973549 /nfs/dbraw/zinc/97/35/49/563973549.db2.gz IGMXLLBMHJLLPW-HKWRFOASSA-N 0 0 331.390 5.313 50 0 EKAARN O=C(/C=C\c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 ZINC000033311065 564036663 /nfs/dbraw/zinc/03/66/63/564036663.db2.gz SWGCIIZXBIEFMX-FPLPWBNLSA-N 0 0 325.717 5.011 50 0 EKAARN O=C(/C=C\c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 ZINC000033311071 212920688 /nfs/dbraw/zinc/92/06/88/212920688.db2.gz LZALYIVVTBSVPQ-QINSGFPZSA-N 0 0 349.817 5.784 50 0 EKAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 ZINC000033311080 563973552 /nfs/dbraw/zinc/97/35/52/563973552.db2.gz CNJHGMKRPIYEIZ-QINSGFPZSA-N 0 0 333.362 5.270 50 0 EKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cc(C)cc(C)c1 ZINC000033312198 202257400 /nfs/dbraw/zinc/25/74/00/202257400.db2.gz NIQFFFMIHTVCIN-UHFFFAOYSA-N 0 0 337.448 5.064 50 0 EKAARN CCc1cccc(NC(=O)c2sc(Nc3ccccc3)nc2C)c1 ZINC000033312199 563973591 /nfs/dbraw/zinc/97/35/91/563973591.db2.gz DLOFWBQPCXHYEG-UHFFFAOYSA-N 0 0 337.448 5.010 50 0 EKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(C)cc1C ZINC000033312201 563973584 /nfs/dbraw/zinc/97/35/84/563973584.db2.gz RXYRJUUUTWXODM-UHFFFAOYSA-N 0 0 337.448 5.064 50 0 EKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cc(C)ccc1C ZINC000033312202 563973565 /nfs/dbraw/zinc/97/35/65/563973565.db2.gz DEFDHVAGOIXUCY-UHFFFAOYSA-N 0 0 337.448 5.064 50 0 EKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000033312204 564036678 /nfs/dbraw/zinc/03/66/78/564036678.db2.gz YTMWVCZMDZBLAY-UHFFFAOYSA-N 0 0 343.839 5.101 50 0 EKAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccccc2)s1 ZINC000033312228 202257050 /nfs/dbraw/zinc/25/70/50/202257050.db2.gz FUWONSKUJKJKRF-UHFFFAOYSA-N 0 0 337.448 5.010 50 0 EKAARN CCOc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000033315077 212922656 /nfs/dbraw/zinc/92/26/56/212922656.db2.gz FPEAQGCSDGIOTJ-WMZJFQQLSA-N 0 0 336.218 5.044 50 0 EKAARN CN(C(=O)c1cc2c(s1)-c1ccccc1SC2)c1ccccc1 ZINC000033315228 563973602 /nfs/dbraw/zinc/97/36/02/563973602.db2.gz VPLZFBNCLYMFDU-UHFFFAOYSA-N 0 0 337.469 5.297 50 0 EKAARN C/C=C\c1c(F)c(F)c(Oc2ccccc2OCC)c(F)c1F ZINC000033316594 212924349 /nfs/dbraw/zinc/92/43/49/212924349.db2.gz BYNYEJHXMQYUNL-CLTKARDFSA-N 0 0 326.289 5.467 50 0 EKAARN CN(C)C(=O)Oc1c(/C=C\C2=CCCCCC2)sc2ccccc21 ZINC000033318357 563973677 /nfs/dbraw/zinc/97/36/77/563973677.db2.gz UONGBAKTXJNUGV-YPKPFQOOSA-N 0 0 341.476 5.865 50 0 EKAARN CN(C)C(=O)Oc1c(/C=C\C2=CCCCC2)sc2ccccc21 ZINC000033318359 563973671 /nfs/dbraw/zinc/97/36/71/563973671.db2.gz NXVVURCWQXZABV-SEYXRHQNSA-N 0 0 327.449 5.475 50 0 EKAARN CC(C)c1ccccc1OCc1nc2cc(Br)ccc2[nH]1 ZINC000033327170 563974115 /nfs/dbraw/zinc/97/41/15/563974115.db2.gz GVHUISGVOGFLEK-UHFFFAOYSA-N 0 0 345.240 5.028 50 0 EKAARN CC(C)c1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327172 564036706 /nfs/dbraw/zinc/03/67/06/564036706.db2.gz UGIHSYZBFBHHLT-UHFFFAOYSA-N 0 0 335.234 5.572 50 0 EKAARN Cc1cc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl ZINC000033327195 202258312 /nfs/dbraw/zinc/25/83/12/202258312.db2.gz NTBWMDWLEWWBQP-UHFFFAOYSA-N 0 0 341.625 5.411 50 0 EKAARN C[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327208 212926163 /nfs/dbraw/zinc/92/61/63/212926163.db2.gz YRTLDZLTCIJPOS-MRVPVSSYSA-N 0 0 341.625 5.663 50 0 EKAARN C[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327209 202258443 /nfs/dbraw/zinc/25/84/43/202258443.db2.gz YRTLDZLTCIJPOS-QMMMGPOBSA-N 0 0 341.625 5.663 50 0 EKAARN C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327214 563974123 /nfs/dbraw/zinc/97/41/23/563974123.db2.gz ZDKHMANJYMYXDN-MRVPVSSYSA-N 0 0 325.170 5.149 50 0 EKAARN C[C@H](Oc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327215 202258537 /nfs/dbraw/zinc/25/85/37/202258537.db2.gz ZDKHMANJYMYXDN-QMMMGPOBSA-N 0 0 325.170 5.149 50 0 EKAARN Cc1cccc(C)c1O[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327216 563974110 /nfs/dbraw/zinc/97/41/10/563974110.db2.gz GQRGQYAXZMFRHJ-LLVKDONJSA-N 0 0 335.234 5.627 50 0 EKAARN Cc1cccc(C)c1O[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327217 202258361 /nfs/dbraw/zinc/25/83/61/202258361.db2.gz GQRGQYAXZMFRHJ-NSHDSACASA-N 0 0 335.234 5.627 50 0 EKAARN Cc1ccc(O[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C ZINC000033327218 563974130 /nfs/dbraw/zinc/97/41/30/563974130.db2.gz SIQPOWQIMJTMGW-LLVKDONJSA-N 0 0 335.234 5.627 50 0 EKAARN Cc1ccc(O[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C ZINC000033327219 563974121 /nfs/dbraw/zinc/97/41/21/563974121.db2.gz SIQPOWQIMJTMGW-NSHDSACASA-N 0 0 335.234 5.627 50 0 EKAARN CCCCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000033328586 564036692 /nfs/dbraw/zinc/03/66/92/564036692.db2.gz SCAHKUNJVPTZBQ-UHFFFAOYSA-N 0 0 341.842 5.402 50 0 EKAARN CCCC[C@@H](CC)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000033328600 564036700 /nfs/dbraw/zinc/03/67/00/564036700.db2.gz TXPXAIZJROSXIB-OAHLLOKOSA-N 0 0 335.451 5.385 50 0 EKAARN CCCC[C@H](CC)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000033328602 563974285 /nfs/dbraw/zinc/97/42/85/563974285.db2.gz TXPXAIZJROSXIB-HNNXBMFYSA-N 0 0 335.451 5.385 50 0 EKAARN Cc1ccc2[nH]c(-c3cccc(NC(=O)C4CCCCC4)c3)nc2c1 ZINC000033328637 563974302 /nfs/dbraw/zinc/97/43/02/563974302.db2.gz FHGMJRGUCNFMQP-UHFFFAOYSA-N 0 0 333.435 5.057 50 0 EKAARN Cc1nc(-c2cc3ccc(C)cc3nc2N[C@H](C)c2ccccc2)no1 ZINC000033331446 202258872 /nfs/dbraw/zinc/25/88/72/202258872.db2.gz ISCZPKHXEKUUDY-CQSZACIVSA-N 0 0 344.418 5.075 50 0 EKAARN Cc1nc(-c2cc3ccc(C)cc3nc2N[C@@H](C)c2ccccc2)no1 ZINC000033331447 563974455 /nfs/dbraw/zinc/97/44/55/563974455.db2.gz ISCZPKHXEKUUDY-AWEZNQCLSA-N 0 0 344.418 5.075 50 0 EKAARN Cc1nc(-c2cc3cc(C)ccc3nc2N[C@H](C)c2ccccc2)no1 ZINC000033331448 563974447 /nfs/dbraw/zinc/97/44/47/563974447.db2.gz CENVQZDILJMPOI-CQSZACIVSA-N 0 0 344.418 5.075 50 0 EKAARN Cc1nc(-c2cc3cc(C)ccc3nc2N[C@@H](C)c2ccccc2)no1 ZINC000033331450 563974432 /nfs/dbraw/zinc/97/44/32/563974432.db2.gz CENVQZDILJMPOI-AWEZNQCLSA-N 0 0 344.418 5.075 50 0 EKAARN Cc1cccc2cc(-c3noc(C(C)C)n3)c(NC3CCCC3)nc12 ZINC000033331463 202258654 /nfs/dbraw/zinc/25/86/54/202258654.db2.gz YGTUPARCMOCRDP-UHFFFAOYSA-N 0 0 336.439 5.071 50 0 EKAARN Cc1nc(-c2cc3ccc(C)cc3nc2NC2CCCCCC2)no1 ZINC000033331470 202258909 /nfs/dbraw/zinc/25/89/09/202258909.db2.gz ZAYFPLQJEZIBOA-UHFFFAOYSA-N 0 0 336.439 5.036 50 0 EKAARN CCCc1nc(-c2cc3cc(C)ccc3nc2Nc2ccccc2)no1 ZINC000033331554 563974430 /nfs/dbraw/zinc/97/44/30/563974430.db2.gz AAVIKFSWCQUWFR-UHFFFAOYSA-N 0 0 344.418 5.289 50 0 EKAARN Cc1ccc2nc(Nc3ccccc3)c(-c3noc(C(C)C)n3)cc2c1 ZINC000033331555 563974428 /nfs/dbraw/zinc/97/44/28/563974428.db2.gz HCLBFXNAKUMFAL-UHFFFAOYSA-N 0 0 344.418 5.460 50 0 EKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000033340211 202258066 /nfs/dbraw/zinc/25/80/66/202258066.db2.gz SYMQZHCFDPAIKS-WAPJZHGLSA-N 0 0 326.610 5.299 50 0 EKAARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000033381385 564036763 /nfs/dbraw/zinc/03/67/63/564036763.db2.gz WLKFBDXUALOSJE-WDZFZDKYSA-N 0 0 331.818 5.429 50 0 EKAARN CC[C@@H](C)c1cc(/C=C2\OC(=O)c3ccccc32)cc(C(C)C)c1O ZINC000033386718 563983120 /nfs/dbraw/zinc/98/31/20/563983120.db2.gz FMULPEQWVYLEJY-FAPYRAKZSA-N 0 0 336.431 5.698 50 0 EKAARN CC[C@H](C)c1cc(/C=C2\OC(=O)c3ccccc32)cc(C(C)C)c1O ZINC000033386719 212932487 /nfs/dbraw/zinc/93/24/87/212932487.db2.gz FMULPEQWVYLEJY-GQFJFNLSSA-N 0 0 336.431 5.698 50 0 EKAARN C(=C\C1=NN(c2ccccc2)[C@@H](c2cccs2)C1)\c1cccs1 ZINC000033387592 212931850 /nfs/dbraw/zinc/93/18/50/212931850.db2.gz ZVRGFIIQETVMJI-RXQFDZFGSA-N 0 0 336.485 5.830 50 0 EKAARN CSc1ccc(/C=C\c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000033415080 202260377 /nfs/dbraw/zinc/26/03/77/202260377.db2.gz UNPORMWYPOKKKL-WCIBSUBMSA-N 0 0 327.449 5.842 50 0 EKAARN Oc1cccc2ccc(/C=C\c3ccc(-c4cccc(Cl)c4)o3)nc12 ZINC000033419692 563992014 /nfs/dbraw/zinc/99/20/14/563992014.db2.gz OZUHBKRRWNABKU-KTKRTIGZSA-N 0 0 347.801 6.024 50 0 EKAARN CCCCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000033426815 212939360 /nfs/dbraw/zinc/93/93/60/212939360.db2.gz HPTWABVHEZXCFE-BOPFTXTBSA-N 0 0 327.811 5.012 50 0 EKAARN Oc1cccc2ccc(/C=C\c3ccc(-c4ccccc4Cl)o3)nc12 ZINC000033430309 563992097 /nfs/dbraw/zinc/99/20/97/563992097.db2.gz XYVPWPOJHTYZDW-KHPPLWFESA-N 0 0 347.801 6.024 50 0 EKAARN O=c1oc(/C=C\c2ccccc2)nc2scc(-c3cccs3)c21 ZINC000033447995 563992152 /nfs/dbraw/zinc/99/21/52/563992152.db2.gz SKSKNNWBVNFHMJ-HJWRWDBZSA-N 0 0 337.425 5.148 50 0 EKAARN Cc1ccc(Cn2c(/C=C\c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000033448081 202262120 /nfs/dbraw/zinc/26/21/20/202262120.db2.gz FIFHUJXILTUCEG-QINSGFPZSA-N 0 0 342.417 5.703 50 0 EKAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033455803 568418385 /nfs/dbraw/zinc/41/83/85/568418385.db2.gz OAPBEAXCURUBCJ-HCYCVZQXSA-N 0 0 348.273 5.144 50 0 EKAARN C[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033455805 212940645 /nfs/dbraw/zinc/94/06/45/212940645.db2.gz OAPBEAXCURUBCJ-GAJOTYCWSA-N 0 0 348.273 5.144 50 0 EKAARN CCC(=O)Oc1cccc2ccc(/C=C\c3ccc(SC)cc3)nc21 ZINC000033457014 564036820 /nfs/dbraw/zinc/03/68/20/564036820.db2.gz BILZADPSDHBDLG-XFFZJAGNSA-N 0 0 349.455 5.443 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000033467028 202261676 /nfs/dbraw/zinc/26/16/76/202261676.db2.gz WFMQTPABMBDIFX-KHPPLWFESA-N 0 0 347.380 5.789 50 0 EKAARN COc1cc2c(cc1NC(=O)/C=C\c1cccs1)oc1ccccc12 ZINC000033472606 202263084 /nfs/dbraw/zinc/26/30/84/202263084.db2.gz LGPNXRCEELCBCV-HJWRWDBZSA-N 0 0 349.411 5.308 50 0 EKAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\c1ccc2ccccc2n1 ZINC000033530929 202267256 /nfs/dbraw/zinc/26/72/56/202267256.db2.gz MBARATHBYSTJCL-PFONDFGASA-N 0 0 325.415 5.208 50 0 EKAARN CC(C)OC(=O)c1ccc(-c2nc3c(ccc(Cl)c3Cl)[nH]2)cc1 ZINC000033559097 564076116 /nfs/dbraw/zinc/07/61/16/564076116.db2.gz MNACPGNIJVKAAG-UHFFFAOYSA-N 0 0 349.217 5.102 50 0 EKAARN CCCCn1c(-c2ccc(F)cc2)cc2cc(Br)ccc21 ZINC000033559174 564076111 /nfs/dbraw/zinc/07/61/11/564076111.db2.gz BKDCRRHAHLXNRI-UHFFFAOYSA-N 0 0 346.243 6.010 50 0 EKAARN CC(C)(C)C1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000033560032 564177503 /nfs/dbraw/zinc/17/75/03/564177503.db2.gz MGORMIBKCGZSKY-SIBCGJTDSA-N 0 0 330.471 6.179 50 0 EKAARN Clc1ccc(OCCCc2nc3ccccc3s2)c(Cl)c1 ZINC000033573608 202266558 /nfs/dbraw/zinc/26/65/58/202266558.db2.gz RJUPYVNSWZIHLQ-UHFFFAOYSA-N 0 0 338.259 5.615 50 0 EKAARN O=C(c1ccc(Cl)cc1)c1ccc(OC/C=C\c2ccccc2)cc1 ZINC000033581424 202267357 /nfs/dbraw/zinc/26/73/57/202267357.db2.gz GVBAVVDGYYXIFQ-DAXSKMNVSA-N 0 0 348.829 5.663 50 0 EKAARN CCc1cccc(CC)c1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033596015 212956288 /nfs/dbraw/zinc/95/62/88/212956288.db2.gz VWXNMOKANCPREP-SSZFMOIBSA-N 0 0 335.491 5.761 50 0 EKAARN CCCCCCOc1ccc(/C=C\c2nc3ccccc3s2)cc1 ZINC000033611855 212957128 /nfs/dbraw/zinc/95/71/28/212957128.db2.gz HUXGIYWCIQHRHI-QINSGFPZSA-N 0 0 337.488 6.426 50 0 EKAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)c4ccccc4c32)cc1 ZINC000033614644 563993521 /nfs/dbraw/zinc/99/35/21/563993521.db2.gz YTZKKKYRDQFUNF-UHFFFAOYSA-N 0 0 345.398 5.009 50 0 EKAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000033626323 212956753 /nfs/dbraw/zinc/95/67/53/212956753.db2.gz XTFCZDWDHLTEMU-UHFFFAOYSA-N 0 0 334.124 5.265 50 0 EKAARN Cc1cc2nc(/C=C\c3ccccc3OC(F)F)sc2cc1C ZINC000033636255 202267501 /nfs/dbraw/zinc/26/75/01/202267501.db2.gz LSVOIEBQWGQPNB-FPLPWBNLSA-N 0 0 331.387 5.685 50 0 EKAARN CCCCOc1ccc(/C=C\c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000033643357 202268228 /nfs/dbraw/zinc/26/82/28/202268228.db2.gz QUHIYQKSACECHK-ZROIWOOFSA-N 0 0 349.499 6.468 50 0 EKAARN Cc1ccc(-c2ccc(OC(=O)/C=C\c3cccs3)c(C)c2)cc1 ZINC000033652209 202267780 /nfs/dbraw/zinc/26/77/80/202267780.db2.gz AFFTUEYCIRPYKF-BENRWUELSA-N 0 0 334.440 5.651 50 0 EKAARN COc1ccc(/C=C\c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000033653828 563993752 /nfs/dbraw/zinc/99/37/52/563993752.db2.gz KPMWWKKWRMGHJI-WTKPLQERSA-N 0 0 347.201 5.222 50 0 EKAARN O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000033653868 563993757 /nfs/dbraw/zinc/99/37/57/563993757.db2.gz UOAQOWPHLGJTMJ-UHFFFAOYSA-N 0 0 345.876 5.439 50 0 EKAARN O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000033657199 212957665 /nfs/dbraw/zinc/95/76/65/212957665.db2.gz SZACUFKPGKHDHN-XDHOZWIPSA-N 0 0 331.802 5.500 50 0 EKAARN CCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc(C)c1 ZINC000033673390 212959253 /nfs/dbraw/zinc/95/92/53/212959253.db2.gz XBEOTNGFSMAEML-FQEVSTJZSA-N 0 0 348.490 5.087 50 0 EKAARN CCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc(C)c1 ZINC000033673391 212959179 /nfs/dbraw/zinc/95/91/79/212959179.db2.gz XBEOTNGFSMAEML-HXUWFJFHSA-N 0 0 348.490 5.087 50 0 EKAARN COc1cc(/C=C\c2nc3cc(C)c(C)cc3s2)cc(OC)c1 ZINC000033674364 212959267 /nfs/dbraw/zinc/95/92/67/212959267.db2.gz IUOQGZRIFNFIDV-WAYWQWQTSA-N 0 0 325.433 5.101 50 0 EKAARN CC(=O)c1cccc(NC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@H]23)c1 ZINC000033679764 212959120 /nfs/dbraw/zinc/95/91/20/212959120.db2.gz BJQOSONJQCUKEY-SSLUEOPPSA-N 0 0 337.463 5.157 50 0 EKAARN CC(C)N(Cc1ccccc1)C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000033684035 202267931 /nfs/dbraw/zinc/26/79/31/202267931.db2.gz MRGOQIMGYNYXOC-QXMHVHEDSA-N 0 0 347.380 5.156 50 0 EKAARN O=C(OCc1ccccc1)/C(=C\c1cccs1)c1cccs1 ZINC000033697720 202269283 /nfs/dbraw/zinc/26/92/83/202269283.db2.gz NTBCJARMBLXTSE-VBKFSLOCSA-N 0 0 326.442 5.094 50 0 EKAARN COc1ccc(-c2csc(/C=C\c3cccc(Cl)c3)n2)cc1 ZINC000033703176 202269516 /nfs/dbraw/zinc/26/95/16/202269516.db2.gz GSVODKXRZXCCGZ-YHYXMXQVSA-N 0 0 327.836 5.643 50 0 EKAARN COc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000033726776 563994043 /nfs/dbraw/zinc/99/40/43/563994043.db2.gz QBDZZRAMQARRBW-ZROIWOOFSA-N 0 0 327.383 5.674 50 0 EKAARN Clc1ccc2onc(-c3cnc4c(c3)COc3ccccc3-4)c2c1 ZINC000033730361 564076121 /nfs/dbraw/zinc/07/61/21/564076121.db2.gz ADFAKULQJKLXTB-UHFFFAOYSA-N 0 0 334.762 5.103 50 0 EKAARN CCCCC[C@@H](C)CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000033733563 563994102 /nfs/dbraw/zinc/99/41/02/563994102.db2.gz SKPZLLLQCPQIOT-OBEJXRGXSA-N 0 0 343.442 5.432 50 0 EKAARN CCCCC[C@H](C)CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000033733564 563994116 /nfs/dbraw/zinc/99/41/16/563994116.db2.gz SKPZLLLQCPQIOT-HECSCLNYSA-N 0 0 343.442 5.432 50 0 EKAARN Fc1ccc(-c2csc(/C=C\c3c(F)cccc3Cl)n2)cc1 ZINC000033737264 212962364 /nfs/dbraw/zinc/96/23/64/212962364.db2.gz CHUOHCCLQTWFGL-HJWRWDBZSA-N 0 0 333.790 5.912 50 0 EKAARN CCCCc1ccc2nc(NC(=O)/C=C\c3ccc(C)o3)sc2c1 ZINC000033794188 202270559 /nfs/dbraw/zinc/27/05/59/202270559.db2.gz LALMHAHUXUWWQA-LUAWRHEFSA-N 0 0 340.448 5.192 50 0 EKAARN Brc1cccc2c3cccc(Br)c3sc21 ZINC000033798280 212964663 /nfs/dbraw/zinc/96/46/63/212964663.db2.gz ULGFJZPCGNTWFK-UHFFFAOYSA-N 0 0 342.055 5.580 50 0 EKAARN CCCC[C@@H](CC)COC(=O)/C=C\C(=O)OC[C@H](CC)CCCC ZINC000033841139 563916570 /nfs/dbraw/zinc/91/65/70/563916570.db2.gz ROPXFXOUUANXRR-RUDFYFPKSA-N 0 0 340.504 5.062 50 0 EKAARN Fc1ccccc1N1N=C(/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000033906746 564000241 /nfs/dbraw/zinc/00/02/41/564000241.db2.gz AKKJDTCUTTVQMW-VJVQGEDVSA-N 0 0 342.417 5.847 50 0 EKAARN Fc1ccccc1N1N=C(/C=C\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000033906748 564000243 /nfs/dbraw/zinc/00/02/43/564000243.db2.gz AKKJDTCUTTVQMW-DHOHLHFPSA-N 0 0 342.417 5.847 50 0 EKAARN Clc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000033907276 202270403 /nfs/dbraw/zinc/27/04/03/202270403.db2.gz FVCCMTQMKVHVGQ-JYRVWZFOSA-N 0 0 331.802 6.319 50 0 EKAARN Fc1cccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000033907287 564000226 /nfs/dbraw/zinc/00/02/26/564000226.db2.gz JJYWCZBOEDZFSM-SYKNXGGPSA-N 0 0 342.417 5.847 50 0 EKAARN Fc1cccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000033907288 564000218 /nfs/dbraw/zinc/00/02/18/564000218.db2.gz JJYWCZBOEDZFSM-HVMBHNBBSA-N 0 0 342.417 5.847 50 0 EKAARN COc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1OC ZINC000033907362 564000263 /nfs/dbraw/zinc/00/02/63/564000263.db2.gz KYJQUDVIXVEFLV-WQLSENKSSA-N 0 0 347.439 5.637 50 0 EKAARN Cc1ccccc1N1N=C(/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000033907774 564037657 /nfs/dbraw/zinc/03/76/57/564037657.db2.gz KFCXXEMEAFBTHW-WIJSZAOYSA-N 0 0 338.454 6.016 50 0 EKAARN Cc1ccccc1N1N=C(/C=C\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000033907775 212968654 /nfs/dbraw/zinc/96/86/54/212968654.db2.gz KFCXXEMEAFBTHW-NSNCMOJPSA-N 0 0 338.454 6.016 50 0 EKAARN CCOc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000033910043 564000319 /nfs/dbraw/zinc/00/03/19/564000319.db2.gz YTRULUGECUHHFM-GDNBJRDFSA-N 0 0 341.410 6.064 50 0 EKAARN CC(=C/c1ccccc1)/C=C1\N=C(c2cccc3ccccc32)OC1=O ZINC000033921123 564000660 /nfs/dbraw/zinc/00/06/60/564000660.db2.gz BKMNLMJVFHBFCT-NYOUHLRHSA-N 0 0 339.394 5.131 50 0 EKAARN CCCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OCC ZINC000033921575 564177510 /nfs/dbraw/zinc/17/75/10/564177510.db2.gz QEJJMJMGNUHBMT-UYRXBGFRSA-N 0 0 340.444 5.204 50 0 EKAARN COc1ccc(/C=C\C(=O)n2c3ccccc3c3ccccc32)cc1 ZINC000033923927 564000721 /nfs/dbraw/zinc/00/07/21/564000721.db2.gz CVFLBPMOSBLFTP-QINSGFPZSA-N 0 0 327.383 5.157 50 0 EKAARN Cn1c2ccccc2c2cc(/C=C\c3nc4ccccc4s3)ccc21 ZINC000033924503 212970378 /nfs/dbraw/zinc/97/03/78/212970378.db2.gz RXVWEZAHOZYBAH-QBFSEMIESA-N 0 0 340.451 6.112 50 0 EKAARN CCN1c2ccc(C)cc2C=C/C1=C\C=C1/c2ccccc2N=C1C ZINC000033926801 564000842 /nfs/dbraw/zinc/00/08/42/564000842.db2.gz VEHXALRUWYKXPK-JFUXKBHTSA-N 0 0 326.443 5.922 50 0 EKAARN CN(C)c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000033934880 568415186 /nfs/dbraw/zinc/41/51/86/568415186.db2.gz UMRUDSZUNDFSRG-UHFFFAOYSA-N 0 0 331.419 5.123 50 0 EKAARN Nc1cccc(Oc2cc(Cl)cc(Oc3cccc(N)c3)c2)c1 ZINC000034080177 563916732 /nfs/dbraw/zinc/91/67/32/563916732.db2.gz PVAFXZHYHVOLDG-UHFFFAOYSA-N 0 0 326.783 5.089 50 0 EKAARN FC(F)(F)c1ccc2c(Br)cc(C(F)(F)F)nc2c1 ZINC000034091674 202272757 /nfs/dbraw/zinc/27/27/57/202272757.db2.gz ICOTWQFECIUUHC-UHFFFAOYSA-N 0 0 344.052 5.035 50 0 EKAARN Oc1ccc(C2(c3ccc(O)c(Cl)c3)CCCCC2)cc1Cl ZINC000034343423 564038774 /nfs/dbraw/zinc/03/87/74/564038774.db2.gz SANDGKAKRMRKKL-UHFFFAOYSA-N 0 0 337.246 5.655 50 0 EKAARN CC1(C)CC2=NN(c3ccccc3)[C@@]34CC(C)(C)C[C@@](C)(CC(=C23)C1)C4 ZINC000034346064 564005137 /nfs/dbraw/zinc/00/51/37/564005137.db2.gz WPGBPSKQFPXVKF-DNQXCXABSA-N 0 0 348.534 6.338 50 0 EKAARN CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000034375325 563916922 /nfs/dbraw/zinc/91/69/22/563916922.db2.gz AGUBCDYYAKENKG-SEIRJHJZSA-N 0 0 330.512 5.685 50 0 EKAARN CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@@H]2C(C)(C)O)c(O)c1 ZINC000034427480 290700545 /nfs/dbraw/zinc/70/05/45/290700545.db2.gz FTDORWGKHUOHKJ-SJORKVTESA-N 0 0 332.484 5.041 50 0 EKAARN CSc1oc(-c2ccc(C)cc2)nc1-c1nc2ccccc2s1 ZINC000034432976 202273631 /nfs/dbraw/zinc/27/36/31/202273631.db2.gz FKPGMJMYQFTOTG-UHFFFAOYSA-N 0 0 338.457 5.649 50 0 EKAARN C(=C/C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21)\c1ccccc1 ZINC000034504489 563919040 /nfs/dbraw/zinc/91/90/40/563919040.db2.gz XQGBZXMCLMLQML-CCEZHUSRSA-N 0 0 348.449 6.495 50 0 EKAARN Nc1c2ccccc2oc1C(=O)c1ccc(-c2ccc(F)cc2F)cc1 ZINC000034513100 564076144 /nfs/dbraw/zinc/07/61/44/564076144.db2.gz IGVLQGAIICOEBK-UHFFFAOYSA-N 0 0 349.336 5.191 50 0 EKAARN Nc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N)cc21 ZINC000034552057 202273844 /nfs/dbraw/zinc/27/38/44/202273844.db2.gz GXXFPQGHCPOFSD-UHFFFAOYSA-N 0 0 346.433 5.195 50 0 EKAARN Cc1cc(C(=O)C(=C2SCS2)c2ccncc2)ccc1Cl ZINC000034570608 564129181 /nfs/dbraw/zinc/12/91/81/564129181.db2.gz VFEJPRBACBWSOQ-UHFFFAOYSA-N 0 0 333.865 5.032 50 0 EKAARN Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccccc1Cl)C2 ZINC000034591400 563444381 /nfs/dbraw/zinc/44/43/81/563444381.db2.gz GOXUUFPBPILDDC-OAHLLOKOSA-N 0 0 336.822 5.487 50 0 EKAARN Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1Cl)C2 ZINC000034591401 563444877 /nfs/dbraw/zinc/44/48/77/563444877.db2.gz GOXUUFPBPILDDC-HNNXBMFYSA-N 0 0 336.822 5.487 50 0 EKAARN CCCn1c(=O)cc(Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000034634654 564033098 /nfs/dbraw/zinc/03/30/98/564033098.db2.gz VHFCYVADKNDFMF-UHFFFAOYSA-N 0 0 346.352 5.174 50 0 EKAARN CCOC(=O)/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000034646149 563919563 /nfs/dbraw/zinc/91/95/63/563919563.db2.gz ZELWYCSDHIFMOP-MTJYDOFUSA-N 0 0 328.496 6.081 50 0 EKAARN Cc1cc2c(cc(C(=O)NCC(C)C)n2[C@@H](C)c2ccccc2)s1 ZINC000034680247 563449386 /nfs/dbraw/zinc/44/93/86/563449386.db2.gz GYTHAGWLINVRAG-HNNXBMFYSA-N 0 0 340.492 5.006 50 0 EKAARN Cc1cc2c(cc(C(=O)NCC(C)C)n2[C@H](C)c2ccccc2)s1 ZINC000034680248 563449567 /nfs/dbraw/zinc/44/95/67/563449567.db2.gz GYTHAGWLINVRAG-OAHLLOKOSA-N 0 0 340.492 5.006 50 0 EKAARN Fc1ccc(/C=C\c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000034689548 563447429 /nfs/dbraw/zinc/44/74/29/563447429.db2.gz VOPGIAVIYKTXKE-BAQGIRSFSA-N 0 0 335.165 5.353 50 0 EKAARN C[C@@]1(c2ccccc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000034723366 202276015 /nfs/dbraw/zinc/27/60/15/202276015.db2.gz MPZLKXLCKRMZDC-GMAHTHKFSA-N 0 0 340.426 5.103 50 0 EKAARN C[C@]1(c2ccccc2)Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000034723368 564056317 /nfs/dbraw/zinc/05/63/17/564056317.db2.gz MPZLKXLCKRMZDC-JTHBVZDNSA-N 0 0 340.426 5.103 50 0 EKAARN CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1 ZINC000034781172 563919686 /nfs/dbraw/zinc/91/96/86/563919686.db2.gz ZUNCHZBITMUSRD-UHFFFAOYSA-N 0 0 325.633 5.092 50 0 EKAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C1CCCCC1 ZINC000034794691 212987148 /nfs/dbraw/zinc/98/71/48/212987148.db2.gz ITTFZJVUCBLZPC-UHFFFAOYSA-N 0 0 345.874 5.201 50 0 EKAARN Cc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CCCCC2)c(C)c1 ZINC000034794835 563479948 /nfs/dbraw/zinc/47/99/48/563479948.db2.gz XGLSQHZZDFLJCF-UHFFFAOYSA-N 0 0 337.467 5.090 50 0 EKAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)C1CCCCC1 ZINC000034794890 212987226 /nfs/dbraw/zinc/98/72/26/212987226.db2.gz DDQGHPCTERDBJT-UHFFFAOYSA-N 0 0 339.483 5.165 50 0 EKAARN CCCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)(C)C ZINC000034794897 212987165 /nfs/dbraw/zinc/98/71/65/212987165.db2.gz BXLKFDCYISAFQX-UHFFFAOYSA-N 0 0 327.472 5.021 50 0 EKAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)CC(C)(C)C ZINC000034795711 212988249 /nfs/dbraw/zinc/98/82/49/212988249.db2.gz MWUKZDXJEWPLSR-UHFFFAOYSA-N 0 0 327.472 5.057 50 0 EKAARN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)CC1CCCC1 ZINC000034795744 202277608 /nfs/dbraw/zinc/27/76/08/202277608.db2.gz RAKMWCLBGIUPAO-UHFFFAOYSA-N 0 0 339.483 5.201 50 0 EKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)c1ccccc1 ZINC000034795751 563480337 /nfs/dbraw/zinc/48/03/37/563480337.db2.gz LJAWKAOPVNOIDV-UHFFFAOYSA-N 0 0 347.462 5.189 50 0 EKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)CC(C)(C)C ZINC000034795764 202277460 /nfs/dbraw/zinc/27/74/60/202277460.db2.gz YKFUCFNXYKMTMP-UHFFFAOYSA-N 0 0 341.499 5.311 50 0 EKAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)C1CCCC1 ZINC000034795778 563480316 /nfs/dbraw/zinc/48/03/16/563480316.db2.gz HPTHCSDLEGJYIO-UHFFFAOYSA-N 0 0 339.483 5.065 50 0 EKAARN CC(C)(C)C(=O)Nc1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1C1CC1 ZINC000034795800 563480369 /nfs/dbraw/zinc/48/03/69/563480369.db2.gz CYJHDNKLFCZWSE-UHFFFAOYSA-N 0 0 339.483 5.236 50 0 EKAARN CC(C)CC(=O)Nc1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1C1CC1 ZINC000034795828 212988517 /nfs/dbraw/zinc/98/85/17/212988517.db2.gz IDYDHQNVCFJAPG-UHFFFAOYSA-N 0 0 339.483 5.236 50 0 EKAARN Cc1ccc(Oc2ccc(NC(=O)Nc3cccc(C)c3)cn2)cc1 ZINC000034840469 563478905 /nfs/dbraw/zinc/47/89/05/563478905.db2.gz QVTLXGUBDCOEKH-UHFFFAOYSA-N 0 0 333.391 5.135 50 0 EKAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1ccc(C2CCCCC2)cc1 ZINC000034848428 563479204 /nfs/dbraw/zinc/47/92/04/563479204.db2.gz KTYRJNIASIXYFM-QPEQYQDCSA-N 0 0 349.430 5.115 50 0 EKAARN NC(=S)N1N=C2C(=Cc3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000034856969 563919840 /nfs/dbraw/zinc/91/98/40/563919840.db2.gz HOPJYLKOMWOWSH-CWWQYYKHSA-N 0 0 347.487 5.148 50 0 EKAARN NC(=S)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000034856970 563919867 /nfs/dbraw/zinc/91/98/67/563919867.db2.gz HOPJYLKOMWOWSH-NUAJHHBDSA-N 0 0 347.487 5.148 50 0 EKAARN CN(C(=O)/C=C\c1cccs1)C(c1ccccc1)c1ccccc1 ZINC000034868378 212993386 /nfs/dbraw/zinc/99/33/86/212993386.db2.gz UOPRERFHEODFGW-PFONDFGASA-N 0 0 333.456 5.009 50 0 EKAARN Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N21 ZINC000034895834 202280476 /nfs/dbraw/zinc/28/04/76/202280476.db2.gz RZMSEVAAEBXXHE-AZRAODJOSA-N 0 0 344.845 5.267 50 0 EKAARN Clc1ccccc1[C@@H]1N=C(c2ccccc2)[C@H]2[C@H](c3ccccc3)N21 ZINC000034895835 202279740 /nfs/dbraw/zinc/27/97/40/202279740.db2.gz RZMSEVAAEBXXHE-SVKILVKPSA-N 0 0 344.845 5.267 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3C)nc2)cc1 ZINC000034898347 202279949 /nfs/dbraw/zinc/27/99/49/202279949.db2.gz MNJJUPGCJJQOTL-UHFFFAOYSA-N 0 0 333.391 5.135 50 0 EKAARN Cc1ccccc1NC(=O)Nc1ccc(Oc2ccccc2C)nc1 ZINC000034898351 563483282 /nfs/dbraw/zinc/48/32/82/563483282.db2.gz BUSOMGYLWZBORL-UHFFFAOYSA-N 0 0 333.391 5.135 50 0 EKAARN CC(C)[C@H](C)NC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000034899311 563483522 /nfs/dbraw/zinc/48/35/22/563483522.db2.gz VVCHJPRMDLOBBO-HNNXBMFYSA-N 0 0 340.467 5.164 50 0 EKAARN CCn1nc(C(=O)Nc2ccccc2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034901998 563483908 /nfs/dbraw/zinc/48/39/08/563483908.db2.gz RBIFTKNAANVHDH-UHFFFAOYSA-N 0 0 347.462 5.120 50 0 EKAARN Cc1cccc(C)c1OCc1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000034906938 202279841 /nfs/dbraw/zinc/27/98/41/202279841.db2.gz NOPOHYYKHDGRAM-UHFFFAOYSA-N 0 0 349.217 5.239 50 0 EKAARN Clc1ccccc1OCc1noc(-c2cccc3ccccc32)n1 ZINC000034906999 212995708 /nfs/dbraw/zinc/99/57/08/212995708.db2.gz JEZQUAHSFQBKAB-UHFFFAOYSA-N 0 0 336.778 5.122 50 0 EKAARN Clc1cccc(OCc2noc(-c3cccc4ccccc43)n2)c1 ZINC000034907003 563481318 /nfs/dbraw/zinc/48/13/18/563481318.db2.gz YXFFEGZLBGNSJG-UHFFFAOYSA-N 0 0 336.778 5.122 50 0 EKAARN Clc1ccccc1OCc1noc(-c2ccc3ccccc3c2)n1 ZINC000034907012 202279782 /nfs/dbraw/zinc/27/97/82/202279782.db2.gz HIRANRSEWRDTNY-UHFFFAOYSA-N 0 0 336.778 5.122 50 0 EKAARN CC(C)c1cccc(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907016 202280480 /nfs/dbraw/zinc/28/04/80/202280480.db2.gz LYOOOKDBEJVKNP-UHFFFAOYSA-N 0 0 344.414 5.592 50 0 EKAARN Clc1cccc(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907017 202279912 /nfs/dbraw/zinc/27/99/12/202279912.db2.gz AHJSZRWHAKOERV-UHFFFAOYSA-N 0 0 336.778 5.122 50 0 EKAARN CC(C)c1cccc(OCc2noc(-c3cccc(Cl)c3)n2)c1 ZINC000034907055 563481907 /nfs/dbraw/zinc/48/19/07/563481907.db2.gz CCIJENIDUNZKKM-UHFFFAOYSA-N 0 0 328.799 5.092 50 0 EKAARN Cc1cc(OCc2noc(-c3cccc(Cl)c3)n2)ccc1C(C)C ZINC000034907061 202280270 /nfs/dbraw/zinc/28/02/70/202280270.db2.gz HAZQOXPPUYHMBE-UHFFFAOYSA-N 0 0 342.826 5.401 50 0 EKAARN Cc1cc(OCc2noc(-c3c(F)cccc3F)n2)cc(C(C)C)c1 ZINC000034907099 202280406 /nfs/dbraw/zinc/28/04/06/202280406.db2.gz GWSZUQYFBFSQDW-UHFFFAOYSA-N 0 0 344.361 5.026 50 0 EKAARN Cc1cc(OCc2noc(-c3c(F)cccc3F)n2)ccc1C(C)C ZINC000034907100 563481799 /nfs/dbraw/zinc/48/17/99/563481799.db2.gz IXQIFZRQFMAKDP-UHFFFAOYSA-N 0 0 344.361 5.026 50 0 EKAARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1cccc(C)c1 ZINC000034907585 202280572 /nfs/dbraw/zinc/28/05/72/202280572.db2.gz KMWTYLZFHLFFIO-UHFFFAOYSA-N 0 0 347.462 5.039 50 0 EKAARN CCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907652 202280434 /nfs/dbraw/zinc/28/04/34/202280434.db2.gz YBDMAPVVIOYCGC-LJQANCHMSA-N 0 0 348.446 5.349 50 0 EKAARN CCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907653 563482109 /nfs/dbraw/zinc/48/21/09/563482109.db2.gz YBDMAPVVIOYCGC-IBGZPJMESA-N 0 0 348.446 5.349 50 0 EKAARN Cc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)C(C)C)nc2c1 ZINC000034907794 202279836 /nfs/dbraw/zinc/27/98/36/202279836.db2.gz FBMXACICTUQAPT-IBGZPJMESA-N 0 0 348.446 5.123 50 0 EKAARN Cc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)C(C)C)nc2c1 ZINC000034907795 212997228 /nfs/dbraw/zinc/99/72/28/212997228.db2.gz FBMXACICTUQAPT-LJQANCHMSA-N 0 0 348.446 5.123 50 0 EKAARN CCOc1cccc(-c2c(=O)c3ccccc3oc2-c2ccccc2)c1 ZINC000034909624 212997797 /nfs/dbraw/zinc/99/77/97/212997797.db2.gz UWUIMXWNSWUXAJ-UHFFFAOYSA-N 0 0 342.394 5.526 50 0 EKAARN O=c1c2ccccc2oc(-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000034909631 563482071 /nfs/dbraw/zinc/48/20/71/563482071.db2.gz LQLJTAMOIVZJJY-UHFFFAOYSA-N 0 0 332.786 5.780 50 0 EKAARN O=c1c2ccccc2oc(-c2ccccc2)c1-c1ccc2ccccc2c1 ZINC000034909640 563482039 /nfs/dbraw/zinc/48/20/39/563482039.db2.gz FDKNAINYSDEDND-UHFFFAOYSA-N 0 0 348.401 6.280 50 0 EKAARN Cc1cc(-c2c(=O)c3ccccc3oc2-c2ccccc2)ccc1F ZINC000034909643 202279806 /nfs/dbraw/zinc/27/98/06/202279806.db2.gz LCBAIXHIBOSGBN-UHFFFAOYSA-N 0 0 330.358 5.575 50 0 EKAARN Cc1cc(C)cc(-c2c(-c3ccccc3)oc3ccccc3c2=O)c1 ZINC000034909645 212997712 /nfs/dbraw/zinc/99/77/12/212997712.db2.gz IGNOYKQVGLDOCQ-UHFFFAOYSA-N 0 0 326.395 5.744 50 0 EKAARN Cc1ccc(-c2c(-c3ccccc3)oc3ccccc3c2=O)cc1C ZINC000034909649 202279974 /nfs/dbraw/zinc/27/99/74/202279974.db2.gz GTPFNOHBGKRXCS-UHFFFAOYSA-N 0 0 326.395 5.744 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000034910966 564120497 /nfs/dbraw/zinc/12/04/97/564120497.db2.gz JSGCDAKRIPGQSF-CMKMFDCUSA-N 0 0 348.273 5.220 50 0 EKAARN CCCCCC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912523 563484892 /nfs/dbraw/zinc/48/48/92/563484892.db2.gz ZHGGCXOFTRPVJO-UHFFFAOYSA-N 0 0 341.842 5.174 50 0 EKAARN CC(C)(C)CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912524 563484903 /nfs/dbraw/zinc/48/49/03/563484903.db2.gz QRIVSAPJGLFMNZ-UHFFFAOYSA-N 0 0 341.842 5.029 50 0 EKAARN CCCCC(=O)Nc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn21 ZINC000034912557 563484845 /nfs/dbraw/zinc/48/48/45/563484845.db2.gz GHHUOTYFGFFYDR-UHFFFAOYSA-N 0 0 341.842 5.092 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)CCC1CCCC1 ZINC000034912825 202281261 /nfs/dbraw/zinc/28/12/61/202281261.db2.gz RZXXTQZLAOXOTG-UHFFFAOYSA-N 0 0 347.462 5.219 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000034912843 563484926 /nfs/dbraw/zinc/48/49/26/563484926.db2.gz WPIVTHHBKUCUIT-UHFFFAOYSA-N 0 0 335.451 5.219 50 0 EKAARN Cc1ccc(-c2nc3ccccn3c2NC(=O)CCC2CCCC2)cc1 ZINC000034912848 563484883 /nfs/dbraw/zinc/48/48/83/563484883.db2.gz DHKQNKWMRKZHEQ-UHFFFAOYSA-N 0 0 347.462 5.219 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2cc(C)ccn21 ZINC000034912880 563484937 /nfs/dbraw/zinc/48/49/37/563484937.db2.gz LIGRHWHDXFAWRO-UHFFFAOYSA-N 0 0 349.478 5.527 50 0 EKAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)C2CCCCC2)cc1 ZINC000034912886 563484840 /nfs/dbraw/zinc/48/48/40/563484840.db2.gz DCURTDPUGXDEAG-UHFFFAOYSA-N 0 0 347.462 5.137 50 0 EKAARN CCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(C)cn21 ZINC000034912915 563485176 /nfs/dbraw/zinc/48/51/76/563485176.db2.gz XDDBXOKVORWMSV-UHFFFAOYSA-N 0 0 335.451 5.137 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(C)cn21 ZINC000034912917 202280911 /nfs/dbraw/zinc/28/09/11/202280911.db2.gz IPNJBJUSPSXGQP-UHFFFAOYSA-N 0 0 349.478 5.527 50 0 EKAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C2CCCCC2)cc1 ZINC000034912920 563485136 /nfs/dbraw/zinc/48/51/36/563485136.db2.gz NYXWVIQBVZPVKD-UHFFFAOYSA-N 0 0 347.462 5.137 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000034912944 563485153 /nfs/dbraw/zinc/48/51/53/563485153.db2.gz YXCOFEBHBBISGP-UHFFFAOYSA-N 0 0 339.414 5.049 50 0 EKAARN CCCCCCC(=O)Nc1c(Cc2ccccc2)nc2ccc(C)cn21 ZINC000034913133 202281228 /nfs/dbraw/zinc/28/12/28/202281228.db2.gz GRKRLBOLWVTNEM-UHFFFAOYSA-N 0 0 349.478 5.142 50 0 EKAARN CCCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2cc(C)ccn21 ZINC000034913184 563485035 /nfs/dbraw/zinc/48/50/35/563485035.db2.gz GRFACVVGOIWUGK-UHFFFAOYSA-N 0 0 341.842 5.092 50 0 EKAARN CCCCC(=O)Nc1c(-c2cccc(Cl)c2)nc2ccc(C)cn21 ZINC000034913226 212998358 /nfs/dbraw/zinc/99/83/58/212998358.db2.gz ONXJNXLOEHKGMI-UHFFFAOYSA-N 0 0 341.842 5.092 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2cccc(F)c2)nc2ccccn21 ZINC000034913252 563485019 /nfs/dbraw/zinc/48/50/19/563485019.db2.gz AHAWLVIJIBQANC-UHFFFAOYSA-N 0 0 339.414 5.049 50 0 EKAARN CCCCCC(=O)Nc1c(-c2ccccc2C)nc2cc(C)ccn21 ZINC000034913323 563485024 /nfs/dbraw/zinc/48/50/24/563485024.db2.gz XWCRVMQPPOXAFX-UHFFFAOYSA-N 0 0 335.451 5.137 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccccc2C)nc2cc(C)ccn21 ZINC000034913326 212999055 /nfs/dbraw/zinc/99/90/55/212999055.db2.gz NVZMIHQWFGRXAV-UHFFFAOYSA-N 0 0 349.478 5.527 50 0 EKAARN CCCCCC(=O)Nc1c(-c2ccccc2C)nc2ccc(C)cn21 ZINC000034913356 202281026 /nfs/dbraw/zinc/28/10/26/202281026.db2.gz NQDSHSDPZFLBCV-UHFFFAOYSA-N 0 0 335.451 5.137 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2ccccc2C)nc2ccc(C)cn21 ZINC000034913359 563485109 /nfs/dbraw/zinc/48/51/09/563485109.db2.gz LUIFQKFPQIRKTI-UHFFFAOYSA-N 0 0 349.478 5.527 50 0 EKAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)C3CCCCC3)n2c1 ZINC000034913361 202281386 /nfs/dbraw/zinc/28/13/86/202281386.db2.gz MYFLTOLARDCQLG-UHFFFAOYSA-N 0 0 347.462 5.137 50 0 EKAARN CCCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2ccccn21 ZINC000034915001 563484300 /nfs/dbraw/zinc/48/43/00/563484300.db2.gz YSCNZKLTIZPOSE-UHFFFAOYSA-N 0 0 335.451 5.137 50 0 EKAARN CCCCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2ccccn21 ZINC000034915004 212998058 /nfs/dbraw/zinc/99/80/58/212998058.db2.gz QXKNAGVXTOUFLS-UHFFFAOYSA-N 0 0 349.478 5.527 50 0 EKAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)C2CCCCC2)c1 ZINC000034915011 563484275 /nfs/dbraw/zinc/48/42/75/563484275.db2.gz UVABXCRCJGCWTA-UHFFFAOYSA-N 0 0 347.462 5.137 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)CC(C)(C)C ZINC000034915051 563484288 /nfs/dbraw/zinc/48/42/88/563484288.db2.gz ZWWYADPWBVKFJT-UHFFFAOYSA-N 0 0 349.478 5.301 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)C1CCCC1 ZINC000034915062 202280761 /nfs/dbraw/zinc/28/07/61/202280761.db2.gz BBJQODBERSISJV-UHFFFAOYSA-N 0 0 347.462 5.055 50 0 EKAARN CCCCC(=O)Nc1c(-c2cc(C)cc(C)c2)nc2cc(C)ccn21 ZINC000034915069 563484208 /nfs/dbraw/zinc/48/42/08/563484208.db2.gz CLCOKBFBUJUOAQ-UHFFFAOYSA-N 0 0 335.451 5.055 50 0 EKAARN COc1cc(/C=C/c2ccc(O)cc2)ccc1/C=C/c1ccc(O)cc1 ZINC000034946459 213002387 /nfs/dbraw/zinc/00/23/87/213002387.db2.gz FGYNZFHVGOFCMD-KHVHPYDTSA-N 0 0 344.410 5.447 50 0 in-vitro EKAARN O=C(/C=C\c1ccccc1)Nc1ccccc1Oc1ccccc1F ZINC000035079183 213006877 /nfs/dbraw/zinc/00/68/77/213006877.db2.gz KZSRXLSINHKRLZ-PFONDFGASA-N 0 0 333.362 5.270 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccccc2Br)cc1Cl ZINC000035121106 213009839 /nfs/dbraw/zinc/00/98/39/213009839.db2.gz CZEYEUBPJFSISS-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1cc2nc(/C=C\c3cccc(C(F)(F)F)c3)sc2cc1C ZINC000035126155 213009060 /nfs/dbraw/zinc/00/90/60/213009060.db2.gz XOEKMMUIWVCBGS-SREVYHEPSA-N 0 0 333.378 6.102 50 0 EKAARN Cc1ccc(F)c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)c1 ZINC000035147272 213010763 /nfs/dbraw/zinc/01/07/63/213010763.db2.gz RGIIDSULNCDYSO-CYVLTUHYSA-N 0 0 331.390 5.313 50 0 EKAARN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000035170249 213012061 /nfs/dbraw/zinc/01/20/61/213012061.db2.gz HZJRRCMQPKSHRC-GNTOHDJUSA-N 0 0 348.273 5.220 50 0 EKAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000035170250 213012049 /nfs/dbraw/zinc/01/20/49/213012049.db2.gz HZJRRCMQPKSHRC-CMKMFDCUSA-N 0 0 348.273 5.220 50 0 EKAARN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000035170251 213011769 /nfs/dbraw/zinc/01/17/69/213011769.db2.gz HZJRRCMQPKSHRC-BMEPFDOTSA-N 0 0 348.273 5.220 50 0 EKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)c(C)c1 ZINC000035181199 213013506 /nfs/dbraw/zinc/01/35/06/213013506.db2.gz WMMSODYPXRCIAA-QFIPXVFZSA-N 0 0 346.474 5.180 50 0 EKAARN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)c(C)c1 ZINC000035181201 213013395 /nfs/dbraw/zinc/01/33/95/213013395.db2.gz WMMSODYPXRCIAA-JOCHJYFZSA-N 0 0 346.474 5.180 50 0 EKAARN CSc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000035240609 213015541 /nfs/dbraw/zinc/01/55/41/213015541.db2.gz CAJCICMKSJUBBP-JYRVWZFOSA-N 0 0 333.481 6.342 50 0 EKAARN COc1ccc(-c2csc(/C=C\c3cccs3)n2)cc1OC ZINC000035253409 213015745 /nfs/dbraw/zinc/01/57/45/213015745.db2.gz LKHPLQUZVRNQQL-VURMDHGXSA-N 0 0 329.446 5.059 50 0 EKAARN Fc1ccc(COc2ccc(CNc3nccs3)cc2)c(Cl)c1 ZINC000035287251 213018136 /nfs/dbraw/zinc/01/81/36/213018136.db2.gz OKDXVCQFWHUGGI-UHFFFAOYSA-N 0 0 348.830 5.127 50 0 EKAARN C[C@H](N[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288749 202294282 /nfs/dbraw/zinc/29/42/82/202294282.db2.gz YDKPHNVMKDQZSQ-BTYIYWSLSA-N 0 0 344.414 5.036 50 0 EKAARN C[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288751 213018418 /nfs/dbraw/zinc/01/84/18/213018418.db2.gz YDKPHNVMKDQZSQ-VFNWGFHPSA-N 0 0 344.414 5.036 50 0 EKAARN C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288752 213018086 /nfs/dbraw/zinc/01/80/86/213018086.db2.gz YDKPHNVMKDQZSQ-YCRPNKLZSA-N 0 0 344.414 5.036 50 0 EKAARN C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288754 213018302 /nfs/dbraw/zinc/01/83/02/213018302.db2.gz YDKPHNVMKDQZSQ-QVKFZJNVSA-N 0 0 344.414 5.036 50 0 EKAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000035360509 563919403 /nfs/dbraw/zinc/91/94/03/563919403.db2.gz CXVIDGGMNLBIKW-JCGIZDLHSA-N 0 0 344.252 5.002 50 0 EKAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000035360511 563919486 /nfs/dbraw/zinc/91/94/86/563919486.db2.gz CXVIDGGMNLBIKW-FHLIZLRMSA-N 0 0 344.252 5.002 50 0 EKAARN C(=C\c1cccc(OCc2ccccc2)c1)\c1nc2ccccc2s1 ZINC000035385178 213024588 /nfs/dbraw/zinc/02/45/88/213024588.db2.gz HNOKKTJUUIHYHB-YPKPFQOOSA-N 0 0 343.451 6.046 50 0 EKAARN C(=C\c1ccc2c(c1)OCO2)\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000035385182 202300629 /nfs/dbraw/zinc/30/06/29/202300629.db2.gz SDZCZESCQKUWHR-XFFZJAGNSA-N 0 0 341.366 5.394 50 0 EKAARN Fc1ccccc1-c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000035448979 213029256 /nfs/dbraw/zinc/02/92/56/213029256.db2.gz FJSQECBMJXMBCF-UHFFFAOYSA-N 0 0 348.381 5.008 50 0 EKAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1 ZINC000035448983 213028421 /nfs/dbraw/zinc/02/84/21/213028421.db2.gz CMZFWOJWIMWQPD-UHFFFAOYSA-N 0 0 344.418 5.177 50 0 EKAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035476473 213031195 /nfs/dbraw/zinc/03/11/95/213031195.db2.gz TVKCVMSSBZSVLD-GOSISDBHSA-N 0 0 328.843 5.271 50 0 EKAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035476474 213031565 /nfs/dbraw/zinc/03/15/65/213031565.db2.gz TVKCVMSSBZSVLD-SFHVURJKSA-N 0 0 328.843 5.271 50 0 EKAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1C ZINC000035476475 213031271 /nfs/dbraw/zinc/03/12/71/213031271.db2.gz NGGJLSLTVZYXKY-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1C ZINC000035476476 202305255 /nfs/dbraw/zinc/30/52/55/202305255.db2.gz NGGJLSLTVZYXKY-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000035476477 213031660 /nfs/dbraw/zinc/03/16/60/213031660.db2.gz ZDFPRYHUMIRDKG-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C ZINC000035476478 202304664 /nfs/dbraw/zinc/30/46/64/202304664.db2.gz ZDFPRYHUMIRDKG-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000035476479 213030932 /nfs/dbraw/zinc/03/09/32/213030932.db2.gz KSESSWZXMFGHQL-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000035476480 213031337 /nfs/dbraw/zinc/03/13/37/213031337.db2.gz KSESSWZXMFGHQL-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000035476481 213031426 /nfs/dbraw/zinc/03/14/26/213031426.db2.gz BCJFRESCLMGBEF-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cc(C)cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000035476482 213031227 /nfs/dbraw/zinc/03/12/27/213031227.db2.gz BCJFRESCLMGBEF-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(C3CCCC3)n2)c1 ZINC000035481904 213031911 /nfs/dbraw/zinc/03/19/11/213031911.db2.gz RIKKFHJJCZHTHV-UHFFFAOYSA-N 0 0 348.406 5.038 50 0 EKAARN Cc1ccccc1-c1noc(-c2cc(-c3ccc(C(C)C)cc3)[nH]n2)n1 ZINC000035504134 213033360 /nfs/dbraw/zinc/03/33/60/213033360.db2.gz BUCDEHDSZWDFDN-UHFFFAOYSA-N 0 0 344.418 5.226 50 0 EKAARN Cc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)[nH]n3)n2)cc1 ZINC000035504137 213034003 /nfs/dbraw/zinc/03/40/03/213034003.db2.gz VZLFIKLUCXQVTC-UHFFFAOYSA-N 0 0 344.418 5.226 50 0 EKAARN Cc1nc(C)c(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)s1 ZINC000035512508 213035507 /nfs/dbraw/zinc/03/55/07/213035507.db2.gz NYJJPXYDTZVXMW-UHFFFAOYSA-N 0 0 349.415 5.269 50 0 EKAARN Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 ZINC000035514661 213035328 /nfs/dbraw/zinc/03/53/28/213035328.db2.gz RQWPMDLHSHDUAA-UHFFFAOYSA-N 0 0 344.458 5.110 50 0 EKAARN CCOc1ccc(-c2nc(-c3oc4ccc(C)cc4c3C)no2)cc1 ZINC000035527546 202305450 /nfs/dbraw/zinc/30/54/50/202305450.db2.gz WDRMINZSQWUNEW-UHFFFAOYSA-N 0 0 334.375 5.165 50 0 EKAARN c1ccc(-c2nnc(-c3cccnc3NCCC3=CCCCC3)o2)cc1 ZINC000035527933 202306411 /nfs/dbraw/zinc/30/64/11/202306411.db2.gz FOHLMYCLXJNBGI-UHFFFAOYSA-N 0 0 346.434 5.101 50 0 EKAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035536103 213036842 /nfs/dbraw/zinc/03/68/42/213036842.db2.gz PQLGGTMPKUQWRJ-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000035536257 213036792 /nfs/dbraw/zinc/03/67/92/213036792.db2.gz OYHXDJIJOXAFNI-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cccc(C)c1C ZINC000035536273 213036468 /nfs/dbraw/zinc/03/64/68/213036468.db2.gz BMZXBRYUKOXIFF-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN CCc1ccccc1NC(=O)c1c(C)onc1-c1cccc(Cl)c1 ZINC000035536277 213035936 /nfs/dbraw/zinc/03/59/36/213035936.db2.gz OPZFOXCICVXPFF-UHFFFAOYSA-N 0 0 340.810 5.118 50 0 EKAARN CCc1ccc(NC(=O)c2c(C)onc2-c2cccc(Cl)c2)cc1 ZINC000035536279 213036214 /nfs/dbraw/zinc/03/62/14/213036214.db2.gz XRFYDCURDSACSM-UHFFFAOYSA-N 0 0 340.810 5.118 50 0 EKAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(C)ccc1C ZINC000035536298 213035993 /nfs/dbraw/zinc/03/59/93/213035993.db2.gz XXJTVNWLGSULGK-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(Cl)cc1C ZINC000035536488 213036853 /nfs/dbraw/zinc/03/68/53/213036853.db2.gz ZLZCXNQLIDOENA-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cc(Cl)ccc1C ZINC000035536490 213036801 /nfs/dbraw/zinc/03/68/01/213036801.db2.gz LAHAEOAVSHLQNF-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cccc(Cl)c1C ZINC000035536522 202305521 /nfs/dbraw/zinc/30/55/21/202305521.db2.gz MQVIUNVFVYSARR-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035536524 213036357 /nfs/dbraw/zinc/03/63/57/213036357.db2.gz BIGDQBIQURIGCY-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C)cc1Cl ZINC000035536534 202306201 /nfs/dbraw/zinc/30/62/01/202306201.db2.gz BEFXODTYINWWST-UHFFFAOYSA-N 0 0 344.773 5.003 50 0 EKAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000035536562 202305838 /nfs/dbraw/zinc/30/58/38/202305838.db2.gz CUMNKNZIJFMIBJ-UHFFFAOYSA-N 0 0 338.382 5.165 50 0 EKAARN O=C(NC1CCCCC1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561605 213037737 /nfs/dbraw/zinc/03/77/37/213037737.db2.gz AFQRVDMJRUZJNF-SFHVURJKSA-N 0 0 334.891 5.299 50 0 EKAARN O=C(NC1CCCCC1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561606 213037798 /nfs/dbraw/zinc/03/77/98/213037798.db2.gz AFQRVDMJRUZJNF-GOSISDBHSA-N 0 0 334.891 5.299 50 0 EKAARN O=C(NC1CCCCC1)N1CCCCC[C@H]1c1ccccc1Cl ZINC000035561607 213037776 /nfs/dbraw/zinc/03/77/76/213037776.db2.gz PPDFKGFDVMLWII-SFHVURJKSA-N 0 0 334.891 5.299 50 0 EKAARN O=C(NC1CCCCC1)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561608 213037804 /nfs/dbraw/zinc/03/78/04/213037804.db2.gz PPDFKGFDVMLWII-GOSISDBHSA-N 0 0 334.891 5.299 50 0 EKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561615 213038038 /nfs/dbraw/zinc/03/80/38/213038038.db2.gz FQZDITVAANFHCC-GOSISDBHSA-N 0 0 328.843 5.489 50 0 EKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1c1ccccc1Cl ZINC000035561616 202307115 /nfs/dbraw/zinc/30/71/15/202307115.db2.gz FQZDITVAANFHCC-SFHVURJKSA-N 0 0 328.843 5.489 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1 ZINC000035561619 213037575 /nfs/dbraw/zinc/03/75/75/213037575.db2.gz HRFDAIYJPMDLHQ-FQEVSTJZSA-N 0 0 338.451 5.153 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1 ZINC000035561620 213038118 /nfs/dbraw/zinc/03/81/18/213038118.db2.gz HRFDAIYJPMDLHQ-HXUWFJFHSA-N 0 0 338.451 5.153 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000035561621 213038941 /nfs/dbraw/zinc/03/89/41/213038941.db2.gz QACYHTMMKKEGRM-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)c1 ZINC000035561622 213039397 /nfs/dbraw/zinc/03/93/97/213039397.db2.gz QACYHTMMKKEGRM-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000035561625 202306785 /nfs/dbraw/zinc/30/67/85/202306785.db2.gz CDJLGCFSRVGPFN-HXUWFJFHSA-N 0 0 340.442 5.537 50 0 EKAARN CCc1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000035561626 202307367 /nfs/dbraw/zinc/30/73/67/202307367.db2.gz CDJLGCFSRVGPFN-FQEVSTJZSA-N 0 0 340.442 5.537 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000035561627 213038678 /nfs/dbraw/zinc/03/86/78/213038678.db2.gz QQGLSRLOPPQCIU-SFHVURJKSA-N 0 0 346.833 5.628 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000035561628 202307085 /nfs/dbraw/zinc/30/70/85/202307085.db2.gz QQGLSRLOPPQCIU-GOSISDBHSA-N 0 0 346.833 5.628 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1C ZINC000035561629 202307493 /nfs/dbraw/zinc/30/74/93/202307493.db2.gz JVORQYIQTYPIGN-HXUWFJFHSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1C ZINC000035561630 213039269 /nfs/dbraw/zinc/03/92/69/213039269.db2.gz JVORQYIQTYPIGN-FQEVSTJZSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1C ZINC000035561631 213038766 /nfs/dbraw/zinc/03/87/66/213038766.db2.gz RIHVUTPBJJGHEC-HXUWFJFHSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)cc1C ZINC000035561632 213038784 /nfs/dbraw/zinc/03/87/84/213038784.db2.gz RIHVUTPBJJGHEC-FQEVSTJZSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc(C)c(NC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 ZINC000035561633 213039036 /nfs/dbraw/zinc/03/90/36/213039036.db2.gz AEQHEJCWLYUNFT-HXUWFJFHSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc(C)c(NC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 ZINC000035561634 213039248 /nfs/dbraw/zinc/03/92/48/213039248.db2.gz AEQHEJCWLYUNFT-FQEVSTJZSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035561655 213038869 /nfs/dbraw/zinc/03/88/69/213038869.db2.gz FWYNAGTUTIYJGR-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035561656 202307516 /nfs/dbraw/zinc/30/75/16/202307516.db2.gz FWYNAGTUTIYJGR-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1 ZINC000035561657 213038559 /nfs/dbraw/zinc/03/85/59/213038559.db2.gz WJMVPQRDHRDLFE-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1 ZINC000035561658 213038453 /nfs/dbraw/zinc/03/84/53/213038453.db2.gz WJMVPQRDHRDLFE-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561661 202307123 /nfs/dbraw/zinc/30/71/23/202307123.db2.gz UTVCXDHNXGGAHG-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccccc1Cl ZINC000035561662 213039208 /nfs/dbraw/zinc/03/92/08/213039208.db2.gz UTVCXDHNXGGAHG-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN COc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000035561675 213039045 /nfs/dbraw/zinc/03/90/45/213039045.db2.gz NZRPKZPPVTVHMQ-IBGZPJMESA-N 0 0 338.451 5.153 50 0 EKAARN COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000035561676 213039121 /nfs/dbraw/zinc/03/91/21/213039121.db2.gz NZRPKZPPVTVHMQ-LJQANCHMSA-N 0 0 338.451 5.153 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2Cl)c1 ZINC000035561689 213038565 /nfs/dbraw/zinc/03/85/65/213038565.db2.gz PFCRKAOZGAPZDM-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccccc2Cl)c1 ZINC000035561690 213038697 /nfs/dbraw/zinc/03/86/97/213038697.db2.gz PFCRKAOZGAPZDM-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000035561693 213038902 /nfs/dbraw/zinc/03/89/02/213038902.db2.gz HHOWJYFFCCIPRX-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1 ZINC000035561694 213038845 /nfs/dbraw/zinc/03/88/45/213038845.db2.gz HHOWJYFFCCIPRX-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2Cl)c1 ZINC000035561695 202307330 /nfs/dbraw/zinc/30/73/30/202307330.db2.gz DQGAGUUCZBZQHW-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)c1 ZINC000035561696 213038663 /nfs/dbraw/zinc/03/86/63/213038663.db2.gz DQGAGUUCZBZQHW-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN O=C(NCc1ccccc1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561707 213038730 /nfs/dbraw/zinc/03/87/30/213038730.db2.gz JCODMMCYPYEGQU-LJQANCHMSA-N 0 0 342.870 5.167 50 0 EKAARN O=C(NCc1ccccc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561708 213039069 /nfs/dbraw/zinc/03/90/69/213039069.db2.gz JCODMMCYPYEGQU-IBGZPJMESA-N 0 0 342.870 5.167 50 0 EKAARN O=C(NCc1ccccc1)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000035561709 213038693 /nfs/dbraw/zinc/03/86/93/213038693.db2.gz QQSWZIXRFZLVJQ-LJQANCHMSA-N 0 0 342.870 5.167 50 0 EKAARN O=C(NCc1ccccc1)N1CCCCC[C@H]1c1ccccc1Cl ZINC000035561710 213038935 /nfs/dbraw/zinc/03/89/35/213038935.db2.gz QQSWZIXRFZLVJQ-IBGZPJMESA-N 0 0 342.870 5.167 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000035561743 202307319 /nfs/dbraw/zinc/30/73/19/202307319.db2.gz GOLHJKXTKHJYEH-FQEVSTJZSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000035561744 213039103 /nfs/dbraw/zinc/03/91/03/213039103.db2.gz GOLHJKXTKHJYEH-HXUWFJFHSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000035561745 202306824 /nfs/dbraw/zinc/30/68/24/202306824.db2.gz PJKOHKCSKKVFSY-FQEVSTJZSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000035561746 213038988 /nfs/dbraw/zinc/03/89/88/213038988.db2.gz PJKOHKCSKKVFSY-HXUWFJFHSA-N 0 0 340.442 5.592 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000035561785 213039048 /nfs/dbraw/zinc/03/90/48/213039048.db2.gz VLBVIIVOQUSDMK-IBGZPJMESA-N 0 0 344.405 5.422 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000035561786 202306863 /nfs/dbraw/zinc/30/68/63/202306863.db2.gz VLBVIIVOQUSDMK-LJQANCHMSA-N 0 0 344.405 5.422 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000035561787 213039329 /nfs/dbraw/zinc/03/93/29/213039329.db2.gz ZTZBAGAEAAVAGW-IBGZPJMESA-N 0 0 344.405 5.422 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc(F)cc2F)c1 ZINC000035561788 213039093 /nfs/dbraw/zinc/03/90/93/213039093.db2.gz ZTZBAGAEAAVAGW-LJQANCHMSA-N 0 0 344.405 5.422 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)cc1 ZINC000035561841 202307098 /nfs/dbraw/zinc/30/70/98/202307098.db2.gz PRUFFFKPXRSAPQ-IBGZPJMESA-N 0 0 326.415 5.283 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)cc1 ZINC000035561842 213039089 /nfs/dbraw/zinc/03/90/89/213039089.db2.gz PRUFFFKPXRSAPQ-LJQANCHMSA-N 0 0 326.415 5.283 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cccc(F)c2)c1 ZINC000035561843 213039547 /nfs/dbraw/zinc/03/95/47/213039547.db2.gz ASZZVASAIXTTLV-IBGZPJMESA-N 0 0 326.415 5.283 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cccc(F)c2)c1 ZINC000035561844 213039326 /nfs/dbraw/zinc/03/93/26/213039326.db2.gz ASZZVASAIXTTLV-LJQANCHMSA-N 0 0 326.415 5.283 50 0 EKAARN O=C(Nc1cccc(F)c1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000035561845 213039050 /nfs/dbraw/zinc/03/90/50/213039050.db2.gz PICCPSOHJONNLG-GOSISDBHSA-N 0 0 346.833 5.628 50 0 EKAARN O=C(Nc1cccc(F)c1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000035561846 213039062 /nfs/dbraw/zinc/03/90/62/213039062.db2.gz PICCPSOHJONNLG-SFHVURJKSA-N 0 0 346.833 5.628 50 0 EKAARN c1sc(Nc2ccccc2)nc1CSc1nc2ccccc2o1 ZINC000035567945 213039222 /nfs/dbraw/zinc/03/92/22/213039222.db2.gz ZNBBWGYBVQXJRL-UHFFFAOYSA-N 0 0 339.445 5.320 50 0 EKAARN CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)cc1 ZINC000035606478 213041639 /nfs/dbraw/zinc/04/16/39/213041639.db2.gz WXUQTPIHFDJEKS-UHFFFAOYSA-N 0 0 343.430 5.574 50 0 EKAARN CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000035606544 564129170 /nfs/dbraw/zinc/12/91/70/564129170.db2.gz BPQPAJISOBDOTJ-UHFFFAOYSA-N 0 0 343.430 5.321 50 0 EKAARN Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc1 ZINC000035615775 213042243 /nfs/dbraw/zinc/04/22/43/213042243.db2.gz RUXVTZVYYMGRPG-UHFFFAOYSA-N 0 0 335.794 5.104 50 0 EKAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n32)c(C)c1 ZINC000035615782 213042654 /nfs/dbraw/zinc/04/26/54/213042654.db2.gz MRAFIKLQLIKLGL-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN COc1ccccc1Nc1c(-c2cccs2)nc2cc(C)ccn21 ZINC000035616051 213043026 /nfs/dbraw/zinc/04/30/26/213043026.db2.gz WZAGZWVMTBGJTM-UHFFFAOYSA-N 0 0 335.432 5.123 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2Nc1cccc(Cl)c1 ZINC000035616060 213042328 /nfs/dbraw/zinc/04/23/28/213042328.db2.gz XRDDJNLCESOHQK-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN COc1ccccc1Nc1c(-c2cccs2)nc2ccc(C)cn21 ZINC000035616079 213042383 /nfs/dbraw/zinc/04/23/83/213042383.db2.gz IXCHYQOEGNXYAR-UHFFFAOYSA-N 0 0 335.432 5.123 50 0 EKAARN COc1ccccc1Nc1c(-c2cccs2)nc2cccc(C)n21 ZINC000035616087 213042435 /nfs/dbraw/zinc/04/24/35/213042435.db2.gz DFJPGIJRIRPBTQ-UHFFFAOYSA-N 0 0 335.432 5.123 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccccc1O)c2Nc1cccc(Cl)c1 ZINC000035616121 213043003 /nfs/dbraw/zinc/04/30/03/213043003.db2.gz AJVGCHRNDYRCAB-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Oc1ccccc1-c1nc2ccccn2c1Nc1cccc(Cl)c1 ZINC000035616136 213043083 /nfs/dbraw/zinc/04/30/83/213043083.db2.gz KJXRVGVHYJKJLF-UHFFFAOYSA-N 0 0 335.794 5.104 50 0 EKAARN Cc1ccc2nc(-c3ccccc3O)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616141 213043108 /nfs/dbraw/zinc/04/31/08/213043108.db2.gz UFNGPPQQEJSDMX-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1ccc2nc(-c3cccs3)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616178 564129197 /nfs/dbraw/zinc/12/91/97/564129197.db2.gz MPMPRSVIKWRYBE-UHFFFAOYSA-N 0 0 339.851 5.768 50 0 EKAARN Cc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1 ZINC000035616185 213042894 /nfs/dbraw/zinc/04/28/94/213042894.db2.gz HVKFWUMLTUKDEW-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Oc1ccc(-c2nc3ccccn3c2Nc2cccc(Cl)c2)cc1 ZINC000035616206 202307353 /nfs/dbraw/zinc/30/73/53/202307353.db2.gz PWGSDWSOUZVATF-UHFFFAOYSA-N 0 0 335.794 5.104 50 0 EKAARN Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616209 202307275 /nfs/dbraw/zinc/30/72/75/202307275.db2.gz CDLDUCBCABNVEN-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n21 ZINC000035616232 213042440 /nfs/dbraw/zinc/04/24/40/213042440.db2.gz IMDAMLUVWBUCJQ-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)nc2ccccn21 ZINC000035616266 213042484 /nfs/dbraw/zinc/04/24/84/213042484.db2.gz WIMWAFUGEHNWOL-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2Nc1cc(C)cc(C)c1 ZINC000035616274 202306975 /nfs/dbraw/zinc/30/69/75/202306975.db2.gz XNQQNROORDHCOW-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n32)c1 ZINC000035616276 213043235 /nfs/dbraw/zinc/04/32/35/213043235.db2.gz QLCRMOCRVGNBHR-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn32)c1 ZINC000035616278 213042206 /nfs/dbraw/zinc/04/22/06/213042206.db2.gz UYBOSSUCOSQJBG-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3ccccn32)c1 ZINC000035616281 213042467 /nfs/dbraw/zinc/04/24/67/213042467.db2.gz WBDZVGVSNATZMV-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3ccccc3O)nc3ccc(C)cn32)c1 ZINC000035616291 213042699 /nfs/dbraw/zinc/04/26/99/213042699.db2.gz LKMWDKPMNKEVCG-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)nc3cccc(C)n32)c1 ZINC000035616292 213042460 /nfs/dbraw/zinc/04/24/60/213042460.db2.gz ZIVCALFTZJZVKZ-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1c(Cl)cccc1Nc1c(-c2ccccc2O)nc2ccccn21 ZINC000035616296 213042574 /nfs/dbraw/zinc/04/25/74/213042574.db2.gz LCTRPAKWAJIOMD-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)c1 ZINC000035616302 213042824 /nfs/dbraw/zinc/04/28/24/213042824.db2.gz QTKIENWKQBISSQ-UHFFFAOYSA-N 0 0 329.403 5.067 50 0 EKAARN Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2Nc1cc(C)cc(C)c1 ZINC000035616304 213042991 /nfs/dbraw/zinc/04/29/91/213042991.db2.gz YBAVZGSFSMHFMV-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1ccc2nc(-c3cccc(O)c3)c(Nc3cccc(C)c3C)n2c1 ZINC000035616313 213042627 /nfs/dbraw/zinc/04/26/27/213042627.db2.gz HCWUOAVMHPSKQY-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn32)cc1Cl ZINC000035616315 202306894 /nfs/dbraw/zinc/30/68/94/202306894.db2.gz YNBQGNNJUSDARO-UHFFFAOYSA-N 0 0 349.821 5.412 50 0 EKAARN Cc1ccn2c(c1)nc(-c1ccccc1O)c2Nc1cc(C)cc(C)c1 ZINC000035616356 213042406 /nfs/dbraw/zinc/04/24/06/213042406.db2.gz YNUOZSICNQFUPW-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)cc1Cl 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Cc1ccn2c(c1)nc(-c1cccc(O)c1)c2Nc1cccc(C)c1C ZINC000035622056 213042366 /nfs/dbraw/zinc/04/23/66/213042366.db2.gz HAYONIKZCQNCQQ-UHFFFAOYSA-N 0 0 343.430 5.376 50 0 EKAARN Cc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2C)cc1 ZINC000035622628 202306736 /nfs/dbraw/zinc/30/67/36/202306736.db2.gz XHYWDADMAJWMGC-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c(C)c1 ZINC000035622650 202307018 /nfs/dbraw/zinc/30/70/18/202307018.db2.gz NDRFXGBWUCMAKQ-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN CCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2sccn21 ZINC000035622681 213042542 /nfs/dbraw/zinc/04/25/42/213042542.db2.gz OYPDSMFEQPAYQM-UHFFFAOYSA-N 0 0 349.459 5.383 50 0 EKAARN COc1ccc(-c2nc3sccn3c2Nc2ccccc2C)cc1 ZINC000035622684 213042473 /nfs/dbraw/zinc/04/24/73/213042473.db2.gz KZCKBKGJYQGYNT-UHFFFAOYSA-N 0 0 335.432 5.123 50 0 EKAARN Cc1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1C ZINC000035622702 213043178 /nfs/dbraw/zinc/04/31/78/213043178.db2.gz HRBSWVYERNONCI-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 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C/C=C/Cn1c(C(=O)N[C@@H](C)c2ccccc2)cc2sc(C)cc21 ZINC000037526496 202345574 /nfs/dbraw/zinc/34/55/74/202345574.db2.gz CLVKWLUQOGTAQH-RGDDUWESSA-N 0 0 338.476 5.078 50 0 EKAARN C/C=C/Cn1c(C(=O)N[C@H](C)c2ccccc2)cc2sc(C)cc21 ZINC000037526497 213154044 /nfs/dbraw/zinc/15/40/44/213154044.db2.gz CLVKWLUQOGTAQH-MBVDDHJVSA-N 0 0 338.476 5.078 50 0 EKAARN Cc1ccc(COc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1 ZINC000037547662 213155861 /nfs/dbraw/zinc/15/58/61/213155861.db2.gz VEZXLERXOKHVMU-UHFFFAOYSA-N 0 0 348.427 5.353 50 0 EKAARN Cc1ccc(COc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000037553292 213155363 /nfs/dbraw/zinc/15/53/63/213155363.db2.gz QTAZSHKFCPRICS-UHFFFAOYSA-N 0 0 334.419 5.282 50 0 EKAARN Cc1ccccc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000037553314 202346383 /nfs/dbraw/zinc/34/63/83/202346383.db2.gz WMJRSECVFWZYTR-UHFFFAOYSA-N 0 0 342.398 5.291 50 0 EKAARN Cc1ccccc1COc1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000037553477 213155002 /nfs/dbraw/zinc/15/50/02/213155002.db2.gz HOMKMQPNWMGCJU-UHFFFAOYSA-N 0 0 334.419 5.282 50 0 EKAARN Clc1ccc(-c2cncc(COc3ccccc3Cl)c2)cc1 ZINC000037553691 213155735 /nfs/dbraw/zinc/15/57/35/213155735.db2.gz CXVUIISNMJTKRQ-UHFFFAOYSA-N 0 0 330.214 5.634 50 0 EKAARN Cc1cccc(OCc2cncc(-c3cc4ccccc4s3)c2)c1C ZINC000037553733 213155673 /nfs/dbraw/zinc/15/56/73/213155673.db2.gz WPBBIVFWTUYHOI-UHFFFAOYSA-N 0 0 345.467 6.159 50 0 EKAARN Fc1ccc(OCc2cncc(-c3ccc4ccccc4c3)c2)c(F)c1 ZINC000037553825 213155747 /nfs/dbraw/zinc/15/57/47/213155747.db2.gz ANILOEJMKOILBS-UHFFFAOYSA-N 0 0 347.364 5.759 50 0 EKAARN COc1ccccc1OCc1cncc(-c2cc3ccccc3s2)c1 ZINC000037553867 213156564 /nfs/dbraw/zinc/15/65/64/213156564.db2.gz QOSYIXMWDYYRHX-UHFFFAOYSA-N 0 0 347.439 5.551 50 0 EKAARN Fc1ccc(OCc2cncc(-c3ccc(Cl)cc3)c2)c(F)c1 ZINC000037554166 213156639 /nfs/dbraw/zinc/15/66/39/213156639.db2.gz XDANDYGQNXOGHA-UHFFFAOYSA-N 0 0 331.749 5.259 50 0 EKAARN CCc1cccc(OCc2cncc(-c3cc(F)cc(F)c3)c2)c1 ZINC000037554169 202346149 /nfs/dbraw/zinc/34/61/49/202346149.db2.gz UEVFSPBNEOBKNS-UHFFFAOYSA-N 0 0 325.358 5.168 50 0 EKAARN Fc1ccccc1OCc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037554200 213156159 /nfs/dbraw/zinc/15/61/59/213156159.db2.gz GMLSWUUBQNHVMI-UHFFFAOYSA-N 0 0 347.311 5.486 50 0 EKAARN COC(=O)CCCCCCCCCCCCCCCCC(=O)OC ZINC000037625037 213161189 /nfs/dbraw/zinc/16/11/89/213161189.db2.gz ZOXMHKCFDXHCJX-UHFFFAOYSA-N 0 0 342.520 5.574 50 0 EKAARN CCCCCCNc1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000037868632 213172019 /nfs/dbraw/zinc/17/20/19/213172019.db2.gz MTQBZIOYHFTGME-JLHYYAGUSA-N 0 0 330.475 6.397 50 0 EKAARN C(=C1\C=Cc2ccccc21)\c1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000038142986 213201893 /nfs/dbraw/zinc/20/18/93/213201893.db2.gz WTNQAYAPMKTSFL-QFFDILLMSA-N 0 0 330.430 6.821 50 0 EKAARN O=C1NC(=S)SC1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000038172446 202129812 /nfs/dbraw/zinc/12/98/12/202129812.db2.gz HGGBOQNUNSXPOZ-XNTDXEJSSA-N 0 0 336.441 5.164 50 0 EKAARN C(=C\c1ccccc1)\CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000038183737 213204956 /nfs/dbraw/zinc/20/49/56/213204956.db2.gz GDNSGPTYUHYRJH-TWGQIWQCSA-N 0 0 333.416 5.023 50 0 EKAARN C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000038201047 564129223 /nfs/dbraw/zinc/12/92/23/564129223.db2.gz SKSOMRHTXHIGIB-UCKGLPGESA-N 0 0 342.523 5.827 50 0 EKAARN C/C=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000038201049 564129213 /nfs/dbraw/zinc/12/92/13/564129213.db2.gz SKSOMRHTXHIGIB-IJFRIWESSA-N 0 0 342.523 5.827 50 0 EKAARN Fc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000038329985 213207323 /nfs/dbraw/zinc/20/73/23/213207323.db2.gz WXCOMGNRDCUQKD-UHFFFAOYSA-N 0 0 334.213 5.379 50 0 EKAARN CC(C)(C)P(c1cc2ccccc2n1-c1ccccc1)C(C)(C)C ZINC000038330137 213207253 /nfs/dbraw/zinc/20/72/53/213207253.db2.gz HDZRDZCQFYUOHE-UHFFFAOYSA-N 0 0 337.447 6.335 50 0 EKAARN Cc1ccccc1-c1cc2c(SCc3cccc(F)c3)nccn2n1 ZINC000038486433 213209816 /nfs/dbraw/zinc/20/98/16/213209816.db2.gz UPZSGOUHWJRNIE-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(Cl)ccc2n1 ZINC000038486599 213209873 /nfs/dbraw/zinc/20/98/73/213209873.db2.gz ABOPJCDNEGINET-UHFFFAOYSA-N 0 0 340.810 5.035 50 0 EKAARN COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2cc(Cl)ccc2n1 ZINC000038486600 563994843 /nfs/dbraw/zinc/99/48/43/563994843.db2.gz NVYQNKLMNAYFJJ-UHFFFAOYSA-N 0 0 340.810 5.035 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cc(C)ccc2n1 ZINC000038486805 213210178 /nfs/dbraw/zinc/21/01/78/213210178.db2.gz GFBHYRQSOWOSOT-UHFFFAOYSA-N 0 0 340.810 5.035 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cc(C)ccc2n1 ZINC000038486806 564164900 /nfs/dbraw/zinc/16/49/00/564164900.db2.gz HARKPVOAEQZTSZ-UHFFFAOYSA-N 0 0 334.419 5.197 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cccc(F)c2n1 ZINC000038486939 213210410 /nfs/dbraw/zinc/21/04/10/213210410.db2.gz LQYOHVWNHQVWMW-UHFFFAOYSA-N 0 0 338.382 5.028 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cccc(C)c2n1 ZINC000038487134 564164914 /nfs/dbraw/zinc/16/49/14/564164914.db2.gz ZIGCGLJQGMBFJW-UHFFFAOYSA-N 0 0 340.810 5.035 50 0 EKAARN COC(=O)c1cc(Nc2ccc(C(C)C)cc2)c2cccc(C)c2n1 ZINC000038487135 563994798 /nfs/dbraw/zinc/99/47/98/563994798.db2.gz USVIELULKHGWLZ-UHFFFAOYSA-N 0 0 334.419 5.197 50 0 EKAARN O=C(Nc1ccc(F)cc1)c1sc2ccccc2c1-c1ccccc1 ZINC000038536773 563921877 /nfs/dbraw/zinc/92/18/77/563921877.db2.gz WAGQJYHWWSICGP-UHFFFAOYSA-N 0 0 347.414 5.960 50 0 EKAARN O=C1C(C2CCCCC2)=C(C2CCCCC2)C(=O)N1c1ccccc1 ZINC000038536786 213213189 /nfs/dbraw/zinc/21/31/89/213213189.db2.gz IEKVQDLLSQKBRO-UHFFFAOYSA-N 0 0 337.463 5.017 50 0 EKAARN Clc1cc(Br)cc(Cl)c1OCc1ccccc1 ZINC000038537423 213214248 /nfs/dbraw/zinc/21/42/48/213214248.db2.gz IFBZRCLFOBNPKB-UHFFFAOYSA-N 0 0 332.024 5.335 50 0 EKAARN Cc1ccc(CSc2nccn3nc(-c4ccccc4C)cc23)cc1 ZINC000038651801 213219337 /nfs/dbraw/zinc/21/93/37/213219337.db2.gz NXXZIMVTAMAVHY-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1ccccc1-c1cc2c(SCc3ccc(F)cc3)nccn2n1 ZINC000038651804 213218894 /nfs/dbraw/zinc/21/88/94/213218894.db2.gz IEEYCSZSWGINMT-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 EKAARN Cc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)c(C)c1 ZINC000038651969 213219715 /nfs/dbraw/zinc/21/97/15/213219715.db2.gz PFKIBJBFPCLZDO-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN O=C(Nc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000038671399 213220104 /nfs/dbraw/zinc/22/01/04/213220104.db2.gz XDOZCBWTXGKEHP-UHFFFAOYSA-N 0 0 335.388 5.200 50 0 EKAARN Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000038822848 213226645 /nfs/dbraw/zinc/22/66/45/213226645.db2.gz IBBQUCJURNNONW-QFIPXVFZSA-N 0 0 346.861 6.004 50 0 EKAARN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000038822850 213226572 /nfs/dbraw/zinc/22/65/72/213226572.db2.gz IBBQUCJURNNONW-JOCHJYFZSA-N 0 0 346.861 6.004 50 0 EKAARN COc1cc2ccccc2c(-c2c(C)c(OC)cc3ccccc32)c1C ZINC000038841207 564129218 /nfs/dbraw/zinc/12/92/18/564129218.db2.gz DEVABNQZEQWVSN-UHFFFAOYSA-N 0 0 342.438 6.294 50 0 EKAARN CCCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000038928174 213230100 /nfs/dbraw/zinc/23/01/00/213230100.db2.gz VCHHHSMPMLNVGS-UHFFFAOYSA-N 0 0 327.427 5.826 50 0 in-vitro EKAARN COc1ccc(-c2c3ccccc3n(C)c2-c2ccc(OC)cc2)cc1 ZINC000038962246 213230445 /nfs/dbraw/zinc/23/04/45/213230445.db2.gz KMIVTEGYXPKKPK-UHFFFAOYSA-N 0 0 343.426 5.530 50 0 EKAARN CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2C)c(O)c1 ZINC000039286460 213232797 /nfs/dbraw/zinc/23/27/97/213232797.db2.gz OTPOYNIGJRTIFG-YVWKXTFCSA-N 0 0 332.528 5.905 50 0 EKAARN CCC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@]4(C)CC[C@@H]3[C@]2(C)CCC1=O ZINC000039337346 564129207 /nfs/dbraw/zinc/12/92/07/564129207.db2.gz OVEPXIPPAPYZOU-UHNHAYRVSA-N 0 0 330.512 5.050 50 0 EKAARN CCCCc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000039371029 213234504 /nfs/dbraw/zinc/23/45/04/213234504.db2.gz AGPWUMDWXVXSKT-UHFFFAOYSA-N 0 0 343.426 6.181 50 0 EKAARN CC(C)(C)c1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 ZINC000039379285 213236071 /nfs/dbraw/zinc/23/60/71/213236071.db2.gz GCYGZXNAMAKCAV-UHFFFAOYSA-N 0 0 338.450 6.117 50 0 EKAARN O=C(CC1CCCC1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000039535628 213239526 /nfs/dbraw/zinc/23/95/26/213239526.db2.gz XWGLUZVKBHMALD-QFIPXVFZSA-N 0 0 333.431 5.219 50 0 EKAARN O=C(CC1CCCC1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000039535629 213239795 /nfs/dbraw/zinc/23/97/95/213239795.db2.gz XWGLUZVKBHMALD-JOCHJYFZSA-N 0 0 333.431 5.219 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c(C)c1 ZINC000039882774 213243947 /nfs/dbraw/zinc/24/39/47/213243947.db2.gz OFMIWABNNQUPOW-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3ccc(Cl)cc3Cl)coc2c1C ZINC000039883744 213243182 /nfs/dbraw/zinc/24/31/82/213243182.db2.gz FSBHUOBEFYDRAN-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(Cl)c3)coc2c1C ZINC000039883745 564167664 /nfs/dbraw/zinc/16/76/64/564167664.db2.gz TTWFLVJJKBGWLB-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3cccc4ccccc43)coc2c1C ZINC000039883746 564167666 /nfs/dbraw/zinc/16/76/66/564167666.db2.gz JZAIMIXZBMGYLY-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1ccc2c(CC(=O)Nc3ccc4ccccc4c3)coc2c1C ZINC000039883747 213243468 /nfs/dbraw/zinc/24/34/68/213243468.db2.gz SOXFEKPHYBSSDX-UHFFFAOYSA-N 0 0 329.399 5.384 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccccc3F)c2c(C)c1Cl ZINC000039892899 213243448 /nfs/dbraw/zinc/24/34/48/213243448.db2.gz WPMWQROLDJXQHD-UHFFFAOYSA-N 0 0 331.774 5.023 50 0 EKAARN Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c(C)c1 ZINC000039892908 564167673 /nfs/dbraw/zinc/16/76/73/564167673.db2.gz ZNQNDNGNOXHOGT-UHFFFAOYSA-N 0 0 341.838 5.501 50 0 EKAARN CCc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 ZINC000039892927 213243372 /nfs/dbraw/zinc/24/33/72/213243372.db2.gz DJSWBCQRCCIQRU-UHFFFAOYSA-N 0 0 341.838 5.447 50 0 EKAARN Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1C ZINC000039892934 564167653 /nfs/dbraw/zinc/16/76/53/564167653.db2.gz JHMSQMBZRRJXDZ-UHFFFAOYSA-N 0 0 341.838 5.501 50 0 EKAARN Cc1ccc(C)c(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 ZINC000039892938 213243348 /nfs/dbraw/zinc/24/33/48/213243348.db2.gz YLHAQMJCOBRGRJ-UHFFFAOYSA-N 0 0 341.838 5.501 50 0 EKAARN Cc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 ZINC000039892978 213243719 /nfs/dbraw/zinc/24/37/19/213243719.db2.gz OMPVCJHKRPUYCO-UHFFFAOYSA-N 0 0 327.811 5.193 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccccc3Cl)c2c(C)c1Cl ZINC000039892979 213243162 /nfs/dbraw/zinc/24/31/62/213243162.db2.gz OPYKDUSYFTVNAS-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 ZINC000039892982 213243968 /nfs/dbraw/zinc/24/39/68/213243968.db2.gz JJYJYUBNIHHOGJ-UHFFFAOYSA-N 0 0 327.811 5.193 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl ZINC000039892983 213243227 /nfs/dbraw/zinc/24/32/27/213243227.db2.gz JLOVUBCHWAWQJS-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 ZINC000039892988 213243798 /nfs/dbraw/zinc/24/37/98/213243798.db2.gz RBRHOCHWAQQURP-UHFFFAOYSA-N 0 0 327.811 5.193 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)cc3)c2c(C)c1Cl ZINC000039892989 213243213 /nfs/dbraw/zinc/24/32/13/213243213.db2.gz XIQXAMCQBOYZHF-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc(F)cc3)c2c(C)c1Cl ZINC000039892992 202416545 /nfs/dbraw/zinc/41/65/45/202416545.db2.gz IIWANBWDKGMJTK-UHFFFAOYSA-N 0 0 331.774 5.023 50 0 EKAARN Cc1ccc(-c2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000039907925 213243930 /nfs/dbraw/zinc/24/39/30/213243930.db2.gz BAITZZATXQORHD-UHFFFAOYSA-N 0 0 342.442 5.481 50 0 EKAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)Sc3ccccc3N2)cc1 ZINC000039930630 564167710 /nfs/dbraw/zinc/16/77/10/564167710.db2.gz RKSUFKMKZLMROU-RBBKRZOGSA-N 0 0 347.483 6.086 50 0 EKAARN COc1ccc([C@H]2C[C@H](c3ccccc3)Sc3ccccc3N2)cc1 ZINC000039930631 564167716 /nfs/dbraw/zinc/16/77/16/564167716.db2.gz RKSUFKMKZLMROU-IFMALSPDSA-N 0 0 347.483 6.086 50 0 EKAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)Sc3ccccc3N2)cc1 ZINC000039930632 564167705 /nfs/dbraw/zinc/16/77/05/564167705.db2.gz RKSUFKMKZLMROU-UNMCSNQZSA-N 0 0 347.483 6.086 50 0 EKAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)Sc3ccccc3N2)cc1 ZINC000039930633 564167706 /nfs/dbraw/zinc/16/77/06/564167706.db2.gz RKSUFKMKZLMROU-IRLDBZIGSA-N 0 0 347.483 6.086 50 0 EKAARN Clc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 ZINC000039959751 213245597 /nfs/dbraw/zinc/24/55/97/213245597.db2.gz NYQNRPXWNWIFSC-SFHVURJKSA-N 0 0 338.863 5.757 50 0 EKAARN Clc1ccc([C@H]2CC(c3cccs3)=NN2c2ccccc2)cc1 ZINC000039959752 213246330 /nfs/dbraw/zinc/24/63/30/213246330.db2.gz NYQNRPXWNWIFSC-GOSISDBHSA-N 0 0 338.863 5.757 50 0 EKAARN O=C(Nc1ccc(Nc2ccccc2)cc1)C1(c2ccccc2)CC1 ZINC000039975577 213246956 /nfs/dbraw/zinc/24/69/56/213246956.db2.gz BNEZYGWXPIYKJX-UHFFFAOYSA-N 0 0 328.415 5.101 50 0 EKAARN Cc1ccsc1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000039978255 213248052 /nfs/dbraw/zinc/24/80/52/213248052.db2.gz KRZYJJZPOCOSRD-UHFFFAOYSA-N 0 0 339.485 5.601 50 0 EKAARN C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000039978527 213247944 /nfs/dbraw/zinc/24/79/44/213247944.db2.gz WYYVNBXUQFZPBH-LBPRGKRZSA-N 0 0 348.273 5.363 50 0 EKAARN C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000039978528 213248009 /nfs/dbraw/zinc/24/80/09/213248009.db2.gz 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Fc1ccc(-c2nc(COc3c(Cl)cccc3Cl)co2)cc1 ZINC000040051531 213255302 /nfs/dbraw/zinc/25/53/02/213255302.db2.gz HDBOTRTZHMYCLT-UHFFFAOYSA-N 0 0 338.165 5.367 50 0 EKAARN CC(=O)Nc1ccc(-c2nc(-c3cc(C)ccc3C)c(C)s2)cc1 ZINC000040051925 213255817 /nfs/dbraw/zinc/25/58/17/213255817.db2.gz OBILBYIAKJHSAS-UHFFFAOYSA-N 0 0 336.460 5.361 50 0 EKAARN Cc1ccc(-c2nc(CSc3nncc4ccccc43)co2)c(C)c1 ZINC000040057618 213255509 /nfs/dbraw/zinc/25/55/09/213255509.db2.gz HSCUKMKTEIYEKM-UHFFFAOYSA-N 0 0 347.443 5.194 50 0 EKAARN C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F ZINC000040067830 213256355 /nfs/dbraw/zinc/25/63/55/213256355.db2.gz BQFJOPHDNQRNFF-KBPBESRZSA-N 0 0 340.398 5.036 50 0 EKAARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1F ZINC000040067833 213256388 /nfs/dbraw/zinc/25/63/88/213256388.db2.gz BQFJOPHDNQRNFF-KGLIPLIRSA-N 0 0 340.398 5.036 50 0 EKAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H](C)c1ccccc1F ZINC000040067836 213256329 /nfs/dbraw/zinc/25/63/29/213256329.db2.gz 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/nfs/dbraw/zinc/27/57/26/213275726.db2.gz IUVQCISCOVWDOK-AWEZNQCLSA-N 0 0 349.459 5.331 50 0 EKAARN C[C@H](CCc1ccccc1)Sc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000040156658 213276203 /nfs/dbraw/zinc/27/62/03/213276203.db2.gz IUVQCISCOVWDOK-CQSZACIVSA-N 0 0 349.459 5.331 50 0 EKAARN Cc1occc1-c1nnc(S[C@H](C)c2c(C)cc(C)cc2C)n1C ZINC000040157822 564168452 /nfs/dbraw/zinc/16/84/52/564168452.db2.gz KDENXGPRXCHOHG-OAHLLOKOSA-N 0 0 341.480 5.162 50 0 EKAARN Cc1occc1-c1nnc(S[C@@H](C)c2c(C)cc(C)cc2C)n1C ZINC000040157823 213275849 /nfs/dbraw/zinc/27/58/49/213275849.db2.gz KDENXGPRXCHOHG-HNNXBMFYSA-N 0 0 341.480 5.162 50 0 EKAARN CCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C ZINC000040158947 213276150 /nfs/dbraw/zinc/27/61/50/213276150.db2.gz DCHGOZZGTXCTBU-UHFFFAOYSA-N 0 0 344.505 5.100 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)c(C)c1 ZINC000040159751 213275584 /nfs/dbraw/zinc/27/55/84/213275584.db2.gz GSIUIYQBYOPCBA-UHFFFAOYSA-N 0 0 325.355 5.168 50 0 EKAARN O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000040159893 564168446 /nfs/dbraw/zinc/16/84/46/564168446.db2.gz BIABPIGZTDECOL-HMMYKYKNSA-N 0 0 333.818 5.519 50 0 EKAARN Cc1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000040159894 213276987 /nfs/dbraw/zinc/27/69/87/213276987.db2.gz FFUFWENRWJYLNO-HMMYKYKNSA-N 0 0 347.845 5.828 50 0 EKAARN COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccccc1Cl ZINC000040161379 213277037 /nfs/dbraw/zinc/27/70/37/213277037.db2.gz INXMFAUTFPZALE-ZDUSSCGKSA-N 0 0 349.883 5.090 50 0 EKAARN COc1ccc(C)cc1NC(=O)CS[C@H](C)c1ccccc1Cl ZINC000040161380 213276784 /nfs/dbraw/zinc/27/67/84/213276784.db2.gz INXMFAUTFPZALE-CYBMUJFWSA-N 0 0 349.883 5.090 50 0 EKAARN Cc1cccc(C)c1NC(=O)CS[C@@H](C)c1ccccc1Cl ZINC000040161381 202185174 /nfs/dbraw/zinc/18/51/74/202185174.db2.gz JLXUZIIBXYTOLM-AWEZNQCLSA-N 0 0 333.884 5.390 50 0 EKAARN Cc1cccc(C)c1NC(=O)CS[C@H](C)c1ccccc1Cl ZINC000040161382 213276657 /nfs/dbraw/zinc/27/66/57/213276657.db2.gz JLXUZIIBXYTOLM-CQSZACIVSA-N 0 0 333.884 5.390 50 0 EKAARN c1csc([C@H]2CCCN2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161563 213276645 /nfs/dbraw/zinc/27/66/45/213276645.db2.gz AOGGAADGHPVNDT-MRXNPFEDSA-N 0 0 341.505 5.285 50 0 EKAARN c1csc([C@@H]2CCCN2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161564 564168486 /nfs/dbraw/zinc/16/84/86/564168486.db2.gz AOGGAADGHPVNDT-INIZCTEOSA-N 0 0 341.505 5.285 50 0 EKAARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1Cc1sc(N)nc12 ZINC000040186699 564045863 /nfs/dbraw/zinc/04/58/63/564045863.db2.gz LDZFZRSSOBEODZ-WOXIIYLRSA-N 0 0 330.541 5.172 50 0 EKAARN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c(C)c1 ZINC000040210705 564168534 /nfs/dbraw/zinc/16/85/34/564168534.db2.gz VTMSDFIHALIEMQ-UHFFFAOYSA-N 0 0 330.406 5.508 50 0 EKAARN Cc1nn2c(nc(C)c(Cc3ccccc3)c2Cl)c1-c1ccccc1 ZINC000040216572 258059819 /nfs/dbraw/zinc/05/98/19/258059819.db2.gz ICLLKFFTVVUMFY-UHFFFAOYSA-N 0 0 347.849 5.257 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1ccc(Cl)cc1 ZINC000040216597 564168522 /nfs/dbraw/zinc/16/85/22/564168522.db2.gz ASLHAWNPOBLVQH-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1cccc(Cl)c1 ZINC000040216607 258059694 /nfs/dbraw/zinc/05/96/94/258059694.db2.gz FPJXSFFHJGBUKB-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1ccc(C)c(C)c1 ZINC000040216620 258059823 /nfs/dbraw/zinc/05/98/23/258059823.db2.gz ODYIMUCETLFLKJ-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1cc(C)cc(C)c1 ZINC000040216632 258059665 /nfs/dbraw/zinc/05/96/65/258059665.db2.gz KQPAPBSCWZOXQG-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN CCc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn32)cc1 ZINC000040216662 258059757 /nfs/dbraw/zinc/05/97/57/258059757.db2.gz PHHCEVCHHCOBBT-UHFFFAOYSA-N 0 0 342.446 5.319 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N[C@@H](C)c1ccccc1 ZINC000040216666 202430114 /nfs/dbraw/zinc/43/01/14/202430114.db2.gz QNJVQHFNOHZWPW-KRWDZBQOSA-N 0 0 342.446 5.186 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N[C@H](C)c1ccccc1 ZINC000040216668 564168531 /nfs/dbraw/zinc/16/85/31/564168531.db2.gz QNJVQHFNOHZWPW-QGZVFWFLSA-N 0 0 342.446 5.186 50 0 EKAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NC1CCCC1 ZINC000040216722 258059657 /nfs/dbraw/zinc/05/96/57/258059657.db2.gz RCQNWMCQGZUQRR-UHFFFAOYSA-N 0 0 340.858 5.021 50 0 EKAARN Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NCCC(C)C ZINC000040216738 258059804 /nfs/dbraw/zinc/05/98/04/258059804.db2.gz CQAAGDJHZSDEOF-UHFFFAOYSA-N 0 0 342.874 5.125 50 0 EKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2Nc1ccccc1 ZINC000040216762 258059844 /nfs/dbraw/zinc/05/98/44/258059844.db2.gz WZJMKCXEAQGNRF-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2Nc1ccc(C)cc1 ZINC000040216764 258059643 /nfs/dbraw/zinc/05/96/43/258059643.db2.gz NPGYFHKOCMLAAQ-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2Nc1cccc(C)c1 ZINC000040216767 564168549 /nfs/dbraw/zinc/16/85/49/564168549.db2.gz GAMATHMWUZCITE-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2NC1CCCCC1 ZINC000040216783 202430229 /nfs/dbraw/zinc/43/02/29/202430229.db2.gz XKZHGNMTIBBSHD-UHFFFAOYSA-N 0 0 334.467 5.066 50 0 EKAARN Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2Nc1ccc(F)cc1 ZINC000040216791 258059846 /nfs/dbraw/zinc/05/98/46/258059846.db2.gz PODMXXQZZKPTHH-UHFFFAOYSA-N 0 0 346.409 5.204 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2Nc1ccccc1 ZINC000040216896 258059655 /nfs/dbraw/zinc/05/96/55/258059655.db2.gz TVHCJVFJUORPRX-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2Nc1ccc(C)cc1 ZINC000040216898 258059653 /nfs/dbraw/zinc/05/96/53/258059653.db2.gz WVTJBBRYFOHOBE-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2Nc1cccc(C)c1 ZINC000040216903 564168565 /nfs/dbraw/zinc/16/85/65/564168565.db2.gz ZKZLQWWQTXKXDV-UHFFFAOYSA-N 0 0 342.446 5.374 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2NC1CCCCC1 ZINC000040216919 258059677 /nfs/dbraw/zinc/05/96/77/258059677.db2.gz CRJXAOVHTRWUCR-UHFFFAOYSA-N 0 0 334.467 5.066 50 0 EKAARN Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2Nc1ccc(F)cc1 ZINC000040216927 564168556 /nfs/dbraw/zinc/16/85/56/564168556.db2.gz YEVYILQJMWCUKR-UHFFFAOYSA-N 0 0 346.409 5.204 50 0 EKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2Nc1ccccc1 ZINC000040216986 258059693 /nfs/dbraw/zinc/05/96/93/258059693.db2.gz RPHDSOHHKWIHLC-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NC1CCCC1 ZINC000040217015 258059864 /nfs/dbraw/zinc/05/98/64/258059864.db2.gz UFHDZZOFEZPRPC-UHFFFAOYSA-N 0 0 340.858 5.021 50 0 EKAARN Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCCC(C)C ZINC000040217029 258059733 /nfs/dbraw/zinc/05/97/33/258059733.db2.gz PGDPQBXRSJZFAI-UHFFFAOYSA-N 0 0 342.874 5.125 50 0 EKAARN CCCCCNc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn21 ZINC000040217033 202429699 /nfs/dbraw/zinc/42/96/99/202429699.db2.gz NPFQLRAWBGXPMP-UHFFFAOYSA-N 0 0 342.874 5.269 50 0 EKAARN CC(C)c1ccc(OCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231812 213284127 /nfs/dbraw/zinc/28/41/27/213284127.db2.gz APKYJJSZEGUSHR-UHFFFAOYSA-N 0 0 348.368 5.258 50 0 EKAARN CC(C)(C)OC(=O)Nc1cccc(-c2cc3nc(Cl)ccc3[nH]2)c1 ZINC000040450008 563923107 /nfs/dbraw/zinc/92/31/07/563923107.db2.gz CVROMQJTWCETKX-UHFFFAOYSA-N 0 0 343.814 5.230 50 0 EKAARN COc1cc(Oc2ccnc(Cl)c2)ccc1OCc1ccccc1 ZINC000040450116 213304820 /nfs/dbraw/zinc/30/48/20/213304820.db2.gz CDHJWHLGYRZADX-UHFFFAOYSA-N 0 0 341.794 5.115 50 0 EKAARN FC(F)(F)c1cc(OCc2ccccc2)ccc1Br ZINC000040456676 213305667 /nfs/dbraw/zinc/30/56/67/213305667.db2.gz OIXYWYPMKGUGIM-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN FC(F)(F)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000040456685 563923097 /nfs/dbraw/zinc/92/30/97/563923097.db2.gz VIGCXRMJHAZXGW-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000040478251 564169784 /nfs/dbraw/zinc/16/97/84/564169784.db2.gz GZMHSAWLSOKJNE-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN CC1(C)Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000040486322 213316607 /nfs/dbraw/zinc/31/66/07/213316607.db2.gz SOFYLRVNHUOJES-INIZCTEOSA-N 0 0 347.245 5.273 50 0 EKAARN CC1(C)Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000040486323 213316598 /nfs/dbraw/zinc/31/65/98/213316598.db2.gz SOFYLRVNHUOJES-MRXNPFEDSA-N 0 0 347.245 5.273 50 0 EKAARN Cc1cccc(COc2ccc(Cl)cc2CNCc2ccco2)c1 ZINC000040742932 213379999 /nfs/dbraw/zinc/37/99/99/213379999.db2.gz REKRCFMPISIXHU-UHFFFAOYSA-N 0 0 341.838 5.110 50 0 EKAARN Cc1ccccc1COc1ccc(Cl)cc1CNCc1ccco1 ZINC000040743005 213380206 /nfs/dbraw/zinc/38/02/06/213380206.db2.gz FCROLGSJJAQCPR-UHFFFAOYSA-N 0 0 341.838 5.110 50 0 EKAARN O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1ccccc1Cl ZINC000040816652 213390049 /nfs/dbraw/zinc/39/00/49/213390049.db2.gz QBEMGFTVYVBNRC-UHFFFAOYSA-N 0 0 343.213 5.308 50 0 EKAARN Brc1cc(Br)cc(Oc2ccccc2)c1 ZINC000040860194 213392986 /nfs/dbraw/zinc/39/29/86/213392986.db2.gz FOXBZJLXVUHYQZ-UHFFFAOYSA-N 0 0 328.003 5.004 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000041091578 563924211 /nfs/dbraw/zinc/92/42/11/563924211.db2.gz WFNQCPZSTYSLAU-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)c1C ZINC000041097103 564173163 /nfs/dbraw/zinc/17/31/63/564173163.db2.gz ZUKDUIQETKTPME-UHFFFAOYSA-N 0 0 346.492 5.120 50 0 EKAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1C ZINC000041107813 563924330 /nfs/dbraw/zinc/92/43/30/563924330.db2.gz GXFAPOQVHZUPHQ-UHFFFAOYSA-N 0 0 343.785 5.608 50 0 EKAARN C[C@H](Nc1nc(N2CCCCCC2)nc2ccccc21)c1ccccc1 ZINC000041153920 204007714 /nfs/dbraw/zinc/00/77/14/204007714.db2.gz AOGPCTBPDYKBMO-KRWDZBQOSA-N 0 0 346.478 5.183 50 0 EKAARN C[C@@H](Nc1nc(N2CCCCCC2)nc2ccccc21)c1ccccc1 ZINC000041153923 564173560 /nfs/dbraw/zinc/17/35/60/564173560.db2.gz AOGPCTBPDYKBMO-QGZVFWFLSA-N 0 0 346.478 5.183 50 0 EKAARN Cc1ccccc1NC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000041155098 202475406 /nfs/dbraw/zinc/47/54/06/202475406.db2.gz IEKUVKLJWXZDKQ-UHFFFAOYSA-N 0 0 344.439 5.524 50 0 EKAARN CCCCc1ccc(NC(=O)c2c(C)oc3ccc(OC)cc32)cc1 ZINC000041156376 213428248 /nfs/dbraw/zinc/42/82/48/213428248.db2.gz IUEBNNFMQHYENT-UHFFFAOYSA-N 0 0 337.419 5.345 50 0 EKAARN COc1ccc2oc(C)c(C(=O)Nc3cccc4ccccc43)c2c1 ZINC000041156451 564173599 /nfs/dbraw/zinc/17/35/99/564173599.db2.gz QXPRMLWELOJSIQ-UHFFFAOYSA-N 0 0 331.371 5.155 50 0 EKAARN COc1ccc2oc(C)c(C(=O)Nc3ccc4ccccc4c3)c2c1 ZINC000041156475 564173593 /nfs/dbraw/zinc/17/35/93/564173593.db2.gz LEEGCRXOTQINCY-UHFFFAOYSA-N 0 0 331.371 5.155 50 0 EKAARN COc1ccc2oc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000041156478 564173582 /nfs/dbraw/zinc/17/35/82/564173582.db2.gz JATTZWIZSDPVSH-UHFFFAOYSA-N 0 0 349.308 5.021 50 0 EKAARN COc1ccc2oc(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000041156490 213427514 /nfs/dbraw/zinc/42/75/14/213427514.db2.gz FDKVORGCYFMBBX-UHFFFAOYSA-N 0 0 349.308 5.021 50 0 EKAARN FC(F)(F)c1cc(Nc2ccc(-c3ccccc3)nn2)ccc1Cl ZINC000041195247 564173627 /nfs/dbraw/zinc/17/36/27/564173627.db2.gz GDVXYZOGPYRITN-UHFFFAOYSA-N 0 0 349.743 5.559 50 0 EKAARN c1coc(-c2nc(CNC(c3ccccc3)c3ccccc3)cs2)c1 ZINC000042287777 564174795 /nfs/dbraw/zinc/17/47/95/564174795.db2.gz CIHABZRUISRSQJ-UHFFFAOYSA-N 0 0 346.455 5.282 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000042709844 213526531 /nfs/dbraw/zinc/52/65/31/213526531.db2.gz TZFGINGTXOTGEB-UHFFFAOYSA-N 0 0 339.483 5.200 50 0 EKAARN O=C(Nc1ccc(-c2ccccn2)s1)Nc1ccccc1Cl ZINC000042784392 563925043 /nfs/dbraw/zinc/92/50/43/563925043.db2.gz OZLHSAIYFIGVCR-UHFFFAOYSA-N 0 0 329.812 5.108 50 0 EKAARN Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1ccccc1 ZINC000043023750 564076706 /nfs/dbraw/zinc/07/67/06/564076706.db2.gz IXYPWFUDXMSOQR-QGZVFWFLSA-N 0 0 341.252 5.420 50 0 EKAARN Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3Nc1ccccc1 ZINC000043023753 564076708 /nfs/dbraw/zinc/07/67/08/564076708.db2.gz IXYPWFUDXMSOQR-KRWDZBQOSA-N 0 0 341.252 5.420 50 0 EKAARN CCCCCCc1ccc(OCc2ccccc2Br)cc1 ZINC000043162849 213565773 /nfs/dbraw/zinc/56/57/73/213565773.db2.gz GMKYVSBVQOQIOE-UHFFFAOYSA-N 0 0 347.296 6.151 50 0 EKAARN CC(C)c1cccc(C(C)C)c1OCc1cccc(Br)c1 ZINC000043162850 564076166 /nfs/dbraw/zinc/07/61/66/564076166.db2.gz PUEUTEXVWCKLIM-UHFFFAOYSA-N 0 0 347.296 6.275 50 0 EKAARN O=C(Nc1ccc2ccccc2c1)OCc1ccc(Cl)cc1Cl ZINC000043191259 213567645 /nfs/dbraw/zinc/56/76/45/213567645.db2.gz XMWBOMYJDJBDBW-UHFFFAOYSA-N 0 0 346.213 5.895 50 0 EKAARN COc1ccc(Oc2nc(-c3ccccc3)nc3ccsc32)cc1 ZINC000043197724 202509502 /nfs/dbraw/zinc/50/95/02/202509502.db2.gz SVWMVQDWOVQGAW-UHFFFAOYSA-N 0 0 334.400 5.159 50 0 EKAARN CC(C)(C)c1cc(CO[C@@H]2CCC=CCCC2=O)cc(C(C)(C)C)c1 ZINC000043199228 564076211 /nfs/dbraw/zinc/07/62/11/564076211.db2.gz WJXMZHJHZUKKGE-OAQYLSRUSA-N 0 0 342.523 5.866 50 0 EKAARN CC(C)(C)c1cc(CO[C@H]2CCC=CCCC2=O)cc(C(C)(C)C)c1 ZINC000043199229 564076202 /nfs/dbraw/zinc/07/62/02/564076202.db2.gz WJXMZHJHZUKKGE-NRFANRHFSA-N 0 0 342.523 5.866 50 0 EKAARN CC(C)(C)c1cc(C[C@]2(O)CCCCCCC2=O)cc(C(C)(C)C)c1 ZINC000043199231 564076210 /nfs/dbraw/zinc/07/62/10/564076210.db2.gz AAYVGYMRUPZZGX-HSZRJFAPSA-N 0 0 344.539 5.479 50 0 EKAARN CC(C)(C)c1cc(C[C@@]2(O)CCCCCCC2=O)cc(C(C)(C)C)c1 ZINC000043199232 564076191 /nfs/dbraw/zinc/07/61/91/564076191.db2.gz AAYVGYMRUPZZGX-QHCPKHFHSA-N 0 0 344.539 5.479 50 0 EKAARN CCCCCc1ccc(C(=O)c2ccccc2Br)cc1 ZINC000043210211 563925245 /nfs/dbraw/zinc/92/52/45/563925245.db2.gz RSRDVAHWFCBGQG-UHFFFAOYSA-N 0 0 331.253 5.413 50 0 EKAARN CCCCCc1ccc(C(=O)c2cccc(Br)c2)cc1 ZINC000043210212 202508997 /nfs/dbraw/zinc/50/89/97/202508997.db2.gz GIEDWPNRKOMAMV-UHFFFAOYSA-N 0 0 331.253 5.413 50 0 EKAARN CCCCCc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000043210213 563925276 /nfs/dbraw/zinc/92/52/76/563925276.db2.gz VKNWSBODGBUHBL-UHFFFAOYSA-N 0 0 331.253 5.413 50 0 EKAARN CCCCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 ZINC000043210424 563925290 /nfs/dbraw/zinc/92/52/90/563925290.db2.gz BMSXBNOKNPINNA-UHFFFAOYSA-N 0 0 344.476 5.147 50 0 EKAARN CCCCCc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 ZINC000043214336 563925487 /nfs/dbraw/zinc/92/54/87/563925487.db2.gz CIRRQKWCBLXQPR-UHFFFAOYSA-N 0 0 332.484 5.506 50 0 EKAARN CCCCCCc1ccc(C(=O)CCCCCC(=O)OCC)cc1 ZINC000043214338 563925526 /nfs/dbraw/zinc/92/55/26/563925526.db2.gz GRSROGKHXKYKOY-UHFFFAOYSA-N 0 0 332.484 5.506 50 0 EKAARN CCCCCCc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 ZINC000043214339 213569187 /nfs/dbraw/zinc/56/91/87/213569187.db2.gz CJOYQDGLMRPXNM-UHFFFAOYSA-N 0 0 346.511 5.896 50 0 EKAARN CCCCCOc1ccc(C(=O)CCCCCCC(=O)OCC)cc1 ZINC000043214343 202509268 /nfs/dbraw/zinc/50/92/68/202509268.db2.gz WUARCUGVDUBZCN-UHFFFAOYSA-N 0 0 348.483 5.342 50 0 EKAARN CCCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 ZINC000043214346 563925505 /nfs/dbraw/zinc/92/55/05/563925505.db2.gz YMIKSVOUYDWINA-UHFFFAOYSA-N 0 0 348.483 5.342 50 0 EKAARN CCOC(=O)CCCCCCC(=O)c1ccc(SC)cc1Cl ZINC000043214388 563925497 /nfs/dbraw/zinc/92/54/97/563925497.db2.gz JDDUAKVCGRQAIE-UHFFFAOYSA-N 0 0 342.888 5.148 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000043281679 563861900 /nfs/dbraw/zinc/86/19/00/563861900.db2.gz TYWXEPMYTZUGSB-UHFFFAOYSA-N 0 0 330.859 5.436 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)NCCSc1ccccc1 ZINC000043313411 563862853 /nfs/dbraw/zinc/86/28/53/563862853.db2.gz VPKMAYYTHMYSNV-UHFFFAOYSA-N 0 0 328.481 5.032 50 0 EKAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000043332692 563863821 /nfs/dbraw/zinc/86/38/21/563863821.db2.gz DEXAXCLROQRVHM-QGZVFWFLSA-N 0 0 344.842 5.108 50 0 EKAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000043332693 563863719 /nfs/dbraw/zinc/86/37/19/563863719.db2.gz DEXAXCLROQRVHM-KRWDZBQOSA-N 0 0 344.842 5.108 50 0 EKAARN CCN(Cc1ccccc1)C(=O)Nc1ccccc1SC(F)F ZINC000043552800 563906593 /nfs/dbraw/zinc/90/65/93/563906593.db2.gz HOLMSOVYSAXPNI-UHFFFAOYSA-N 0 0 336.407 5.055 50 0 EKAARN CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21 ZINC000043681903 563925909 /nfs/dbraw/zinc/92/59/09/563925909.db2.gz JWQOZEXSBKOAAL-MRXNPFEDSA-N 0 0 335.447 5.636 50 0 EKAARN CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc(C=O)ccc21 ZINC000043681904 563925874 /nfs/dbraw/zinc/92/58/74/563925874.db2.gz JWQOZEXSBKOAAL-INIZCTEOSA-N 0 0 335.447 5.636 50 0 EKAARN CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000043756792 564129212 /nfs/dbraw/zinc/12/92/12/564129212.db2.gz LZSOOHLAZHOTHJ-OGDHSWOFSA-N 0 0 330.512 5.050 50 0 EKAARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043758822 564129224 /nfs/dbraw/zinc/12/92/24/564129224.db2.gz WCRNVUWHLPSYKR-CBDUDEPBSA-N 0 0 346.555 5.845 50 0 EKAARN O=C(c1ccccc1)[C@]12CC=CC[C@@]1(C(=O)c1ccccc1)CCCC2 ZINC000043761801 564076224 /nfs/dbraw/zinc/07/62/24/564076224.db2.gz JFKASSMDNNXARQ-PSWAGMNNSA-N 0 0 344.454 5.649 50 0 EKAARN CC(C)(C)[C@H]1CCC2(SCCCS2)/C(=C/c2ccccc2)C1 ZINC000043763189 564076248 /nfs/dbraw/zinc/07/62/48/564076248.db2.gz SHGKTCPSDGXCOA-AATZCTEQSA-N 0 0 332.578 6.483 50 0 EKAARN CC(C)[C@H](CC1=C(c2ccccc2)CCCC1)C(=O)OC(C)(C)C ZINC000043763494 564129209 /nfs/dbraw/zinc/12/92/09/564129209.db2.gz ODSAUCKRGZLKSV-FQEVSTJZSA-N 0 0 328.496 6.018 50 0 EKAARN O=C1CC[C@@H](CC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000043763614 564076239 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CC[C@H](C)c1cc(C(C)(C)c2ccc(O)c([C@@H](C)CC)c2)ccc1O ZINC000044069204 563926058 /nfs/dbraw/zinc/92/60/58/563926058.db2.gz XCUMMFDPFFDQEX-HOTGVXAUSA-N 0 0 340.507 6.451 50 0 EKAARN Cc1ccccc1NC(=S)N[C@@H](c1cccs1)C1CCCC1 ZINC000044079688 563981229 /nfs/dbraw/zinc/98/12/29/563981229.db2.gz VKHUZICSXCUMIV-QGZVFWFLSA-N 0 0 330.522 5.274 50 0 EKAARN Cc1ccccc1NC(=S)N[C@H](c1cccs1)C1CCCC1 ZINC000044079690 564059469 /nfs/dbraw/zinc/05/94/69/564059469.db2.gz VKHUZICSXCUMIV-KRWDZBQOSA-N 0 0 330.522 5.274 50 0 EKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2)cc1 ZINC000044085316 204292879 /nfs/dbraw/zinc/29/28/79/204292879.db2.gz BCAALSLIENEBIT-UHFFFAOYSA-N 0 0 334.488 5.882 50 0 EKAARN COc1ccc(-c2cnc(SCC(C)C)n2-c2ccccc2)cc1 ZINC000044085330 564059477 /nfs/dbraw/zinc/05/94/77/564059477.db2.gz WPEJVFAGHZTXRX-UHFFFAOYSA-N 0 0 338.476 5.296 50 0 EKAARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044085355 204293683 /nfs/dbraw/zinc/29/36/83/204293683.db2.gz OLYAQRXXCLHUDR-UHFFFAOYSA-N 0 0 335.259 5.568 50 0 EKAARN CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000044085357 213607673 /nfs/dbraw/zinc/60/76/73/213607673.db2.gz IFMSNUDGKUWKOV-UHFFFAOYSA-N 0 0 349.286 5.958 50 0 EKAARN CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000044085373 204295870 /nfs/dbraw/zinc/29/58/70/204295870.db2.gz DSSYIWZUJHXQKP-UHFFFAOYSA-N 0 0 345.265 5.024 50 0 EKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 ZINC000044085398 564059507 /nfs/dbraw/zinc/05/95/07/564059507.db2.gz CKOWHQDJHBTSFT-UHFFFAOYSA-N 0 0 338.476 5.535 50 0 EKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1 ZINC000044085437 204296166 /nfs/dbraw/zinc/29/61/66/204296166.db2.gz HIDBMUIDQTYERK-UHFFFAOYSA-N 0 0 348.515 5.942 50 0 EKAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 ZINC000044085486 564059485 /nfs/dbraw/zinc/05/94/85/564059485.db2.gz GZOYNWZWAMWMHD-UHFFFAOYSA-N 0 0 334.488 5.882 50 0 EKAARN Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(C)cc2)cc1 ZINC000044085500 564059492 /nfs/dbraw/zinc/05/94/92/564059492.db2.gz IMYSDNQVOVIIEO-UHFFFAOYSA-N 0 0 336.504 5.904 50 0 EKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(C)cc2)cc1 ZINC000044085504 213608185 /nfs/dbraw/zinc/60/81/85/213608185.db2.gz FAXYMWRRIQCZHG-UHFFFAOYSA-N 0 0 348.515 6.191 50 0 EKAARN COc1ccc(-c2cnc(SC(C)C)n2-c2ccc(C)cc2)cc1 ZINC000044085513 204296069 /nfs/dbraw/zinc/29/60/69/204296069.db2.gz STDPGKJUYVBUGA-UHFFFAOYSA-N 0 0 338.476 5.357 50 0 EKAARN CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000044085537 564059495 /nfs/dbraw/zinc/05/94/95/564059495.db2.gz DEHNKJAZZMZNCU-UHFFFAOYSA-N 0 0 349.286 5.876 50 0 EKAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SC1CCCC1 ZINC000044086669 564059534 /nfs/dbraw/zinc/05/95/34/564059534.db2.gz GAFNVGZUXXIIFF-UHFFFAOYSA-N 0 0 334.488 5.882 50 0 EKAARN COc1ccc(-c2cnc(SC(C)C)n2-c2ccccc2C)cc1 ZINC000044086725 204295671 /nfs/dbraw/zinc/29/56/71/204295671.db2.gz FYZIDSBGDPCZJL-UHFFFAOYSA-N 0 0 338.476 5.357 50 0 EKAARN Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccccc2C)cc1 ZINC000044086773 204296293 /nfs/dbraw/zinc/29/62/93/204296293.db2.gz ODUDYZQLAQDSHC-UHFFFAOYSA-N 0 0 348.515 6.191 50 0 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EKAARN CCSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(Cl)c1 ZINC000044087238 204296208 /nfs/dbraw/zinc/29/62/08/204296208.db2.gz WGOJFHOUKHLZQR-UHFFFAOYSA-N 0 0 344.867 5.313 50 0 EKAARN CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 ZINC000044087285 564059515 /nfs/dbraw/zinc/05/95/15/564059515.db2.gz OLMRJQHYJSJGAF-UHFFFAOYSA-N 0 0 328.868 5.613 50 0 EKAARN Cc1ccc(-c2cnc(SC(C)C)n2-c2cccc(Cl)c2)cc1 ZINC000044087290 213607774 /nfs/dbraw/zinc/60/77/74/213607774.db2.gz XCNGIKJJLUVBAB-UHFFFAOYSA-N 0 0 342.895 6.002 50 0 EKAARN CC(C)Sc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000044087461 213608037 /nfs/dbraw/zinc/60/80/37/213608037.db2.gz XDOGXBYFGJHFDU-UHFFFAOYSA-N 0 0 328.868 5.693 50 0 EKAARN CC(C)CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000044087463 204295746 /nfs/dbraw/zinc/29/57/46/204295746.db2.gz SUORLSPHHIBHJI-UHFFFAOYSA-N 0 0 342.895 5.941 50 0 EKAARN CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 ZINC000044087503 564059538 /nfs/dbraw/zinc/05/95/38/564059538.db2.gz ICJYYEYKSHCPCF-UHFFFAOYSA-N 0 0 344.867 5.313 50 0 EKAARN CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000044087548 204295102 /nfs/dbraw/zinc/29/51/02/204295102.db2.gz VJQYQMBJWKFPLM-UHFFFAOYSA-N 0 0 328.868 5.613 50 0 EKAARN Cc1ccc(-c2cnc(SC(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000044087554 564059527 /nfs/dbraw/zinc/05/95/27/564059527.db2.gz WBJHZQMEKZUMQH-UHFFFAOYSA-N 0 0 342.895 6.002 50 0 EKAARN CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087663 204295608 /nfs/dbraw/zinc/29/56/08/204295608.db2.gz YFXWCADVCHEMTG-UHFFFAOYSA-N 0 0 334.366 5.280 50 0 EKAARN CCSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087664 204296061 /nfs/dbraw/zinc/29/60/61/204296061.db2.gz QZKSBTLKQUKWQK-UHFFFAOYSA-N 0 0 348.393 5.670 50 0 EKAARN CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087758 564059525 /nfs/dbraw/zinc/05/95/25/564059525.db2.gz DLGDTINMVRDBFP-UHFFFAOYSA-N 0 0 348.393 5.588 50 0 EKAARN CCSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088089 564059521 /nfs/dbraw/zinc/05/95/21/564059521.db2.gz VEKJYFGMXPZTDS-UHFFFAOYSA-N 0 0 346.402 5.253 50 0 EKAARN CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088149 213608173 /nfs/dbraw/zinc/60/81/73/213608173.db2.gz GYSCSNCZPOKUTM-UHFFFAOYSA-N 0 0 346.402 5.171 50 0 EKAARN Cc1cc(C)c(CSc2ccccc2)c(-c2ccc(F)c(C)c2)c1 ZINC000044123181 563926159 /nfs/dbraw/zinc/92/61/59/563926159.db2.gz ZKCYSNPAJJGTIY-UHFFFAOYSA-N 0 0 336.475 6.710 50 0 EKAARN Cc1cc(C)c(-c2cccc3c(Br)cc(C)nc32)c(C)c1 ZINC000044124033 563926132 /nfs/dbraw/zinc/92/61/32/563926132.db2.gz RFPDNKIRDJUFPF-UHFFFAOYSA-N 0 0 340.264 5.898 50 0 EKAARN Brc1ccc(Oc2ccc(Oc3cccnc3)cc2)cc1 ZINC000044125408 563926175 /nfs/dbraw/zinc/92/61/75/563926175.db2.gz HWCSCNQROPXSLS-UHFFFAOYSA-N 0 0 342.192 5.429 50 0 EKAARN O=C(Nc1ccccc1)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000044166415 564059636 /nfs/dbraw/zinc/05/96/36/564059636.db2.gz QWRKHTZARIGCQJ-UHFFFAOYSA-N 0 0 344.439 5.458 50 0 EKAARN Cc1cccc(C(C)C)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000044277412 213615826 /nfs/dbraw/zinc/61/58/26/213615826.db2.gz HYCWRFBDEDBGIV-UHFFFAOYSA-N 0 0 341.499 5.446 50 0 EKAARN CCc1cccc(CC)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000044278938 213617849 /nfs/dbraw/zinc/61/78/49/213617849.db2.gz LJIIPTCBKMTQLC-UHFFFAOYSA-N 0 0 341.499 5.139 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000044441366 213624980 /nfs/dbraw/zinc/62/49/80/213624980.db2.gz WAPSCJQOMRIOGI-UHFFFAOYSA-N 0 0 342.402 5.182 50 0 EKAARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)C1CC1 ZINC000044446780 204299580 /nfs/dbraw/zinc/29/95/80/204299580.db2.gz YJMFVGZYSRBLRM-UHFFFAOYSA-N 0 0 341.263 5.251 50 0 EKAARN CCCN(Cc1ccsc1)C(=O)NCc1cccc2ccccc21 ZINC000044447409 213624536 /nfs/dbraw/zinc/62/45/36/213624536.db2.gz ZJLSYQDOXHYMHI-UHFFFAOYSA-N 0 0 338.476 5.023 50 0 EKAARN CC(C)(C)P(c1ccnn1-c1cccc2ccccc21)C(C)(C)C ZINC000044831022 563926681 /nfs/dbraw/zinc/92/66/81/563926681.db2.gz XJZYJFVKLNCBQF-UHFFFAOYSA-N 0 0 338.435 5.730 50 0 EKAARN Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)cc1C ZINC000044837912 564027343 /nfs/dbraw/zinc/02/73/43/564027343.db2.gz 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/nfs/dbraw/zinc/02/73/15/564027315.db2.gz FMHYOBWXOARYQK-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)c1 ZINC000044837964 564027328 /nfs/dbraw/zinc/02/73/28/564027328.db2.gz KLFRIFBQYLQMPJ-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044837969 564027332 /nfs/dbraw/zinc/02/73/32/564027332.db2.gz UYZFIKUVSSFSJN-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN O=C(Nc1ccccc1Cl)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838137 564027322 /nfs/dbraw/zinc/02/73/22/564027322.db2.gz DYXAKQDIUZUQPH-UHFFFAOYSA-N 0 0 347.805 5.136 50 0 EKAARN CCc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000044844776 564027459 /nfs/dbraw/zinc/02/74/59/564027459.db2.gz LTMPXBJVXLLHHK-UHFFFAOYSA-N 0 0 332.403 5.685 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000044845185 213651481 /nfs/dbraw/zinc/65/14/81/213651481.db2.gz OAUVXYGCJMDFLL-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1Cl ZINC000044845190 564027472 /nfs/dbraw/zinc/02/74/72/564027472.db2.gz PZYUAIDHXMESGK-UHFFFAOYSA-N 0 0 344.720 5.191 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000044845195 563927015 /nfs/dbraw/zinc/92/70/15/563927015.db2.gz OXTOBWFADXUAQF-UHFFFAOYSA-N 0 0 344.720 5.191 50 0 EKAARN Cc1ccc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)c1 ZINC000044928822 564027767 /nfs/dbraw/zinc/02/77/67/564027767.db2.gz ARBAKIAWQUJBIC-UHFFFAOYSA-N 0 0 328.868 6.132 50 0 EKAARN CC(C)(C)c1cc(CS(=O)(=O)c2ccccc2)cc(C(C)(C)C)c1 ZINC000045027930 564076241 /nfs/dbraw/zinc/07/62/41/564076241.db2.gz HOOVZUDFSFXSRY-UHFFFAOYSA-N 0 0 344.520 5.256 50 0 EKAARN O=C(c1cccc(Oc2ccccc2)c1)c1cncc2ccccc21 ZINC000045028892 202544329 /nfs/dbraw/zinc/54/43/29/202544329.db2.gz CITPUHZGDNAPNG-UHFFFAOYSA-N 0 0 325.367 5.258 50 0 EKAARN O=C(c1ccc(Oc2ccccc2)cc1)c1cncc2ccccc21 ZINC000045028893 563928874 /nfs/dbraw/zinc/92/88/74/563928874.db2.gz URKGCNMYMMFQEG-UHFFFAOYSA-N 0 0 325.367 5.258 50 0 EKAARN CCCCCCOc1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000045028908 213701847 /nfs/dbraw/zinc/70/18/47/213701847.db2.gz ZHSLESLRWSRRCW-UHFFFAOYSA-N 0 0 333.431 5.425 50 0 EKAARN CC(C)(C)c1cc(C(=O)C2CCCCCC2)cc(C(C)(C)C)c1O ZINC000045067750 564076228 /nfs/dbraw/zinc/07/62/28/564076228.db2.gz FDMPXCUAJOJZNI-UHFFFAOYSA-N 0 0 330.512 6.140 50 0 EKAARN Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc1 ZINC000045068135 564076226 /nfs/dbraw/zinc/07/62/26/564076226.db2.gz RFYXHKRNQLYBSS-SFHVURJKSA-N 0 0 338.863 5.757 50 0 EKAARN Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1 ZINC000045068137 213705507 /nfs/dbraw/zinc/70/55/07/213705507.db2.gz RFYXHKRNQLYBSS-GOSISDBHSA-N 0 0 338.863 5.757 50 0 EKAARN Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)cc1C ZINC000045068312 213705192 /nfs/dbraw/zinc/70/51/92/213705192.db2.gz GPRQSSOFJQNFAI-QHCPKHFHSA-N 0 0 343.495 6.661 50 0 EKAARN Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)cc1C ZINC000045068315 564076234 /nfs/dbraw/zinc/07/62/34/564076234.db2.gz GPRQSSOFJQNFAI-HSZRJFAPSA-N 0 0 343.495 6.661 50 0 EKAARN Cc1ccc2ccccc2c1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000045068500 564076259 /nfs/dbraw/zinc/07/62/59/564076259.db2.gz JVLINADWODAVLZ-UHFFFAOYSA-N 0 0 334.418 5.950 50 0 EKAARN O=C(Cc1sc2ccccc2c1Cl)Nc1ccc(Cl)cc1 ZINC000045068761 564076277 /nfs/dbraw/zinc/07/62/77/564076277.db2.gz BYMQEQFQMMNLPG-UHFFFAOYSA-N 0 0 336.243 5.389 50 0 EKAARN Cc1nc2ccccc2nc1CSC1=Nc2ccccc2CS1 ZINC000045494319 564028489 /nfs/dbraw/zinc/02/84/89/564028489.db2.gz QPBRRDORQJJUQY-UHFFFAOYSA-N 0 0 337.473 5.106 50 0 EKAARN CCOC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000045795947 213756332 /nfs/dbraw/zinc/75/63/32/213756332.db2.gz SRWDCDNNYJLAQY-UHFFFAOYSA-N 0 0 331.824 5.149 50 0 EKAARN Clc1ccccc1Oc1nc2ccccc2nc1N1CCCCC1 ZINC000045900700 564063706 /nfs/dbraw/zinc/06/37/06/564063706.db2.gz NMFSFPDWIAGDEB-UHFFFAOYSA-N 0 0 339.826 5.066 50 0 EKAARN Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCCC2)c1 ZINC000045900706 132422010 /nfs/dbraw/zinc/42/20/10/132422010.db2.gz ZCAFXOPOLZZNRC-UHFFFAOYSA-N 0 0 333.435 5.029 50 0 EKAARN Cc1ccc(C)c(Oc2nc3ccccc3nc2N2CCCCC2)c1 ZINC000045900709 132422116 /nfs/dbraw/zinc/42/21/16/132422116.db2.gz SJXHTSBBLUFVEN-UHFFFAOYSA-N 0 0 333.435 5.029 50 0 EKAARN Cc1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1C ZINC000045900712 564063714 /nfs/dbraw/zinc/06/37/14/564063714.db2.gz YATYYRSKSJDQDM-UHFFFAOYSA-N 0 0 333.435 5.029 50 0 EKAARN Clc1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000045900715 132421808 /nfs/dbraw/zinc/42/18/08/132421808.db2.gz LKTNGCCQVJKLCC-UHFFFAOYSA-N 0 0 339.826 5.066 50 0 EKAARN Cc1ccc(C(C)C)c(Oc2nc3ccccc3nc2N2CCCC2)c1 ZINC000045900721 564028766 /nfs/dbraw/zinc/02/87/66/564028766.db2.gz XCGUCSNYDONBBL-UHFFFAOYSA-N 0 0 347.462 5.454 50 0 EKAARN CC(C)(C)c1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000045900724 564028785 /nfs/dbraw/zinc/02/87/85/564028785.db2.gz KETKLVOUCKJUGP-UHFFFAOYSA-N 0 0 347.462 5.320 50 0 EKAARN CC[C@@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCCC1 ZINC000045900730 564028767 /nfs/dbraw/zinc/02/87/67/564028767.db2.gz IGDDLFPLIIMKOJ-MRXNPFEDSA-N 0 0 347.462 5.536 50 0 EKAARN CC[C@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCCC1 ZINC000045900733 564028765 /nfs/dbraw/zinc/02/87/65/564028765.db2.gz IGDDLFPLIIMKOJ-INIZCTEOSA-N 0 0 347.462 5.536 50 0 EKAARN Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCC(C)CC2)c1 ZINC000045900748 564028791 /nfs/dbraw/zinc/02/87/91/564028791.db2.gz NLZZMHPOGBXZEN-UHFFFAOYSA-N 0 0 347.462 5.275 50 0 EKAARN Cc1cccc(Oc2nc3ccccc3nc2N2CCCCCC2)c1C ZINC000045900765 213764783 /nfs/dbraw/zinc/76/47/83/213764783.db2.gz SJNLJCNSOWCBDD-UHFFFAOYSA-N 0 0 347.462 5.419 50 0 EKAARN Cc1cc(C)cc(Oc2nc3ccccc3nc2N2CCCCCC2)c1 ZINC000045900777 213764790 /nfs/dbraw/zinc/76/47/90/213764790.db2.gz MKZSPWUQNJUOFG-UHFFFAOYSA-N 0 0 347.462 5.419 50 0 EKAARN Cc1ccc(C)c(Oc2nc3ccccc3nc2N2CCCCCC2)c1 ZINC000045900780 564028794 /nfs/dbraw/zinc/02/87/94/564028794.db2.gz BWVHHLVGQOGDCO-UHFFFAOYSA-N 0 0 347.462 5.419 50 0 EKAARN Cc1ccc(Oc2nc3ccccc3nc2N2CCCCCC2)cc1C ZINC000045900783 213764755 /nfs/dbraw/zinc/76/47/55/213764755.db2.gz ZWDILJNIJIQUON-UHFFFAOYSA-N 0 0 347.462 5.419 50 0 EKAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(C(C)C)cc1 ZINC000045901188 564028807 /nfs/dbraw/zinc/02/88/07/564028807.db2.gz OYJQEWACXPFLTH-UHFFFAOYSA-N 0 0 349.434 5.064 50 0 EKAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccc(C(C)C)cc1 ZINC000045901491 564028804 /nfs/dbraw/zinc/02/88/04/564028804.db2.gz LJLIDNUAUSTFGP-UHFFFAOYSA-N 0 0 349.434 5.062 50 0 EKAARN Cc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1 ZINC000045925249 213766439 /nfs/dbraw/zinc/76/64/39/213766439.db2.gz VIZCVZJHMHXAOI-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 ZINC000045925285 564028916 /nfs/dbraw/zinc/02/89/16/564028916.db2.gz UQCUUFVZXRYEJG-UHFFFAOYSA-N 0 0 337.473 5.059 50 0 EKAARN C=Cc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 ZINC000045925306 564028903 /nfs/dbraw/zinc/02/89/03/564028903.db2.gz ISPHCKJJTUWGQL-UHFFFAOYSA-N 0 0 349.484 5.393 50 0 EKAARN CCN(C(=O)c1oc2c(cccc2Cl)c1C)c1ccccc1C ZINC000045949803 564028962 /nfs/dbraw/zinc/02/89/62/564028962.db2.gz RTPXLLHUUVURTJ-UHFFFAOYSA-N 0 0 327.811 5.370 50 0 EKAARN Cc1cc(-c2nc3ccccc3o2)ccc1NCc1ccc(Cl)cc1 ZINC000045951664 563929478 /nfs/dbraw/zinc/92/94/78/563929478.db2.gz GSSZZDWTEUXQSA-UHFFFAOYSA-N 0 0 348.833 6.069 50 0 EKAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2Nc1cccc(C)c1 ZINC000046017895 564029203 /nfs/dbraw/zinc/02/92/03/564029203.db2.gz OGGIFJQYEQMXBU-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000046018323 213774189 /nfs/dbraw/zinc/77/41/89/213774189.db2.gz XZBQEBQIYNXDKM-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000046018325 564029237 /nfs/dbraw/zinc/02/92/37/564029237.db2.gz XZBQEBQIYNXDKM-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000046018327 564029236 /nfs/dbraw/zinc/02/92/36/564029236.db2.gz QTTGUBJDHVHXNW-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000046018329 564029245 /nfs/dbraw/zinc/02/92/45/564029245.db2.gz QTTGUBJDHVHXNW-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000046018359 564029232 /nfs/dbraw/zinc/02/92/32/564029232.db2.gz NQALHRPCQUGADG-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000046018361 564029243 /nfs/dbraw/zinc/02/92/43/564029243.db2.gz NQALHRPCQUGADG-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000046018368 202562301 /nfs/dbraw/zinc/56/23/01/202562301.db2.gz GHUOXRRZKMOEQQ-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000046018369 564029235 /nfs/dbraw/zinc/02/92/35/564029235.db2.gz GHUOXRRZKMOEQQ-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000046018384 564029249 /nfs/dbraw/zinc/02/92/49/564029249.db2.gz KDMPCXBHEXHRGY-KRWDZBQOSA-N 0 0 348.368 5.383 50 0 EKAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000046018386 564029238 /nfs/dbraw/zinc/02/92/38/564029238.db2.gz KDMPCXBHEXHRGY-QGZVFWFLSA-N 0 0 348.368 5.383 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000046018435 564029273 /nfs/dbraw/zinc/02/92/73/564029273.db2.gz GPXXXPRHWLOUJL-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000046018437 564029283 /nfs/dbraw/zinc/02/92/83/564029283.db2.gz GPXXXPRHWLOUJL-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000046018447 564029289 /nfs/dbraw/zinc/02/92/89/564029289.db2.gz JMNWXBQBVSRXHZ-KRWDZBQOSA-N 0 0 348.368 5.383 50 0 EKAARN Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000046018449 564029267 /nfs/dbraw/zinc/02/92/67/564029267.db2.gz JMNWXBQBVSRXHZ-QGZVFWFLSA-N 0 0 348.368 5.383 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1Cl ZINC000046018508 564029266 /nfs/dbraw/zinc/02/92/66/564029266.db2.gz ZLWZEEQSEBMMPT-QGZVFWFLSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1Cl ZINC000046018510 564029280 /nfs/dbraw/zinc/02/92/80/564029280.db2.gz ZLWZEEQSEBMMPT-KRWDZBQOSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1ccccc1F ZINC000046018519 213774284 /nfs/dbraw/zinc/77/42/84/213774284.db2.gz HQHJVTMDSADMED-QGZVFWFLSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1ccccc1F ZINC000046018521 564029281 /nfs/dbraw/zinc/02/92/81/564029281.db2.gz HQHJVTMDSADMED-KRWDZBQOSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018551 213773834 /nfs/dbraw/zinc/77/38/34/213773834.db2.gz DWOHVMMGSWTMRY-QGZVFWFLSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018553 564029263 /nfs/dbraw/zinc/02/92/63/564029263.db2.gz DWOHVMMGSWTMRY-KRWDZBQOSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000046018568 202562902 /nfs/dbraw/zinc/56/29/02/202562902.db2.gz BMMCKNGUEIAUKD-QGZVFWFLSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000046018569 564029288 /nfs/dbraw/zinc/02/92/88/564029288.db2.gz BMMCKNGUEIAUKD-KRWDZBQOSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1C ZINC000046018605 202562777 /nfs/dbraw/zinc/56/27/77/202562777.db2.gz WJDLZNGYYLTVEB-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1C ZINC000046018607 564029278 /nfs/dbraw/zinc/02/92/78/564029278.db2.gz WJDLZNGYYLTVEB-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1C ZINC000046018609 564029268 /nfs/dbraw/zinc/02/92/68/564029268.db2.gz ZYROWGFZRKEUNC-GOSISDBHSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1C ZINC000046018610 213774354 /nfs/dbraw/zinc/77/43/54/213774354.db2.gz ZYROWGFZRKEUNC-SFHVURJKSA-N 0 0 328.843 5.326 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1F ZINC000046018627 213773710 /nfs/dbraw/zinc/77/37/10/213773710.db2.gz GVYMLQNSVDABBW-QGZVFWFLSA-N 0 0 332.806 5.157 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1F ZINC000046018629 564029271 /nfs/dbraw/zinc/02/92/71/564029271.db2.gz GVYMLQNSVDABBW-KRWDZBQOSA-N 0 0 332.806 5.157 50 0 EKAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000046018634 564029286 /nfs/dbraw/zinc/02/92/86/564029286.db2.gz HPMNPZVBLZFYDZ-QGZVFWFLSA-N 0 0 344.842 5.026 50 0 EKAARN COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000046018636 564029285 /nfs/dbraw/zinc/02/92/85/564029285.db2.gz HPMNPZVBLZFYDZ-KRWDZBQOSA-N 0 0 344.842 5.026 50 0 EKAARN CCc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000046075854 213779145 /nfs/dbraw/zinc/77/91/45/213779145.db2.gz VIQDFSJEKYISCC-KRWDZBQOSA-N 0 0 333.456 5.452 50 0 EKAARN CCc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000046075857 564029405 /nfs/dbraw/zinc/02/94/05/564029405.db2.gz VIQDFSJEKYISCC-QGZVFWFLSA-N 0 0 333.456 5.452 50 0 EKAARN O=C1C[C@H](c2cc(F)ccc2F)c2scc(-c3ccccc3)c2N1 ZINC000046075924 564029419 /nfs/dbraw/zinc/02/94/19/564029419.db2.gz FNKOZYYSWQJILG-CQSZACIVSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2cc(F)ccc2F)c2scc(-c3ccccc3)c2N1 ZINC000046075927 564029404 /nfs/dbraw/zinc/02/94/04/564029404.db2.gz FNKOZYYSWQJILG-AWEZNQCLSA-N 0 0 341.382 5.167 50 0 EKAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000046075973 564029415 /nfs/dbraw/zinc/02/94/15/564029415.db2.gz TZCBHSPOJFABTA-SFHVURJKSA-N 0 0 347.483 6.013 50 0 EKAARN CC(C)c1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1 ZINC000046075976 564029401 /nfs/dbraw/zinc/02/94/01/564029401.db2.gz TZCBHSPOJFABTA-GOSISDBHSA-N 0 0 347.483 6.013 50 0 EKAARN Cc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(C)cc2)cc1 ZINC000046075980 564029391 /nfs/dbraw/zinc/02/93/91/564029391.db2.gz ONYLOIKDMJVDSN-QGZVFWFLSA-N 0 0 333.456 5.506 50 0 EKAARN Cc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C)cc2)cc1 ZINC000046075983 564029411 /nfs/dbraw/zinc/02/94/11/564029411.db2.gz ONYLOIKDMJVDSN-KRWDZBQOSA-N 0 0 333.456 5.506 50 0 EKAARN CCc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1 ZINC000046075985 202563811 /nfs/dbraw/zinc/56/38/11/202563811.db2.gz FGASVTUURDLUKA-SFHVURJKSA-N 0 0 347.483 5.760 50 0 EKAARN CCc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1 ZINC000046075988 564029397 /nfs/dbraw/zinc/02/93/97/564029397.db2.gz FGASVTUURDLUKA-GOSISDBHSA-N 0 0 347.483 5.760 50 0 EKAARN Cc1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076501 564029400 /nfs/dbraw/zinc/02/94/00/564029400.db2.gz KWZLAVKHZJLKJJ-HNNXBMFYSA-N 0 0 337.419 5.337 50 0 EKAARN Cc1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076504 564029399 /nfs/dbraw/zinc/02/93/99/564029399.db2.gz KWZLAVKHZJLKJJ-OAHLLOKOSA-N 0 0 337.419 5.337 50 0 EKAARN O=C1C[C@H](c2ccc(F)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076683 564029390 /nfs/dbraw/zinc/02/93/90/564029390.db2.gz VEDCUVYWAKQJHB-CQSZACIVSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2ccc(F)cc2)c2scc(-c3ccccc3F)c2N1 ZINC000046076685 213778755 /nfs/dbraw/zinc/77/87/55/213778755.db2.gz VEDCUVYWAKQJHB-AWEZNQCLSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2ccccc2F)c2scc(-c3ccccc3F)c2N1 ZINC000046076697 564029398 /nfs/dbraw/zinc/02/93/98/564029398.db2.gz PVLANKIMJVFLCF-CYBMUJFWSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2ccccc2F)c2scc(-c3ccccc3F)c2N1 ZINC000046076699 213778608 /nfs/dbraw/zinc/77/86/08/213778608.db2.gz PVLANKIMJVFLCF-ZDUSSCGKSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2cccc(F)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076701 213779442 /nfs/dbraw/zinc/77/94/42/213779442.db2.gz JIPRBZGOHKVZIU-CQSZACIVSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2cccc(F)c2)c2scc(-c3ccccc3F)c2N1 ZINC000046076702 213778841 /nfs/dbraw/zinc/77/88/41/213778841.db2.gz JIPRBZGOHKVZIU-AWEZNQCLSA-N 0 0 341.382 5.167 50 0 EKAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076746 213778683 /nfs/dbraw/zinc/77/86/83/213778683.db2.gz BJUZVBCYHYCAQD-INIZCTEOSA-N 0 0 337.419 5.337 50 0 EKAARN Cc1ccccc1[C@H]1CC(=O)Nc2c(-c3cccc(F)c3)csc21 ZINC000046076748 213778864 /nfs/dbraw/zinc/77/88/64/213778864.db2.gz BJUZVBCYHYCAQD-MRXNPFEDSA-N 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/nfs/dbraw/zinc/02/94/29/564029429.db2.gz FEDGZOJADKZMHL-HNNXBMFYSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2ccccc2F)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076915 564029433 /nfs/dbraw/zinc/02/94/33/564029433.db2.gz DCYFZEJIPDUQNL-AWEZNQCLSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2ccccc2F)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076917 564029434 /nfs/dbraw/zinc/02/94/34/564029434.db2.gz DCYFZEJIPDUQNL-CQSZACIVSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2cccc(F)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076919 564029442 /nfs/dbraw/zinc/02/94/42/564029442.db2.gz WTAFBRLGTDXOGS-OAHLLOKOSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2cccc(F)c2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076920 202563125 /nfs/dbraw/zinc/56/31/25/202563125.db2.gz WTAFBRLGTDXOGS-HNNXBMFYSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2cccs2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076958 213779354 /nfs/dbraw/zinc/77/93/54/213779354.db2.gz VCQYPKCPISPBDA-GFCCVEGCSA-N 0 0 329.421 5.090 50 0 EKAARN O=C1C[C@@H](c2cccs2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076959 213779461 /nfs/dbraw/zinc/77/94/61/213779461.db2.gz VCQYPKCPISPBDA-LBPRGKRZSA-N 0 0 329.421 5.090 50 0 EKAARN O=C1C[C@H](c2ccsc2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076961 213779209 /nfs/dbraw/zinc/77/92/09/213779209.db2.gz VTRMSZIWKVFMFN-CYBMUJFWSA-N 0 0 329.421 5.090 50 0 EKAARN O=C1C[C@@H](c2ccsc2)c2scc(-c3cccc(F)c3)c2N1 ZINC000046076962 564029436 /nfs/dbraw/zinc/02/94/36/564029436.db2.gz VTRMSZIWKVFMFN-ZDUSSCGKSA-N 0 0 329.421 5.090 50 0 EKAARN Cc1ccccc1[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)csc21 ZINC000046077003 202563949 /nfs/dbraw/zinc/56/39/49/202563949.db2.gz WKOZCQKJOZMHLJ-INIZCTEOSA-N 0 0 337.419 5.337 50 0 EKAARN Cc1ccccc1[C@H]1CC(=O)Nc2c(-c3ccc(F)cc3)csc21 ZINC000046077005 213778887 /nfs/dbraw/zinc/77/88/87/213778887.db2.gz WKOZCQKJOZMHLJ-MRXNPFEDSA-N 0 0 337.419 5.337 50 0 EKAARN Cc1cccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)csc32)c1 ZINC000046077007 564029428 /nfs/dbraw/zinc/02/94/28/564029428.db2.gz 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564029427 /nfs/dbraw/zinc/02/94/27/564029427.db2.gz SMMNNIJLVCHETJ-AWEZNQCLSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2ccccc2F)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077142 564029446 /nfs/dbraw/zinc/02/94/46/564029446.db2.gz SMMNNIJLVCHETJ-CQSZACIVSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2cccc(F)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077144 564029437 /nfs/dbraw/zinc/02/94/37/564029437.db2.gz LZJWNVLRXIAFQF-HNNXBMFYSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@H](c2cccc(F)c2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077145 564029444 /nfs/dbraw/zinc/02/94/44/564029444.db2.gz LZJWNVLRXIAFQF-OAHLLOKOSA-N 0 0 341.382 5.167 50 0 EKAARN O=C1C[C@@H](c2cccs2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077177 564029454 /nfs/dbraw/zinc/02/94/54/564029454.db2.gz ZYRXBNHMAAEXKH-LBPRGKRZSA-N 0 0 329.421 5.090 50 0 EKAARN O=C1C[C@H](c2cccs2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000046077179 564029441 /nfs/dbraw/zinc/02/94/41/564029441.db2.gz ZYRXBNHMAAEXKH-GFCCVEGCSA-N 0 0 329.421 5.090 50 0 EKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(F)cc3)c2c1 ZINC000046085600 564065300 /nfs/dbraw/zinc/06/53/00/564065300.db2.gz MIRFEGLONUYUDO-UHFFFAOYSA-N 0 0 341.382 5.312 50 0 EKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3C)c2c1 ZINC000046085998 564029543 /nfs/dbraw/zinc/02/95/43/564029543.db2.gz NQFNLVYZORVLMZ-UHFFFAOYSA-N 0 0 337.419 5.481 50 0 EKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3F)c2c1 ZINC000046086020 564029540 /nfs/dbraw/zinc/02/95/40/564029540.db2.gz GEIGDPYEQBRDHV-UHFFFAOYSA-N 0 0 341.382 5.312 50 0 EKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(C)c3)c2c1 ZINC000046086082 564029578 /nfs/dbraw/zinc/02/95/78/564029578.db2.gz INYHJIHRAUSIPS-UHFFFAOYSA-N 0 0 337.419 5.481 50 0 EKAARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)cc3)c2c1 ZINC000046086255 564029577 /nfs/dbraw/zinc/02/95/77/564029577.db2.gz NZAWRWNPLNTVLW-UHFFFAOYSA-N 0 0 337.419 5.481 50 0 EKAARN O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000046914787 564025628 /nfs/dbraw/zinc/02/56/28/564025628.db2.gz PIMDLDHZCJJUIQ-CQSZACIVSA-N 0 0 339.432 5.040 50 0 EKAARN O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccsc1 ZINC000046914792 564025609 /nfs/dbraw/zinc/02/56/09/564025609.db2.gz PIMDLDHZCJJUIQ-AWEZNQCLSA-N 0 0 339.432 5.040 50 0 EKAARN CC(C)N(Cc1cccnc1)C(=O)c1sc2ccccc2c1Cl ZINC000047423159 204337734 /nfs/dbraw/zinc/33/77/34/204337734.db2.gz ZSUCYRBHRGRXFI-UHFFFAOYSA-N 0 0 344.867 5.001 50 0 EKAARN O=Cc1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000047844040 563929807 /nfs/dbraw/zinc/92/98/07/563929807.db2.gz CZLILUAZTIVSEI-UHFFFAOYSA-N 0 0 349.242 5.143 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSCc1ccccn1 ZINC000048210403 564030050 /nfs/dbraw/zinc/03/00/50/564030050.db2.gz AIHUXSHBMQZIIZ-UHFFFAOYSA-N 0 0 342.508 5.200 50 0 EKAARN Clc1ccc2nc(NCc3ccco3)cc(-c3ccccc3)c2c1 ZINC000048229434 213897252 /nfs/dbraw/zinc/89/72/52/213897252.db2.gz TXIZONBSQVFMQE-UHFFFAOYSA-N 0 0 334.806 5.760 50 0 EKAARN Fc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c(F)c1F ZINC000048234629 564030139 /nfs/dbraw/zinc/03/01/39/564030139.db2.gz GPGQWMOAHOFYCF-UHFFFAOYSA-N 0 0 338.716 5.024 50 0 EKAARN Cc1ccc(-c2nc(CN(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237042 564030167 /nfs/dbraw/zinc/03/01/67/564030167.db2.gz SXNFOWZTVWQJTO-BLLLJJGKSA-N 0 0 342.464 5.060 50 0 EKAARN Cc1ccc(-c2nc(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237044 564030197 /nfs/dbraw/zinc/03/01/97/564030197.db2.gz SXNFOWZTVWQJTO-LRDDRELGSA-N 0 0 342.464 5.060 50 0 EKAARN c1cc(-c2noc(CNc3ccccc3Oc3ccccc3)n2)cs1 ZINC000048261177 564030321 /nfs/dbraw/zinc/03/03/21/564030321.db2.gz MBAKXXQWAMNZHR-UHFFFAOYSA-N 0 0 349.415 5.203 50 0 EKAARN Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000048261304 564030285 /nfs/dbraw/zinc/03/02/85/564030285.db2.gz YYNPBUMQBIIOQJ-HXUWFJFHSA-N 0 0 336.410 5.126 50 0 EKAARN Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000048261306 564030309 /nfs/dbraw/zinc/03/03/09/564030309.db2.gz YYNPBUMQBIIOQJ-FQEVSTJZSA-N 0 0 336.410 5.126 50 0 EKAARN Clc1ccccc1[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000048262083 564030361 /nfs/dbraw/zinc/03/03/61/564030361.db2.gz SOBDFAZIERZEKC-INIZCTEOSA-N 0 0 344.867 5.394 50 0 EKAARN Clc1ccccc1[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000048262085 564030346 /nfs/dbraw/zinc/03/03/46/564030346.db2.gz SOBDFAZIERZEKC-MRXNPFEDSA-N 0 0 344.867 5.394 50 0 EKAARN c1c(CSC2=Nc3ccccc3CS2)noc1-c1ccccc1 ZINC000048276391 564030599 /nfs/dbraw/zinc/03/05/99/564030599.db2.gz NXTVICMXQOFSGG-UHFFFAOYSA-N 0 0 338.457 5.509 50 0 EKAARN CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 ZINC000048278004 213909194 /nfs/dbraw/zinc/90/91/94/213909194.db2.gz SMSWMYYZVSDVOX-OAHLLOKOSA-N 0 0 348.899 5.035 50 0 EKAARN CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)s1 ZINC000048278008 213909114 /nfs/dbraw/zinc/90/91/14/213909114.db2.gz SMSWMYYZVSDVOX-HNNXBMFYSA-N 0 0 348.899 5.035 50 0 EKAARN Clc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000048278127 564030640 /nfs/dbraw/zinc/03/06/40/564030640.db2.gz YMWSJXOWFKGEPY-QGZVFWFLSA-N 0 0 344.867 5.394 50 0 EKAARN Clc1ccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000048278130 564030625 /nfs/dbraw/zinc/03/06/25/564030625.db2.gz YMWSJXOWFKGEPY-KRWDZBQOSA-N 0 0 344.867 5.394 50 0 EKAARN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cnc(Cl)c(Cl)c1 ZINC000048279716 132427214 /nfs/dbraw/zinc/42/72/14/132427214.db2.gz FTQRRBNMDDBEOW-UHFFFAOYSA-N 0 0 349.261 5.105 50 0 EKAARN Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)c(C)c1 ZINC000048285791 564030701 /nfs/dbraw/zinc/03/07/01/564030701.db2.gz NDVLXZMGJFVHHR-LJQANCHMSA-N 0 0 338.476 5.357 50 0 EKAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)c(C)c1 ZINC000048285793 564030684 /nfs/dbraw/zinc/03/06/84/564030684.db2.gz NDVLXZMGJFVHHR-IBGZPJMESA-N 0 0 338.476 5.357 50 0 EKAARN O=C(NCc1ccccc1)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000048289971 564030567 /nfs/dbraw/zinc/03/05/67/564030567.db2.gz OBJFVUXOLSRCEP-RCCKNPSSSA-N 0 0 347.845 5.197 50 0 EKAARN CCc1cccc2c(-c3csc(Cc4csc(C)n4)n3)c[nH]c21 ZINC000048290209 213913198 /nfs/dbraw/zinc/91/31/98/213913198.db2.gz PHVADMBAFAVJBH-UHFFFAOYSA-N 0 0 339.489 5.210 50 0 EKAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000048290977 564030549 /nfs/dbraw/zinc/03/05/49/564030549.db2.gz MQZZKIMAGJITCQ-OAHLLOKOSA-N 0 0 348.899 5.206 50 0 EKAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000048290978 564030557 /nfs/dbraw/zinc/03/05/57/564030557.db2.gz MQZZKIMAGJITCQ-HNNXBMFYSA-N 0 0 348.899 5.206 50 0 EKAARN C[C@H](N(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1)C(C)(C)C ZINC000048302116 564030849 /nfs/dbraw/zinc/03/08/49/564030849.db2.gz GFWGKNCGCXWETG-LBPRGKRZSA-N 0 0 342.464 5.063 50 0 EKAARN C[C@@H](N(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1)C(C)(C)C ZINC000048302117 564030860 /nfs/dbraw/zinc/03/08/60/564030860.db2.gz GFWGKNCGCXWETG-GFCCVEGCSA-N 0 0 342.464 5.063 50 0 EKAARN Cc1c2cccc(Cl)c2oc1C(=O)N(Cc1ccccc1)C1CC1 ZINC000048309092 213918148 /nfs/dbraw/zinc/91/81/48/213918148.db2.gz GUIOGSKYJCMDOK-UHFFFAOYSA-N 0 0 339.822 5.199 50 0 EKAARN Cc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1 ZINC000048310200 204345613 /nfs/dbraw/zinc/34/56/13/204345613.db2.gz WTXRXNOJUZAEDI-UHFFFAOYSA-N 0 0 333.416 5.162 50 0 EKAARN Cc1nc(C)c(C(=O)Nc2ccc(SC3CCCC3)cc2)s1 ZINC000048312476 213919292 /nfs/dbraw/zinc/91/92/92/213919292.db2.gz JKUGEAVAMHXAOL-UHFFFAOYSA-N 0 0 332.494 5.047 50 0 EKAARN c1nc(CSc2ncc(-c3ccccc3)o2)oc1-c1ccccc1 ZINC000048314734 564030897 /nfs/dbraw/zinc/03/08/97/564030897.db2.gz DOSKMXJRXLQXOA-UHFFFAOYSA-N 0 0 334.400 5.289 50 0 EKAARN CC(C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000048325074 564030973 /nfs/dbraw/zinc/03/09/73/564030973.db2.gz FMGFIWOGTSTCJG-AWEZNQCLSA-N 0 0 342.386 5.286 50 0 EKAARN CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000048325075 564031004 /nfs/dbraw/zinc/03/10/04/564031004.db2.gz FMGFIWOGTSTCJG-CQSZACIVSA-N 0 0 342.386 5.286 50 0 EKAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1Cl ZINC000048326101 564031006 /nfs/dbraw/zinc/03/10/06/564031006.db2.gz UKMZGCGNTGXKSW-UHFFFAOYSA-N 0 0 346.839 5.234 50 0 EKAARN CC(C)(C)[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000048332421 564031176 /nfs/dbraw/zinc/03/11/76/564031176.db2.gz FDMVQKUDTWYMDJ-MRXNPFEDSA-N 0 0 335.369 5.223 50 0 EKAARN CC(C)(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000048332422 564031159 /nfs/dbraw/zinc/03/11/59/564031159.db2.gz FDMVQKUDTWYMDJ-INIZCTEOSA-N 0 0 335.369 5.223 50 0 EKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@@H](C)c1cccs1 ZINC000048340089 564031209 /nfs/dbraw/zinc/03/12/09/564031209.db2.gz MOUJSVDNRQRJQM-LBPRGKRZSA-N 0 0 344.867 5.091 50 0 EKAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)[C@H](C)c1cccs1 ZINC000048340091 213924936 /nfs/dbraw/zinc/92/49/36/213924936.db2.gz MOUJSVDNRQRJQM-GFCCVEGCSA-N 0 0 344.867 5.091 50 0 EKAARN Cc1ccc(-c2cc(C(=O)N(C)CC3CC3)c3ccccc3n2)c(C)c1 ZINC000048343333 564031245 /nfs/dbraw/zinc/03/12/45/564031245.db2.gz NVMFHHVBFVVIJD-UHFFFAOYSA-N 0 0 344.458 5.001 50 0 EKAARN FC(F)(F)c1ccc2ccc(Oc3nc4ccccc4o3)cc2n1 ZINC000048354384 564031358 /nfs/dbraw/zinc/03/13/58/564031358.db2.gz ZNUVOMAUFULCTN-UHFFFAOYSA-N 0 0 330.265 5.187 50 0 EKAARN CC(C)c1ccc(NC(=O)N(C)Cc2ccc(O)cc2)c(C(C)C)c1 ZINC000048361951 204350918 /nfs/dbraw/zinc/35/09/18/204350918.db2.gz 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CC1=CC[C@H](c2nc3ccccc3[nH]2)[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000048520956 564129234 /nfs/dbraw/zinc/12/92/34/564129234.db2.gz JMJFWZBAZXJMAB-GJZGRUSLSA-N 0 0 328.419 5.047 50 0 EKAARN CC1=CC[C@@H](c2nc3ccccc3[nH]2)[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000048520957 564129261 /nfs/dbraw/zinc/12/92/61/564129261.db2.gz JMJFWZBAZXJMAB-CABCVRRESA-N 0 0 328.419 5.047 50 0 EKAARN O=C1C(c2ccccc2)C(c2ccccc2)=C2c3ccccc3N=CN12 ZINC000048522955 564129237 /nfs/dbraw/zinc/12/92/37/564129237.db2.gz CXTFQSAIFOVISE-UHFFFAOYSA-N 0 0 336.394 5.527 50 0 EKAARN CC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1ccc1ccccc12 ZINC000048523592 564129280 /nfs/dbraw/zinc/12/92/80/564129280.db2.gz QMWIVQDSFKJICT-UHFFFAOYSA-N 0 0 347.801 5.180 50 0 EKAARN CCOC(=O)Nc1nc2cc(C=Cc3ccc(C(C)C)cc3)ccc2[nH]1 ZINC000048523815 564129282 /nfs/dbraw/zinc/12/92/82/564129282.db2.gz FJYCHXUFWZIORF-AATRIKPKSA-N 0 0 349.434 5.425 50 0 EKAARN c1ccc([C@H]2c3ccccc3NC=C2c2ccc3ccccc3n2)nc1 ZINC000048523929 564129295 /nfs/dbraw/zinc/12/92/95/564129295.db2.gz 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ZINC000048533697 564129310 /nfs/dbraw/zinc/12/93/10/564129310.db2.gz MXZAANQTQAKDRX-AZRAODJOSA-N 0 0 344.845 5.267 50 0 EKAARN Clc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N32)cc1 ZINC000048533698 564129309 /nfs/dbraw/zinc/12/93/09/564129309.db2.gz MXZAANQTQAKDRX-YKSPXJAFSA-N 0 0 344.845 5.267 50 0 EKAARN Clc1ccc([C@@H]2N=C(c3ccccc3)[C@H]3[C@H](c4ccccc4)N32)cc1 ZINC000048533701 564129305 /nfs/dbraw/zinc/12/93/05/564129305.db2.gz MXZAANQTQAKDRX-SVKILVKPSA-N 0 0 344.845 5.267 50 0 EKAARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000048534124 564031798 /nfs/dbraw/zinc/03/17/98/564031798.db2.gz NMUVXRXYLCYYNZ-ZRDIBKRKSA-N 0 0 337.806 5.560 50 0 EKAARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)NC1CCCCC1 ZINC000048534146 564031788 /nfs/dbraw/zinc/03/17/88/564031788.db2.gz UBYYRYQUEWFAMP-ZRDIBKRKSA-N 0 0 329.827 5.062 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccccc2C(F)(F)F)o1)NC1CCCC1 ZINC000048534165 564129323 /nfs/dbraw/zinc/12/93/23/564129323.db2.gz GVOSJKHNBCIKGE-ZRDIBKRKSA-N 0 0 349.352 5.037 50 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GYRIUDYIOOWUGL-ZRDIBKRKSA-N 0 0 348.789 5.124 50 0 EKAARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccs3)s2)cc1 ZINC000048544738 564129338 /nfs/dbraw/zinc/12/93/38/564129338.db2.gz MEZRRBSASGNWFA-PKNBQFBNSA-N 0 0 325.458 5.437 50 0 EKAARN CCC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000048544848 564031846 /nfs/dbraw/zinc/03/18/46/564031846.db2.gz WLKOHCQALJTPHN-UHFFFAOYSA-N 0 0 337.206 5.230 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccsc2)s1)OCc1ccccc1 ZINC000048545145 564031848 /nfs/dbraw/zinc/03/18/48/564031848.db2.gz PRKVAQQYKKLLDW-VQHVLOKHSA-N 0 0 326.442 5.233 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccco2)s1)Nc1ccccc1Cl ZINC000048545227 564031828 /nfs/dbraw/zinc/03/18/28/564031828.db2.gz YICPHGRZDZZPQE-CSKARUKUSA-N 0 0 329.808 5.313 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccco2)s1)OCc1ccc(Cl)cc1 ZINC000048545249 564031844 /nfs/dbraw/zinc/03/18/44/564031844.db2.gz IYAMCDUPPTULNC-CSKARUKUSA-N 0 0 344.819 5.418 50 0 EKAARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)OCc1ccccc1 ZINC000048545257 564031842 /nfs/dbraw/zinc/03/18/42/564031842.db2.gz GJKXXTBLOMXXPY-ACCUITESSA-N 0 0 338.790 5.357 50 0 EKAARN COc1ccc(-c2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1Cl ZINC000048545726 564129395 /nfs/dbraw/zinc/12/93/95/564129395.db2.gz PQJQVCQKIQYMPV-UHFFFAOYSA-N 0 0 349.213 5.938 50 0 EKAARN Cc1cc(C)n(C(=O)Nc2ccc(Cl)cc2Oc2ccccc2)n1 ZINC000048545858 564129388 /nfs/dbraw/zinc/12/93/88/564129388.db2.gz MVEZZTDYGNNYDL-UHFFFAOYSA-N 0 0 341.798 5.026 50 0 EKAARN O=C(CCc1ccccc1Cl)Nc1c(Cl)cccc1Cl ZINC000048545873 563930605 /nfs/dbraw/zinc/93/06/05/563930605.db2.gz ATRFHSRVHSBMBD-UHFFFAOYSA-N 0 0 328.626 5.218 50 0 EKAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000048546017 564129369 /nfs/dbraw/zinc/12/93/69/564129369.db2.gz LTNXWABNVDBCPA-KPKJPENVSA-N 0 0 329.374 5.049 50 0 EKAARN O=C(C=CCNc1ccc(Cl)cc1)C=Nc1ccc(Cl)cc1 ZINC000048546676 564129382 /nfs/dbraw/zinc/12/93/82/564129382.db2.gz SJTSVJBEDUNJCB-YLXFQFRCSA-N 0 0 333.218 5.763 50 0 EKAARN Cc1[nH]c2ccccc2c1C(=O)/C=C/c1c(O)ccc2ccccc21 ZINC000048552327 564129416 /nfs/dbraw/zinc/12/94/16/564129416.db2.gz FCRVYWQTTHNWLK-ACCUITESSA-N 0 0 327.383 5.231 50 0 EKAARN Clc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccn2)cc1 ZINC000048552991 564129418 /nfs/dbraw/zinc/12/94/18/564129418.db2.gz XLAYIPGGGIRSAO-UHFFFAOYSA-N 0 0 331.806 5.255 50 0 EKAARN CC(C)(C)c1ccc(C2=CSC(c3ccccc3Cl)=NN2)cc1 ZINC000048554775 564129406 /nfs/dbraw/zinc/12/94/06/564129406.db2.gz YKVJNDTYJPRVBE-UHFFFAOYSA-N 0 0 342.895 5.634 50 0 EKAARN c1sc(N(C2=NCCS2)c2ccccc2)nc1-c1ccccc1 ZINC000048555043 564129425 /nfs/dbraw/zinc/12/94/25/564129425.db2.gz UBXVIMIWPIEWKK-UHFFFAOYSA-N 0 0 337.473 5.051 50 0 EKAARN S=C1Nc2ccc3ccccc3c2-c2c(ccc3ccccc32)N1 ZINC000048660967 563930650 /nfs/dbraw/zinc/93/06/50/563930650.db2.gz VPXYLHLDNRBKFM-UHFFFAOYSA-N 0 0 326.424 5.782 50 0 EKAARN Cc1sc(-c2ccccc2O)nc1-c1ccc(Br)cc1 ZINC000048785622 564032275 /nfs/dbraw/zinc/03/22/75/564032275.db2.gz PZKQKUDZGSZBMF-UHFFFAOYSA-N 0 0 346.249 5.254 50 0 EKAARN Cc1ccccc1CSc1nccn2nc(-c3cccs3)cc12 ZINC000048990912 564032378 /nfs/dbraw/zinc/03/23/78/564032378.db2.gz MZGKMFVQVBDXFI-UHFFFAOYSA-N 0 0 337.473 5.059 50 0 EKAARN CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)cc2)n1 ZINC000049070819 563930659 /nfs/dbraw/zinc/93/06/59/563930659.db2.gz WVAKRQOMAINQPU-UHFFFAOYSA-N 0 0 333.479 5.236 50 0 in-vitro EKAARN Brc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000049089009 564032492 /nfs/dbraw/zinc/03/24/92/564032492.db2.gz XEJLEAPLNQOYLF-UHFFFAOYSA-N 0 0 341.292 6.070 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000049543958 214015056 /nfs/dbraw/zinc/01/50/56/214015056.db2.gz PQNDPBTXWUVCIA-NSHDSACASA-N 0 0 338.238 5.069 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000049543960 214015279 /nfs/dbraw/zinc/01/52/79/214015279.db2.gz PQNDPBTXWUVCIA-LLVKDONJSA-N 0 0 338.238 5.069 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1c(Cl)cccc1Cl ZINC000049546348 202624833 /nfs/dbraw/zinc/62/48/33/202624833.db2.gz WRIAOLYKIFECKW-SECBINFHSA-N 0 0 338.238 5.069 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1c(Cl)cccc1Cl ZINC000049546350 214016867 /nfs/dbraw/zinc/01/68/67/214016867.db2.gz WRIAOLYKIFECKW-VIFPVBQESA-N 0 0 338.238 5.069 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 ZINC000049548287 214017466 /nfs/dbraw/zinc/01/74/66/214017466.db2.gz FENZDRMFILRNGR-CQSZACIVSA-N 0 0 335.407 5.022 50 0 EKAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1 ZINC000049548288 564032771 /nfs/dbraw/zinc/03/27/71/564032771.db2.gz FENZDRMFILRNGR-AWEZNQCLSA-N 0 0 335.407 5.022 50 0 EKAARN Brc1cccc(-c2nc3ccccc3n2-c2ccccc2)c1 ZINC000049588495 214021829 /nfs/dbraw/zinc/02/18/29/214021829.db2.gz YFUWVSPCUFTGQN-UHFFFAOYSA-N 0 0 349.231 5.455 50 0 EKAARN CC(C)(C)C1CCC(C(=O)Oc2ccc(Br)cc2)CC1 ZINC000049992039 214039626 /nfs/dbraw/zinc/03/96/26/214039626.db2.gz YRINOZBDRAJISX-UHFFFAOYSA-N 0 0 339.273 5.207 50 0 EKAARN C[C@H](Nc1ccc(NC(=O)c2ccc[nH]c2=S)cc1)c1ccccc1 ZINC000050005241 563987930 /nfs/dbraw/zinc/98/79/30/563987930.db2.gz STDQDMBOGRNWGZ-AWEZNQCLSA-N 0 0 349.459 5.170 50 0 EKAARN C[C@@H](Nc1ccc(NC(=O)c2ccc[nH]c2=S)cc1)c1ccccc1 ZINC000050005243 563987895 /nfs/dbraw/zinc/98/78/95/563987895.db2.gz STDQDMBOGRNWGZ-CQSZACIVSA-N 0 0 349.459 5.170 50 0 EKAARN O=C(OC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000050073037 214043984 /nfs/dbraw/zinc/04/39/84/214043984.db2.gz BJQGTYBXVXJFTR-UHFFFAOYSA-N 0 0 331.415 5.391 50 0 EKAARN COc1ccc(/C=C2/CCCC3=C2CO[C@@H]3c2ccc(OC)cc2)cc1 ZINC000051330047 214088872 /nfs/dbraw/zinc/08/88/72/214088872.db2.gz WYRYRDDQXIQAGU-INTAXFPDSA-N 0 0 348.442 5.339 50 0 EKAARN COc1ccc(/C=C2/CCCC3=C2CO[C@H]3c2ccc(OC)cc2)cc1 ZINC000051330049 564025152 /nfs/dbraw/zinc/02/51/52/564025152.db2.gz WYRYRDDQXIQAGU-JRTNDBBKSA-N 0 0 348.442 5.339 50 0 EKAARN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21C[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000051330148 564025189 /nfs/dbraw/zinc/02/51/89/564025189.db2.gz LJGRSEJSOKZMJP-FAYOUJPWSA-N 0 0 330.471 5.853 50 0 EKAARN CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000051330155 564025228 /nfs/dbraw/zinc/02/52/28/564025228.db2.gz GCNYNIFGFLMTNT-QHCPKHFHSA-N 0 0 342.442 5.441 50 0 EKAARN CCOc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 ZINC000051330157 214089072 /nfs/dbraw/zinc/08/90/72/214089072.db2.gz GCNYNIFGFLMTNT-HSZRJFAPSA-N 0 0 342.442 5.441 50 0 EKAARN CC(=O)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000051330204 214089261 /nfs/dbraw/zinc/08/92/61/214089261.db2.gz OLXNSHPFGPYREK-UHFFFAOYSA-N 0 0 337.422 6.014 50 0 EKAARN O=C1[C@@]2(C[C@@H]2c2ccc(F)cc2)CCC[C@@]12C[C@@H]2c1ccc(F)cc1 ZINC000051330237 214088967 /nfs/dbraw/zinc/08/89/67/214088967.db2.gz JCDLEAKSDWPKHB-CZAYHTPWSA-N 0 0 338.397 5.365 50 0 EKAARN O=C1[C@@]2(C[C@@H]2c2ccc(F)cc2)CCC[C@]12C[C@H]2c1ccc(F)cc1 ZINC000051330239 214088554 /nfs/dbraw/zinc/08/85/54/214088554.db2.gz JCDLEAKSDWPKHB-NPDDRXJXSA-N 0 0 338.397 5.365 50 0 EKAARN O=C1[C@@]2(C[C@@H]2c2ccc(F)cc2)CCC[C@]12C[C@@H]2c1ccc(F)cc1 ZINC000051330241 214088634 /nfs/dbraw/zinc/08/86/34/214088634.db2.gz JCDLEAKSDWPKHB-UGESXGAOSA-N 0 0 338.397 5.365 50 0 EKAARN Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2cccc(F)c2)c1 ZINC000051331133 132181300 /nfs/dbraw/zinc/18/13/00/132181300.db2.gz QFWROQXHORHFMR-OAQYLSRUSA-N 0 0 346.405 5.214 50 0 EKAARN Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(F)c2)c1 ZINC000051331135 132181345 /nfs/dbraw/zinc/18/13/45/132181345.db2.gz QFWROQXHORHFMR-NRFANRHFSA-N 0 0 346.405 5.214 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000051354143 214090131 /nfs/dbraw/zinc/09/01/31/214090131.db2.gz FLXRXUXQARWMGH-UHFFFAOYSA-N 0 0 332.403 5.740 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C ZINC000051354146 564028503 /nfs/dbraw/zinc/02/85/03/564028503.db2.gz UKNKEZPSNUUXNZ-UHFFFAOYSA-N 0 0 344.414 5.178 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000051354183 214090026 /nfs/dbraw/zinc/09/00/26/214090026.db2.gz NMLLXCQHSYMOJZ-UHFFFAOYSA-N 0 0 333.229 5.018 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1C ZINC000051354184 564028541 /nfs/dbraw/zinc/02/85/41/564028541.db2.gz VEFODXYFAJTGQQ-UHFFFAOYSA-N 0 0 333.229 5.018 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(Br)c1 ZINC000051354187 214090137 /nfs/dbraw/zinc/09/01/37/214090137.db2.gz ICSQRGCJOHSQFR-UHFFFAOYSA-N 0 0 333.229 5.018 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000051354193 214089925 /nfs/dbraw/zinc/08/99/25/214089925.db2.gz IGXJFLXNYNUOBV-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C ZINC000051354194 214090168 /nfs/dbraw/zinc/09/01/68/214090168.db2.gz WQCVTFZSMMKSFI-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN CSc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000051354208 214090456 /nfs/dbraw/zinc/09/04/56/214090456.db2.gz QNJLOOAUSFBEEZ-UHFFFAOYSA-N 0 0 326.343 5.071 50 0 EKAARN O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000051354226 214089917 /nfs/dbraw/zinc/08/99/17/214089917.db2.gz GNDQBNZLGJXPIA-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN O=C(Nc1cc(F)ccc1Cl)Nc1ccccc1C(F)(F)F ZINC000051354228 214090273 /nfs/dbraw/zinc/09/02/73/214090273.db2.gz JAUMWFNGUZPOOR-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000051354229 214089986 /nfs/dbraw/zinc/08/99/86/214089986.db2.gz ISAKQRCYEILCKX-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1cccc(Cl)c1F)Nc1ccccc1C(F)(F)F ZINC000051354230 564028625 /nfs/dbraw/zinc/02/86/25/564028625.db2.gz GKKRXARZIGWNSH-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1ccc(Cl)cc1F)Nc1ccccc1C(F)(F)F ZINC000051354231 214089704 /nfs/dbraw/zinc/08/97/04/214089704.db2.gz UQFHXHWUCNKIHA-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN O=C(Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000051354234 214090201 /nfs/dbraw/zinc/09/02/01/214090201.db2.gz DXDCYRXSSHUKNP-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F ZINC000051354235 563931806 /nfs/dbraw/zinc/93/18/06/563931806.db2.gz BWMZIYBWHQCAMJ-UHFFFAOYSA-N 0 0 348.246 5.368 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000051354242 214090185 /nfs/dbraw/zinc/09/01/85/214090185.db2.gz LQCIPMINQLWSAH-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000051354243 564028691 /nfs/dbraw/zinc/02/86/91/564028691.db2.gz CGAUPPBBEIQFKL-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000051354247 214089904 /nfs/dbraw/zinc/08/99/04/214089904.db2.gz JZOPSFRBFIGPDD-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000051354249 214090343 /nfs/dbraw/zinc/09/03/43/214090343.db2.gz UBWQEZHKBRMENH-UHFFFAOYSA-N 0 0 344.720 5.011 50 0 EKAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000051354250 564028700 /nfs/dbraw/zinc/02/87/00/564028700.db2.gz FVPSPYBASVDORB-UHFFFAOYSA-N 0 0 344.720 5.011 50 0 EKAARN Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl ZINC000051354256 564028737 /nfs/dbraw/zinc/02/87/37/564028737.db2.gz MSLOPIPTWXLAKF-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN O=C(Nc1cc(Cl)ccc1F)Nc1ccccc1C(F)(F)F ZINC000051354258 564028741 /nfs/dbraw/zinc/02/87/41/564028741.db2.gz CBNZJCNPLRXAKG-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN Cc1cc(C)c(NC(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000051354318 214089843 /nfs/dbraw/zinc/08/98/43/214089843.db2.gz NYAHQRCQIKVFDZ-UHFFFAOYSA-N 0 0 333.229 5.018 50 0 EKAARN CC(C)c1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000051354321 214089901 /nfs/dbraw/zinc/08/99/01/214089901.db2.gz HPBHNKJVKPPOMB-UHFFFAOYSA-N 0 0 333.229 5.217 50 0 EKAARN CC(C)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000051354322 564028707 /nfs/dbraw/zinc/02/87/07/564028707.db2.gz WPDOUIQALJNKLT-UHFFFAOYSA-N 0 0 333.229 5.217 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(Br)c1 ZINC000051354366 214089990 /nfs/dbraw/zinc/08/99/90/214089990.db2.gz CVVAVPAPBDCEPS-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)Nc1cccc(Br)c1 ZINC000051354367 214090270 /nfs/dbraw/zinc/09/02/70/214090270.db2.gz ZIFNODIHBXMBPW-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1cccc(Cl)c1NC(=O)Nc1cccc(Br)c1 ZINC000051354368 214090337 /nfs/dbraw/zinc/09/03/37/214090337.db2.gz ANIJMRFTALHINM-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1ccc(NC(=O)Nc2cccc(Br)c2)c(Cl)c1 ZINC000051354372 214089892 /nfs/dbraw/zinc/08/98/92/214089892.db2.gz IOJRACMILODSHW-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN Cc1cc(NC(=O)Nc2cccc(Br)c2)ccc1Cl ZINC000051354386 214089606 /nfs/dbraw/zinc/08/96/06/214089606.db2.gz XRGDKTJVHYRSDW-UHFFFAOYSA-N 0 0 339.620 5.055 50 0 EKAARN O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cc(F)ccc1F ZINC000051354405 564028985 /nfs/dbraw/zinc/02/89/85/564028985.db2.gz UNVFWEYSIJWPJZ-UHFFFAOYSA-N 0 0 340.329 5.401 50 0 EKAARN Cc1c(F)cccc1NC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000051354510 564029026 /nfs/dbraw/zinc/02/90/26/564029026.db2.gz XYJACZPOUOLPQZ-UHFFFAOYSA-N 0 0 348.377 5.009 50 0 EKAARN Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000051354565 214090392 /nfs/dbraw/zinc/09/03/92/214090392.db2.gz NINVTFDCAQTMCM-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000051354566 564029100 /nfs/dbraw/zinc/02/91/00/564029100.db2.gz KZUMQRNIWAXSDQ-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN COc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000051355839 214089828 /nfs/dbraw/zinc/08/98/28/214089828.db2.gz CSDUEKKHTAWWRU-UHFFFAOYSA-N 0 0 348.402 5.440 50 0 EKAARN CCOc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000051355978 214090113 /nfs/dbraw/zinc/09/01/13/214090113.db2.gz IZQFDIRHJJDQCI-UHFFFAOYSA-N 0 0 325.195 5.036 50 0 EKAARN CCCCCC1CCC(c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000051445180 214093931 /nfs/dbraw/zinc/09/39/31/214093931.db2.gz ABRCJJRBIGVAIO-UHFFFAOYSA-N 0 0 343.511 5.013 50 0 EKAARN COc1cc2c(cc1NC(=O)CCc1ccccc1)oc1ccccc12 ZINC000051514478 214097004 /nfs/dbraw/zinc/09/70/04/214097004.db2.gz VGULHZLFVHCFAF-UHFFFAOYSA-N 0 0 345.398 5.166 50 0 EKAARN COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1 ZINC000051943576 214110497 /nfs/dbraw/zinc/11/04/97/214110497.db2.gz KGHTYPVKRDRRBL-UHFFFAOYSA-N 0 0 348.023 5.557 50 0 EKAARN CCOC(=O)c1sc(N(c2ccccc2)c2ccccc2)nc1C ZINC000052508091 214131255 /nfs/dbraw/zinc/13/12/55/214131255.db2.gz PLGWKBXYWOPZKR-UHFFFAOYSA-N 0 0 338.432 5.098 50 0 EKAARN O=Cc1c2cc(OCc3c(F)cccc3Cl)ccc2oc1C1CC1 ZINC000052530500 214132818 /nfs/dbraw/zinc/13/28/18/214132818.db2.gz VNRIGTINNWVQES-UHFFFAOYSA-N 0 0 344.769 5.494 50 0 EKAARN CCCCN1COc2c3ccccc3c3oc(C)c(C(C)=O)c3c2C1 ZINC000053184454 214168594 /nfs/dbraw/zinc/16/85/94/214168594.db2.gz XWGYEOAKZMISOP-UHFFFAOYSA-N 0 0 337.419 5.049 50 0 EKAARN S=C1N=C2C(=Cc3cccs3)CCCC2[C@H](c2cccs2)N1 ZINC000053598544 214190047 /nfs/dbraw/zinc/19/00/47/214190047.db2.gz DFVOJYCFQPZRSP-BLIJAFNYSA-N 0 0 344.530 5.261 50 0 EKAARN S=C1N=C2C(=Cc3cccs3)CCCC2[C@@H](c2cccs2)N1 ZINC000053598546 564082115 /nfs/dbraw/zinc/08/21/15/564082115.db2.gz DFVOJYCFQPZRSP-SNGWPZLWSA-N 0 0 344.530 5.261 50 0 EKAARN CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 ZINC000053943997 214205271 /nfs/dbraw/zinc/20/52/71/214205271.db2.gz XDGVNPMOIYQSFP-UHFFFAOYSA-N 0 0 348.446 5.311 50 0 EKAARN CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C2CCCC2)C1 ZINC000054114203 214216432 /nfs/dbraw/zinc/21/64/32/214216432.db2.gz CRAHWOUKUCXTET-UHFFFAOYSA-N 0 0 349.430 5.192 50 0 EKAARN Fc1cc(F)c2nccc(Nc3ccc(Br)cc3)c2c1 ZINC000054202448 214225334 /nfs/dbraw/zinc/22/53/34/214225334.db2.gz HKTOXYSVEOMBSA-UHFFFAOYSA-N 0 0 335.151 5.019 50 0 EKAARN Cc1cccc(C)c1NC(=S)Nc1ccccc1-c1cccs1 ZINC000054296444 214230468 /nfs/dbraw/zinc/23/04/68/214230468.db2.gz MFRDKCPPVHNQMP-UHFFFAOYSA-N 0 0 338.501 5.841 50 0 EKAARN CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(C(C)(C)C)C1 ZINC000054387971 202670169 /nfs/dbraw/zinc/67/01/69/202670169.db2.gz BYMQBQPATLMWTH-UHFFFAOYSA-N 0 0 337.419 5.047 50 0 EKAARN O=C(Cc1cccc2cccnc21)Nc1ccccc1-c1ccccc1 ZINC000054519549 564118841 /nfs/dbraw/zinc/11/88/41/564118841.db2.gz SCRVUKFOGYLIAH-UHFFFAOYSA-N 0 0 338.410 5.083 50 0 EKAARN CCc1c(C(=O)Nc2ccccc2-c2ccccc2)[nH]c(C)c1C(C)=O ZINC000054864978 214257854 /nfs/dbraw/zinc/25/78/54/214257854.db2.gz FJLXADLELLKCBC-UHFFFAOYSA-N 0 0 346.430 5.007 50 0 EKAARN BrC12c3ccccc3C(c3ccccc31)c1ccccc12 ZINC000054960020 214260490 /nfs/dbraw/zinc/26/04/90/214260490.db2.gz HSROKCVTEYMWHO-UHFFFAOYSA-N 0 0 333.228 5.180 50 0 EKAARN c1coc(CN(Cc2ccsc2)Cc2cccc3cnccc32)c1 ZINC000055053854 214268262 /nfs/dbraw/zinc/26/82/62/214268262.db2.gz OAEFIUHEWYSVAI-UHFFFAOYSA-N 0 0 334.444 5.092 50 0 EKAARN O=C(CCNc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000055142451 214279335 /nfs/dbraw/zinc/27/93/35/214279335.db2.gz HLXFOHSKLPOSQF-UHFFFAOYSA-N 0 0 335.850 5.067 50 0 EKAARN Cc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000055142456 214279522 /nfs/dbraw/zinc/27/95/22/214279522.db2.gz ARKZNYPRJXZJEB-UHFFFAOYSA-N 0 0 331.887 5.236 50 0 EKAARN S=C(Nc1ccccc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000055155486 214280651 /nfs/dbraw/zinc/28/06/51/214280651.db2.gz RRFZTZJQKXXARS-UHFFFAOYSA-N 0 0 346.499 5.128 50 0 EKAARN Cc1ccc2c(c1)c1c3n2CCN([C@@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000055421506 214323390 /nfs/dbraw/zinc/32/33/90/214323390.db2.gz GNVBGFAKJVJGJT-HTAPYJJXSA-N 0 0 330.475 5.404 50 0 EKAARN Cc1ccc2c(c1)c1c3n2CCN([C@@H](C)c2ccccc2)[C@H]3CCC1 ZINC000055421509 201134080 /nfs/dbraw/zinc/13/40/80/201134080.db2.gz GNVBGFAKJVJGJT-JTSKRJEESA-N 0 0 330.475 5.404 50 0 EKAARN CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000055433684 214323218 /nfs/dbraw/zinc/32/32/18/214323218.db2.gz MZWDNWGOALGHNY-FUDKSRODSA-N 0 0 335.491 5.570 50 0 EKAARN CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000055433689 563934887 /nfs/dbraw/zinc/93/48/87/563934887.db2.gz MZWDNWGOALGHNY-GIWBLDEGSA-N 0 0 335.491 5.570 50 0 EKAARN CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000055433690 563934894 /nfs/dbraw/zinc/93/48/94/563934894.db2.gz MZWDNWGOALGHNY-QNWVGRARSA-N 0 0 335.491 5.570 50 0 EKAARN CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000055433694 563934920 /nfs/dbraw/zinc/93/49/20/563934920.db2.gz MZWDNWGOALGHNY-FUPPJEDESA-N 0 0 335.491 5.570 50 0 EKAARN CCN(C(=O)Nc1c(F)cccc1F)[C@@H](C)c1cc2ccccc2o1 ZINC000056525437 214377768 /nfs/dbraw/zinc/37/77/68/214377768.db2.gz JQTIVQDBNCDBBK-LBPRGKRZSA-N 0 0 344.361 5.326 50 0 EKAARN CCN(C(=O)Nc1c(F)cccc1F)[C@H](C)c1cc2ccccc2o1 ZINC000056525439 214377834 /nfs/dbraw/zinc/37/78/34/214377834.db2.gz JQTIVQDBNCDBBK-GFCCVEGCSA-N 0 0 344.361 5.326 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000056907149 214394497 /nfs/dbraw/zinc/39/44/97/214394497.db2.gz FNBUGNNKBPQCKB-UHFFFAOYSA-N 0 0 328.774 5.035 50 0 EKAARN Cc1ccc(CC(=O)Nc2cccc(C3SCCCS3)c2)s1 ZINC000057191382 214409516 /nfs/dbraw/zinc/40/95/16/214409516.db2.gz GZVATUWQNLQGLD-UHFFFAOYSA-N 0 0 349.546 5.106 50 0 EKAARN Fc1ccccc1-c1ccc(CNc2cc(Cl)ccc2Cl)o1 ZINC000057291994 563935416 /nfs/dbraw/zinc/93/54/16/563935416.db2.gz SQNOUPCZKKBBJG-UHFFFAOYSA-N 0 0 336.193 6.005 50 0 EKAARN CCCCN1C(=O)C(C)=C(C)[C@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000057381208 564153869 /nfs/dbraw/zinc/15/38/69/564153869.db2.gz TUSOERHIONEPSB-NRFANRHFSA-N 0 0 348.575 5.554 50 0 EKAARN CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+]C1CCCCCCCCCCC1 ZINC000057381209 564153856 /nfs/dbraw/zinc/15/38/56/564153856.db2.gz TUSOERHIONEPSB-OAQYLSRUSA-N 0 0 348.575 5.554 50 0 EKAARN CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000057405861 564153955 /nfs/dbraw/zinc/15/39/55/564153955.db2.gz OUJWBNZNBDYESI-UHFFFAOYSA-N 0 0 325.456 5.102 50 0 EKAARN CC(C)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000057412053 564154036 /nfs/dbraw/zinc/15/40/36/564154036.db2.gz IIMDWTSWPPDUTN-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN CC(C)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412193 564154050 /nfs/dbraw/zinc/15/40/50/564154050.db2.gz JVWMLOAIJBDYMR-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN CC(C)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000057412194 564154068 /nfs/dbraw/zinc/15/40/68/564154068.db2.gz IKPRJYMBSVUASX-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN CC(C)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000057412469 564154154 /nfs/dbraw/zinc/15/41/54/564154154.db2.gz QSIBNBFEHVSPBB-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN CC(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000057412471 564154108 /nfs/dbraw/zinc/15/41/08/564154108.db2.gz TUBUBJHMCZDFFZ-UHFFFAOYSA-N 0 0 339.826 5.106 50 0 EKAARN Brc1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000057447946 564076168 /nfs/dbraw/zinc/07/61/68/564076168.db2.gz WCTZBXVLMPEDKZ-UHFFFAOYSA-N 0 0 333.228 5.436 50 0 EKAARN CN(Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 ZINC000057457823 564154361 /nfs/dbraw/zinc/15/43/61/564154361.db2.gz OTZKHGNIOBYOHV-UHFFFAOYSA-N 0 0 334.897 5.175 50 0 EKAARN Cc1nc(-c2ccccc2)sc1-c1nc(-c2cccc(C)c2)no1 ZINC000057509578 564154614 /nfs/dbraw/zinc/15/46/14/564154614.db2.gz KWCQCYJDBBFNAF-UHFFFAOYSA-N 0 0 333.416 5.144 50 0 EKAARN Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000057509588 564154604 /nfs/dbraw/zinc/15/46/04/564154604.db2.gz MDRVWYMRPDPGJZ-UHFFFAOYSA-N 0 0 333.416 5.144 50 0 EKAARN CCCCOc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1 ZINC000057510873 564154657 /nfs/dbraw/zinc/15/46/57/564154657.db2.gz IHCRDSSLMOAQRV-UHFFFAOYSA-N 0 0 341.480 5.076 50 0 EKAARN Cc1cccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)[nH]n3)n2)c1 ZINC000057510917 564154652 /nfs/dbraw/zinc/15/46/52/564154652.db2.gz RETDPDNXMUMPPN-UHFFFAOYSA-N 0 0 344.418 5.226 50 0 EKAARN Cc1cc(Nc2ncnc3ccc(Cl)cc32)ccc1Br ZINC000057519758 214434350 /nfs/dbraw/zinc/43/43/50/214434350.db2.gz CINUTJOGFKBKSA-UHFFFAOYSA-N 0 0 348.631 5.098 50 0 EKAARN COc1ccc(CCc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000057523623 564154725 /nfs/dbraw/zinc/15/47/25/564154725.db2.gz ALNOSDAGFNIZSK-UHFFFAOYSA-N 0 0 329.852 5.257 50 0 EKAARN FC(F)(F)c1ccc(SCc2nc3ccccc3s2)nc1 ZINC000057562948 564154998 /nfs/dbraw/zinc/15/49/98/564154998.db2.gz XUIKJFQUFOPUND-UHFFFAOYSA-N 0 0 326.368 5.002 50 0 EKAARN Cc1nc(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)no1 ZINC000057693866 564155514 /nfs/dbraw/zinc/15/55/14/564155514.db2.gz ZSXFUUQEUGUILB-KRWDZBQOSA-N 0 0 330.840 5.054 50 0 EKAARN Cc1nc(CS[C@H](c2ccccc2)c2ccc(Cl)cc2)no1 ZINC000057693868 564155493 /nfs/dbraw/zinc/15/54/93/564155493.db2.gz ZSXFUUQEUGUILB-QGZVFWFLSA-N 0 0 330.840 5.054 50 0 EKAARN O=C(NCc1csc2ccccc12)c1occc1-c1ccccc1 ZINC000057837518 564156044 /nfs/dbraw/zinc/15/60/44/564156044.db2.gz OHXRXHFKLSKRSV-UHFFFAOYSA-N 0 0 333.412 5.091 50 0 EKAARN CC(C)(C)c1cnc(CNC(C)(C)c2cccc(C(F)(F)F)c2)o1 ZINC000057846982 564156175 /nfs/dbraw/zinc/15/61/75/564156175.db2.gz ZCYAGOQHFZEVLR-UHFFFAOYSA-N 0 0 340.389 5.016 50 0 EKAARN Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccccc1Cl ZINC000057906782 564156496 /nfs/dbraw/zinc/15/64/96/564156496.db2.gz NJEWQAUTXKBSFN-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN CCCCCCc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000057990029 214468593 /nfs/dbraw/zinc/46/85/93/214468593.db2.gz NYQQEZMMKFKUHG-UHFFFAOYSA-N 0 0 329.281 6.143 50 0 EKAARN CC[C@H](Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000057990937 564157053 /nfs/dbraw/zinc/15/70/53/564157053.db2.gz SMZOBZQZYVOULC-HNNXBMFYSA-N 0 0 330.840 5.633 50 0 EKAARN CC[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000057990939 564157034 /nfs/dbraw/zinc/15/70/34/564157034.db2.gz SMZOBZQZYVOULC-OAHLLOKOSA-N 0 0 330.840 5.633 50 0 EKAARN O=C(Nc1ccc(Cl)cc1F)c1ccccc1SC(F)(F)F ZINC000057996488 214468573 /nfs/dbraw/zinc/46/85/73/214468573.db2.gz JHQNCNSCISQARV-UHFFFAOYSA-N 0 0 349.736 5.343 50 0 EKAARN CC(C)c1nnc(S[C@@H](C)c2ccc(F)cc2)n1Cc1ccco1 ZINC000058004454 563936362 /nfs/dbraw/zinc/93/63/62/563936362.db2.gz YKSJUEJSFZGDDR-ZDUSSCGKSA-N 0 0 345.443 5.035 50 0 EKAARN CC(C)c1nnc(S[C@H](C)c2ccc(F)cc2)n1Cc1ccco1 ZINC000058004455 563936407 /nfs/dbraw/zinc/93/64/07/563936407.db2.gz YKSJUEJSFZGDDR-CYBMUJFWSA-N 0 0 345.443 5.035 50 0 EKAARN O=C(Nc1cnc2ccccc2c1)c1sccc1-c1ccc(F)cc1 ZINC000058006236 563936458 /nfs/dbraw/zinc/93/64/58/563936458.db2.gz AXBZASJXCMJFDP-UHFFFAOYSA-N 0 0 348.402 5.355 50 0 EKAARN Cc1ccc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)cc1F ZINC000058016034 564157200 /nfs/dbraw/zinc/15/72/00/564157200.db2.gz RZOCLYGLPOBXAU-GFCCVEGCSA-N 0 0 337.847 5.048 50 0 EKAARN Cc1ccc(NC(=O)[C@H](C)SCc2cccc(Cl)c2)cc1F ZINC000058016037 564157185 /nfs/dbraw/zinc/15/71/85/564157185.db2.gz RZOCLYGLPOBXAU-LBPRGKRZSA-N 0 0 337.847 5.048 50 0 EKAARN O=C(Nc1cccc(Cl)c1)c1sccc1-c1ccc(F)cc1 ZINC000058024386 564157263 /nfs/dbraw/zinc/15/72/63/564157263.db2.gz VNUWSCVVAKQNEM-UHFFFAOYSA-N 0 0 331.799 5.460 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1CS[C@@H](C)C(=O)NC(C)(C)C ZINC000058026789 564157274 /nfs/dbraw/zinc/15/72/74/564157274.db2.gz HSLZBLVFKCWJMU-HNNXBMFYSA-N 0 0 335.557 5.137 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1CS[C@H](C)C(=O)NC(C)(C)C ZINC000058026797 214474099 /nfs/dbraw/zinc/47/40/99/214474099.db2.gz HSLZBLVFKCWJMU-OAHLLOKOSA-N 0 0 335.557 5.137 50 0 EKAARN CN(C(=O)c1ccc(F)cc1F)c1ccc(Oc2ccccc2)cc1 ZINC000058061370 214475827 /nfs/dbraw/zinc/47/58/27/214475827.db2.gz DRSOIUWXOJLMFH-UHFFFAOYSA-N 0 0 339.341 5.034 50 0 EKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1ccsc1 ZINC000058081657 563937304 /nfs/dbraw/zinc/93/73/04/563937304.db2.gz QMZRARXWZTXVFT-OAHLLOKOSA-N 0 0 330.478 5.110 50 0 EKAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1ccsc1 ZINC000058081661 563937325 /nfs/dbraw/zinc/93/73/25/563937325.db2.gz QMZRARXWZTXVFT-HNNXBMFYSA-N 0 0 330.478 5.110 50 0 EKAARN CS[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000058129839 214480057 /nfs/dbraw/zinc/48/00/57/214480057.db2.gz JVYHMMWRWOQFEJ-NSHDSACASA-N 0 0 337.897 5.181 50 0 EKAARN CS[C@H](C)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000058129841 564157732 /nfs/dbraw/zinc/15/77/32/564157732.db2.gz JVYHMMWRWOQFEJ-LLVKDONJSA-N 0 0 337.897 5.181 50 0 EKAARN O=[S@](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl ZINC000058131892 214481265 /nfs/dbraw/zinc/48/12/65/214481265.db2.gz SLHFTDWJMMTRCI-IBGZPJMESA-N 0 0 333.667 5.096 50 0 EKAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl ZINC000058131902 214480602 /nfs/dbraw/zinc/48/06/02/214480602.db2.gz SLHFTDWJMMTRCI-LJQANCHMSA-N 0 0 333.667 5.096 50 0 EKAARN CC(C)OCc1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000058146966 563937926 /nfs/dbraw/zinc/93/79/26/563937926.db2.gz BUKJDTAYBPUFLV-UHFFFAOYSA-N 0 0 334.419 5.409 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(O)cc1 ZINC000058152023 564157834 /nfs/dbraw/zinc/15/78/34/564157834.db2.gz FLUWZYORXYBGSC-UHFFFAOYSA-N 0 0 340.467 5.303 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)SC/C=C/c1ccccc1 ZINC000058156333 564157836 /nfs/dbraw/zinc/15/78/36/564157836.db2.gz QWJKHPOKAUMCDK-RZIFZGNASA-N 0 0 345.895 5.422 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)SC/C=C/c1ccccc1 ZINC000058156337 214484192 /nfs/dbraw/zinc/48/41/92/214484192.db2.gz QWJKHPOKAUMCDK-PPYMECGQSA-N 0 0 345.895 5.422 50 0 EKAARN CC[C@@H](C)Sc1ccc(NC(=O)c2ccoc2)c(C(F)(F)F)c1 ZINC000058156597 563937998 /nfs/dbraw/zinc/93/79/98/563937998.db2.gz ZWGZATUCAMJPFU-SNVBAGLBSA-N 0 0 343.370 5.441 50 0 EKAARN CC[C@H](C)Sc1ccc(NC(=O)c2ccoc2)c(C(F)(F)F)c1 ZINC000058156599 214484329 /nfs/dbraw/zinc/48/43/29/214484329.db2.gz ZWGZATUCAMJPFU-JTQLQIEISA-N 0 0 343.370 5.441 50 0 EKAARN CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cc(C)cc(C)c1 ZINC000058166257 214489995 /nfs/dbraw/zinc/48/99/95/214489995.db2.gz UYYUTQSGROZHFA-UHFFFAOYSA-N 0 0 341.499 5.045 50 0 EKAARN O=[S@@](Cc1ccc(Cl)cc1)Cc1c(Cl)cccc1Cl ZINC000058168066 563938893 /nfs/dbraw/zinc/93/88/93/563938893.db2.gz WWXDERATDKOFRE-LJQANCHMSA-N 0 0 333.667 5.096 50 0 EKAARN O=[S@](Cc1ccc(Cl)cc1)Cc1c(Cl)cccc1Cl ZINC000058168067 563938825 /nfs/dbraw/zinc/93/88/25/563938825.db2.gz WWXDERATDKOFRE-IBGZPJMESA-N 0 0 333.667 5.096 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1ccc(F)cc1 ZINC000058168074 563938858 /nfs/dbraw/zinc/93/88/58/563938858.db2.gz CRNRSCVEHBFHSU-HSZRJFAPSA-N 0 0 332.484 5.189 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1ccc(F)cc1 ZINC000058168075 563938847 /nfs/dbraw/zinc/93/88/47/563938847.db2.gz CRNRSCVEHBFHSU-QHCPKHFHSA-N 0 0 332.484 5.189 50 0 EKAARN O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1cccc2ccccc21 ZINC000058168081 214491564 /nfs/dbraw/zinc/49/15/64/214491564.db2.gz NQDOCUQINQTLLN-XMMPIXPASA-N 0 0 348.389 5.308 50 0 EKAARN O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1cccc2ccccc21 ZINC000058168082 563938835 /nfs/dbraw/zinc/93/88/35/563938835.db2.gz NQDOCUQINQTLLN-DEOSSOPVSA-N 0 0 348.389 5.308 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1cccc(F)c1 ZINC000058168115 214491143 /nfs/dbraw/zinc/49/11/43/214491143.db2.gz CFDHELMVMSEDLV-HSZRJFAPSA-N 0 0 332.484 5.189 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1cccc(F)c1 ZINC000058168116 563938895 /nfs/dbraw/zinc/93/88/95/563938895.db2.gz CFDHELMVMSEDLV-QHCPKHFHSA-N 0 0 332.484 5.189 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1ccccc1F ZINC000058184105 563939266 /nfs/dbraw/zinc/93/92/66/563939266.db2.gz KRUYEUNWPDZMKO-HSZRJFAPSA-N 0 0 332.484 5.189 50 0 EKAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1ccccc1F ZINC000058184111 563939292 /nfs/dbraw/zinc/93/92/92/563939292.db2.gz KRUYEUNWPDZMKO-QHCPKHFHSA-N 0 0 332.484 5.189 50 0 EKAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc2[nH]ccc21 ZINC000058194971 563939461 /nfs/dbraw/zinc/93/94/61/563939461.db2.gz PMMASMGHJOEHPC-UHFFFAOYSA-N 0 0 340.426 5.329 50 0 EKAARN COc1cccc(C[S@](=O)Cc2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000058195771 563939598 /nfs/dbraw/zinc/93/95/98/563939598.db2.gz MFUNGAXHVGISLX-XMMPIXPASA-N 0 0 344.520 5.058 50 0 EKAARN COc1cccc(C[S@@](=O)Cc2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000058195772 563939573 /nfs/dbraw/zinc/93/95/73/563939573.db2.gz MFUNGAXHVGISLX-DEOSSOPVSA-N 0 0 344.520 5.058 50 0 EKAARN Fc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl ZINC000058197921 214501167 /nfs/dbraw/zinc/50/11/67/214501167.db2.gz WPHNGEAHBRYVKQ-UHFFFAOYSA-N 0 0 339.222 6.000 50 0 EKAARN Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)c(C)c1 ZINC000058215707 564158108 /nfs/dbraw/zinc/15/81/08/564158108.db2.gz RNSDKUOUOZISCX-UHFFFAOYSA-N 0 0 336.410 5.009 50 0 EKAARN C[C@H](O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000058218004 214507782 /nfs/dbraw/zinc/50/77/82/214507782.db2.gz LKJZNBSDPDLOHV-ZDUSSCGKSA-N 0 0 348.427 5.204 50 0 EKAARN C[C@@H](O)c1cccc(Oc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000058218005 563940155 /nfs/dbraw/zinc/94/01/55/563940155.db2.gz LKJZNBSDPDLOHV-CYBMUJFWSA-N 0 0 348.427 5.204 50 0 EKAARN CCC[C@H](NC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000058218287 563940197 /nfs/dbraw/zinc/94/01/97/563940197.db2.gz DFLJMIQAGNNHMX-ZDUSSCGKSA-N 0 0 327.371 5.038 50 0 EKAARN CCC[C@@H](NC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000058218288 563940158 /nfs/dbraw/zinc/94/01/58/563940158.db2.gz DFLJMIQAGNNHMX-CYBMUJFWSA-N 0 0 327.371 5.038 50 0 EKAARN Clc1ccc([C@@H]2Oc3ccccc3CN2Cc2ccco2)cc1 ZINC000058219032 563940163 /nfs/dbraw/zinc/94/01/63/563940163.db2.gz UXJCVVALQHLANS-IBGZPJMESA-N 0 0 325.795 5.026 50 0 EKAARN Clc1ccc([C@H]2Oc3ccccc3CN2Cc2ccco2)cc1 ZINC000058219033 563940182 /nfs/dbraw/zinc/94/01/82/563940182.db2.gz UXJCVVALQHLANS-LJQANCHMSA-N 0 0 325.795 5.026 50 0 EKAARN O=C(NCc1cccc(Cl)c1)c1sccc1-c1ccc(F)cc1 ZINC000058227493 563940384 /nfs/dbraw/zinc/94/03/84/563940384.db2.gz PDWNYPPQUVIMBA-UHFFFAOYSA-N 0 0 345.826 5.138 50 0 EKAARN O=C(Nc1ccc(SC(F)F)cc1)N(Cc1ccccc1)C1CC1 ZINC000058282544 563941653 /nfs/dbraw/zinc/94/16/53/563941653.db2.gz QQLPBDDECUAYSX-UHFFFAOYSA-N 0 0 348.418 5.198 50 0 EKAARN CCCN(C(=O)Nc1ccc(C)cc1F)[C@@H]1CCc2ccccc21 ZINC000058305035 563942049 /nfs/dbraw/zinc/94/20/49/563942049.db2.gz HRVAZMATTANIAN-LJQANCHMSA-N 0 0 326.415 5.066 50 0 EKAARN CCCN(C(=O)Nc1ccc(C)cc1F)[C@H]1CCc2ccccc21 ZINC000058305036 563942112 /nfs/dbraw/zinc/94/21/12/563942112.db2.gz HRVAZMATTANIAN-IBGZPJMESA-N 0 0 326.415 5.066 50 0 EKAARN Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000058313668 563942283 /nfs/dbraw/zinc/94/22/83/563942283.db2.gz ZZKDROHHFQODAB-UHFFFAOYSA-N 0 0 342.398 5.080 50 0 EKAARN Cc1cc(CNc2cc(Cl)ccc2Sc2ccc(F)cc2)no1 ZINC000058339142 563942905 /nfs/dbraw/zinc/94/29/05/563942905.db2.gz NVQRMOCAIDFRSS-UHFFFAOYSA-N 0 0 348.830 5.539 50 0 EKAARN CSCc1c2ccccc2oc1C(=O)Nc1ccc2ccccc2n1 ZINC000058356251 563943401 /nfs/dbraw/zinc/94/34/01/563943401.db2.gz QWBRHXQADKKQPO-UHFFFAOYSA-N 0 0 348.427 5.096 50 0 EKAARN CCc1c(-c2csc(-c3sccc3C)n2)[nH]c(C)c1C(C)=O ZINC000058356538 563943392 /nfs/dbraw/zinc/94/33/92/563943392.db2.gz UHZDIBAHSATPGD-UHFFFAOYSA-N 0 0 330.478 5.249 50 0 EKAARN Cc1ccccc1-c1noc(CNc2ccc(-c3ccccc3)cc2)n1 ZINC000058356913 563943630 /nfs/dbraw/zinc/94/36/30/563943630.db2.gz LEIGLINDQXBYDH-UHFFFAOYSA-N 0 0 341.414 5.324 50 0 EKAARN O=C(Nc1cccc(Cl)c1SC(F)F)c1ccc(F)c(F)c1 ZINC000058357068 563943611 /nfs/dbraw/zinc/94/36/11/563943611.db2.gz JEPBEMOEIBNALS-UHFFFAOYSA-N 0 0 349.736 5.185 50 0 EKAARN Cc1ccc(-c2ccsc2C(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000058357431 563943612 /nfs/dbraw/zinc/94/36/12/563943612.db2.gz IPPUTYQMZDMJOE-UHFFFAOYSA-N 0 0 346.455 5.135 50 0 EKAARN O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000058367929 563943986 /nfs/dbraw/zinc/94/39/86/563943986.db2.gz FCPSPNVTQREVDM-KRWDZBQOSA-N 0 0 345.826 5.060 50 0 EKAARN O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000058367931 563944014 /nfs/dbraw/zinc/94/40/14/563944014.db2.gz FCPSPNVTQREVDM-QGZVFWFLSA-N 0 0 345.826 5.060 50 0 EKAARN Cc1ccccc1N(C(=O)c1ccoc1)c1nc2ccccc2s1 ZINC000058368652 563943984 /nfs/dbraw/zinc/94/39/84/563943984.db2.gz HVAJKKIICIXIGB-UHFFFAOYSA-N 0 0 334.400 5.176 50 0 EKAARN CCCc1noc([C@@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 ZINC000058369068 202760852 /nfs/dbraw/zinc/76/08/52/202760852.db2.gz JVGPIOIASXPCRU-CQSZACIVSA-N 0 0 348.450 5.323 50 0 EKAARN CCCc1noc([C@H](C)Nc2ccc3c(c2)c2ccccc2n3CC)n1 ZINC000058369070 563944078 /nfs/dbraw/zinc/94/40/78/563944078.db2.gz JVGPIOIASXPCRU-AWEZNQCLSA-N 0 0 348.450 5.323 50 0 EKAARN O=C(CSc1ccc2ccccc2c1)Nc1ccc2ncccc2c1 ZINC000058369961 563944075 /nfs/dbraw/zinc/94/40/75/563944075.db2.gz USHBDMWKSHDOFS-UHFFFAOYSA-N 0 0 344.439 5.119 50 0 EKAARN c1c(COc2ccc(Oc3ccccn3)cc2)onc1-c1ccccc1 ZINC000058370827 214564474 /nfs/dbraw/zinc/56/44/74/214564474.db2.gz NNWODJWELGDBSB-UHFFFAOYSA-N 0 0 344.370 5.108 50 0 EKAARN c1c(COc2ccc(Oc3ccccn3)cc2)noc1-c1ccccc1 ZINC000058376864 563944161 /nfs/dbraw/zinc/94/41/61/563944161.db2.gz UNQLKSFGUDHEHP-UHFFFAOYSA-N 0 0 344.370 5.108 50 0 EKAARN Cc1cc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)no1 ZINC000058377406 202762164 /nfs/dbraw/zinc/76/21/64/202762164.db2.gz ZGABECVGFNAENQ-UHFFFAOYSA-N 0 0 344.823 5.040 50 0 EKAARN O=C(Nc1cccc(-c2nccs2)c1)NC1(c2ccccc2)CCC1 ZINC000058378118 563944238 /nfs/dbraw/zinc/94/42/38/563944238.db2.gz LQZKLQAIRDFMSZ-UHFFFAOYSA-N 0 0 349.459 5.011 50 0 EKAARN CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc2ccccc2c1 ZINC000058381224 563944440 /nfs/dbraw/zinc/94/44/40/563944440.db2.gz YLIYVYKDWJXAKW-UHFFFAOYSA-N 0 0 345.373 5.516 50 0 EKAARN O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000058391918 563944525 /nfs/dbraw/zinc/94/45/25/563944525.db2.gz CTNFFGLBMIFUDN-JOCHJYFZSA-N 0 0 347.433 5.275 50 0 EKAARN O=C(CCc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000058391919 563944496 /nfs/dbraw/zinc/94/44/96/563944496.db2.gz CTNFFGLBMIFUDN-QFIPXVFZSA-N 0 0 347.433 5.275 50 0 EKAARN Cc1csc(Sc2ccc(NC(=O)NC3CCCCC3)cc2)n1 ZINC000058393540 214572006 /nfs/dbraw/zinc/57/20/06/214572006.db2.gz WFHYSGUOFBUPTO-UHFFFAOYSA-N 0 0 347.509 5.057 50 0 EKAARN Cc1ccccc1N(C(=O)c1ccco1)c1nc2ccccc2s1 ZINC000058401954 563944885 /nfs/dbraw/zinc/94/48/85/563944885.db2.gz FLPSEPTVKZAPHR-UHFFFAOYSA-N 0 0 334.400 5.176 50 0 EKAARN Cc1ccc(-c2nc(COc3cccc4ccc(C)nc43)cs2)o1 ZINC000058402378 563944941 /nfs/dbraw/zinc/94/49/41/563944941.db2.gz DKQJBUUTCYXLDV-UHFFFAOYSA-N 0 0 336.416 5.147 50 0 EKAARN CC(C)(C)[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000058404293 214574748 /nfs/dbraw/zinc/57/47/48/214574748.db2.gz CKJTVMLTVQSNKF-CQSZACIVSA-N 0 0 342.386 5.074 50 0 EKAARN CC(C)(C)[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 ZINC000058404295 563944950 /nfs/dbraw/zinc/94/49/50/563944950.db2.gz CKJTVMLTVQSNKF-AWEZNQCLSA-N 0 0 342.386 5.074 50 0 EKAARN CN(C(=O)c1cc2c(cccc2F)s1)c1cccc2ccccc21 ZINC000058412786 563945361 /nfs/dbraw/zinc/94/53/61/563945361.db2.gz ODTKRVMEEPOCFQ-UHFFFAOYSA-N 0 0 335.403 5.470 50 0 EKAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3CCc3ccccc3)cc2c1C ZINC000058413549 202766456 /nfs/dbraw/zinc/76/64/56/202766456.db2.gz NEENLJGHWHAMIX-HXUWFJFHSA-N 0 0 346.474 5.022 50 0 EKAARN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3CCc3ccccc3)cc2c1C ZINC000058413552 563945321 /nfs/dbraw/zinc/94/53/21/563945321.db2.gz NEENLJGHWHAMIX-FQEVSTJZSA-N 0 0 346.474 5.022 50 0 EKAARN Clc1cc(CN2CCc3sccc3[C@H]2c2cccs2)ccn1 ZINC000058419396 563945735 /nfs/dbraw/zinc/94/57/35/563945735.db2.gz DUKMTTNRNMBBAA-KRWDZBQOSA-N 0 0 346.908 5.006 50 0 EKAARN Clc1cc(CN2CCc3sccc3[C@@H]2c2cccs2)ccn1 ZINC000058419397 563945677 /nfs/dbraw/zinc/94/56/77/563945677.db2.gz DUKMTTNRNMBBAA-QGZVFWFLSA-N 0 0 346.908 5.006 50 0 EKAARN CC1(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCCC1 ZINC000058419498 563945705 /nfs/dbraw/zinc/94/57/05/563945705.db2.gz LLSOFXOOZNBEEQ-UHFFFAOYSA-N 0 0 342.489 5.087 50 0 EKAARN CCN(C(=O)c1cc2ccccc2n1Cc1ccccc1)C1CCCC1 ZINC000058427486 563946145 /nfs/dbraw/zinc/94/61/45/563946145.db2.gz PJWUHIDHKHGOTN-UHFFFAOYSA-N 0 0 346.474 5.094 50 0 EKAARN CN(CCCc1ccccc1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058429970 563946248 /nfs/dbraw/zinc/94/62/48/563946248.db2.gz GPLDHEBRFYOSSJ-UHFFFAOYSA-N 0 0 342.442 5.026 50 0 EKAARN CCCn1cc(C(=O)N2CCC(c3ccccc3)CC2)c2ccccc21 ZINC000058431707 563946250 /nfs/dbraw/zinc/94/62/50/563946250.db2.gz KJUTWQFUKTWCOW-UHFFFAOYSA-N 0 0 346.474 5.071 50 0 EKAARN c1cc(-c2noc(CS[C@H]3CCCc4ccccc43)n2)cs1 ZINC000058432678 563946218 /nfs/dbraw/zinc/94/62/18/563946218.db2.gz XSZDRUOWZHVSFF-HNNXBMFYSA-N 0 0 328.462 5.109 50 0 EKAARN c1cc(-c2noc(CS[C@@H]3CCCc4ccccc43)n2)cs1 ZINC000058432681 563946237 /nfs/dbraw/zinc/94/62/37/563946237.db2.gz XSZDRUOWZHVSFF-OAHLLOKOSA-N 0 0 328.462 5.109 50 0 EKAARN O=C(Nc1ccccc1-c1ccccc1)N1CCC(n2cccc2)CC1 ZINC000058605548 563946941 /nfs/dbraw/zinc/94/69/41/563946941.db2.gz LRIPWLAQOZAYRI-UHFFFAOYSA-N 0 0 345.446 5.024 50 0 EKAARN CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1CCCC1 ZINC000058651083 564159479 /nfs/dbraw/zinc/15/94/79/564159479.db2.gz RLJFUUUSNKIMQJ-HZJYTTRNSA-N 0 0 333.560 6.422 50 0 in-vitro EKAARN CCn1c2ccccc2c2cc(N[C@@H](C)c3nc(C(C)C)no3)ccc21 ZINC000058656440 563947073 /nfs/dbraw/zinc/94/70/73/563947073.db2.gz LRHNTXNENOBDNK-AWEZNQCLSA-N 0 0 348.450 5.494 50 0 EKAARN CCn1c2ccccc2c2cc(N[C@H](C)c3nc(C(C)C)no3)ccc21 ZINC000058656442 214600503 /nfs/dbraw/zinc/60/05/03/214600503.db2.gz LRHNTXNENOBDNK-CQSZACIVSA-N 0 0 348.450 5.494 50 0 EKAARN Cc1cc(SCc2nccn2Cc2ccccc2)nc2ccccc12 ZINC000058670141 564159513 /nfs/dbraw/zinc/15/95/13/564159513.db2.gz CJHBLGHZHHHKIY-UHFFFAOYSA-N 0 0 345.471 5.080 50 0 EKAARN Cc1nc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)cs1 ZINC000058755048 564057855 /nfs/dbraw/zinc/05/78/55/564057855.db2.gz OVEZYFNPWWELQC-UHFFFAOYSA-N 0 0 348.496 5.833 50 0 EKAARN CCCN(C(=O)c1c(C)onc1-c1ccccc1)c1cccc(C)c1 ZINC000058978841 563947505 /nfs/dbraw/zinc/94/75/05/563947505.db2.gz SDWZQBPUUZFJAN-UHFFFAOYSA-N 0 0 334.419 5.015 50 0 EKAARN CCOc1cc(CNc2ccccc2)ccc1OCc1ccccc1 ZINC000059055005 563947612 /nfs/dbraw/zinc/94/76/12/563947612.db2.gz JOXMPMHXQHIISU-UHFFFAOYSA-N 0 0 333.431 5.276 50 0 EKAARN CC(C)Oc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 ZINC000059119191 564160569 /nfs/dbraw/zinc/16/05/69/564160569.db2.gz WTHVZMUREWDGTR-UHFFFAOYSA-N 0 0 337.444 5.455 50 0 EKAARN O=[S@](Nc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000059233411 564177346 /nfs/dbraw/zinc/17/73/46/564177346.db2.gz YYBYTMGWMUIQQM-BFGWZNQXSA-N 0 0 344.307 5.038 50 0 EKAARN O=[S@@](Nc1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000059233415 564177349 /nfs/dbraw/zinc/17/73/49/564177349.db2.gz YYBYTMGWMUIQQM-GGZIRARXSA-N 0 0 344.307 5.038 50 0 EKAARN O=C(CCCc1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000059241773 563947713 /nfs/dbraw/zinc/94/77/13/563947713.db2.gz SZJFXBAXTJNYEK-UHFFFAOYSA-N 0 0 347.483 5.799 50 0 EKAARN C(=C/c1ccccc1OCc1cccnc1)\c1nc2ccccc2s1 ZINC000059269515 214615199 /nfs/dbraw/zinc/61/51/99/214615199.db2.gz SOLPIJFPXXNACH-VAWYXSNFSA-N 0 0 344.439 5.441 50 0 EKAARN Clc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000059299557 563947954 /nfs/dbraw/zinc/94/79/54/563947954.db2.gz AMOXRAVWRRFAIC-UHFFFAOYSA-N 0 0 349.861 5.193 50 0 EKAARN CN(Cc1cccc2ccccc21)C(=O)Nc1cc(Cl)ccc1F ZINC000059337635 563948091 /nfs/dbraw/zinc/94/80/91/563948091.db2.gz YENHKNXYUNZWPI-UHFFFAOYSA-N 0 0 342.801 5.296 50 0 EKAARN CCCCOc1ccc(NC(=O)c2ccc(CCCC)cc2)cc1 ZINC000059371436 564161153 /nfs/dbraw/zinc/16/11/53/564161153.db2.gz YHIRQDQEYCMAJJ-UHFFFAOYSA-N 0 0 325.452 5.460 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc(Oc3nc4ccccc4o3)cc2)c1 ZINC000059372195 563948798 /nfs/dbraw/zinc/94/87/98/563948798.db2.gz OCCMHLSSVREWDO-UHFFFAOYSA-N 0 0 344.370 5.181 50 0 EKAARN CCCC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000059379792 563948854 /nfs/dbraw/zinc/94/88/54/563948854.db2.gz YUTALMFTWPTCBL-UHFFFAOYSA-N 0 0 327.427 5.839 50 0 EKAARN Cc1ccc2c(c1)c1c3n2CCN([C@H](C)c2ccccc2)[C@H]3CCC1 ZINC000059408677 564087899 /nfs/dbraw/zinc/08/78/99/564087899.db2.gz GNVBGFAKJVJGJT-VGSWGCGISA-N 0 0 330.475 5.404 50 0 EKAARN Cc1ccccc1C1(c2ccccc2C)SC(=S)c2ccccc21 ZINC000059416338 563948930 /nfs/dbraw/zinc/94/89/30/563948930.db2.gz AMBNAHFKZFKEPN-UHFFFAOYSA-N 0 0 346.520 6.018 50 0 EKAARN Cc1ccc(N2NC3(CCCCCCCCCCC3)NC2=S)cc1 ZINC000059453834 564065711 /nfs/dbraw/zinc/06/57/11/564065711.db2.gz AATUIVSVYWAOKN-UHFFFAOYSA-N 0 0 345.556 5.195 50 0 EKAARN BrC(=C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000059522922 564161450 /nfs/dbraw/zinc/16/14/50/564161450.db2.gz GMFPCFIMQWGRRD-UHFFFAOYSA-N 0 0 333.228 5.979 50 0 EKAARN O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000059572505 563949046 /nfs/dbraw/zinc/94/90/46/563949046.db2.gz NPPFIDIZQYIWIA-UHFFFAOYSA-N 0 0 344.414 5.069 50 0 EKAARN FC(F)(F)c1cc(Br)ccc1OCc1ccccc1 ZINC000059650530 563949117 /nfs/dbraw/zinc/94/91/17/563949117.db2.gz QTPKEFVNEOEGGH-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN Cc1ccc2oc(-c3cc(NCc4cccs4)ccc3O)nc2c1 ZINC000059720714 563670109 /nfs/dbraw/zinc/67/01/09/563670109.db2.gz DSVPJNZOSHMHJB-UHFFFAOYSA-N 0 0 336.416 5.182 50 0 EKAARN O=C(/C=C/c1ccsc1)Nc1ccccc1Oc1cccc(F)c1 ZINC000059920483 563949468 /nfs/dbraw/zinc/94/94/68/563949468.db2.gz WVALXLLSXDIAAD-CMDGGOBGSA-N 0 0 339.391 5.331 50 0 EKAARN Cc1nnc(S[C@@H](C)c2ccc(F)cc2F)n1-c1ccccc1C ZINC000059926777 563737289 /nfs/dbraw/zinc/73/72/89/563737289.db2.gz YJKNNIAEPSTTGD-LBPRGKRZSA-N 0 0 345.418 5.016 50 0 EKAARN Cc1nnc(S[C@H](C)c2ccc(F)cc2F)n1-c1ccccc1C ZINC000059926780 563737341 /nfs/dbraw/zinc/73/73/41/563737341.db2.gz YJKNNIAEPSTTGD-GFCCVEGCSA-N 0 0 345.418 5.016 50 0 EKAARN Cc1ccc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cn1 ZINC000059934550 214626651 /nfs/dbraw/zinc/62/66/51/214626651.db2.gz WJHNJFHCCAHQEP-UHFFFAOYSA-N 0 0 345.446 5.189 50 0 EKAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000059960956 563949446 /nfs/dbraw/zinc/94/94/46/563949446.db2.gz OEWCODNXNXGACQ-UHFFFAOYSA-N 0 0 349.449 5.546 50 0 EKAARN Cc1noc(C)c1C(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C ZINC000060045268 563949522 /nfs/dbraw/zinc/94/95/22/563949522.db2.gz POTZUOBDVABBCD-UHFFFAOYSA-N 0 0 349.434 5.090 50 0 EKAARN Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000060055979 563949514 /nfs/dbraw/zinc/94/95/14/563949514.db2.gz CAFDZZPTQPEPCD-UHFFFAOYSA-N 0 0 327.452 6.453 50 0 EKAARN Fc1ccc(SCc2ccc(OCc3ccccn3)cc2)cc1F ZINC000060059189 214627904 /nfs/dbraw/zinc/62/79/04/214627904.db2.gz KSPZIFQHLBQUCU-UHFFFAOYSA-N 0 0 343.398 5.231 50 0 EKAARN CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)nc1Cl ZINC000060098829 132804702 /nfs/dbraw/zinc/80/47/02/132804702.db2.gz WXBZGEMLEOWYOI-UHFFFAOYSA-N 0 0 349.261 5.105 50 0 EKAARN Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1C(C)C ZINC000060158397 214629455 /nfs/dbraw/zinc/62/94/55/214629455.db2.gz RAKMOGIWMCOROJ-UHFFFAOYSA-N 0 0 342.336 5.096 50 0 EKAARN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1sccc1C1CC1 ZINC000060332478 563930768 /nfs/dbraw/zinc/93/07/68/563930768.db2.gz MDPSYPVICVYSDX-UHFFFAOYSA-N 0 0 337.448 5.022 50 0 EKAARN C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(Cl)s1 ZINC000060356452 563933032 /nfs/dbraw/zinc/93/30/32/563933032.db2.gz RSARVIRFXPNUGV-UHFFFAOYSA-N 0 0 346.883 5.121 50 0 EKAARN CC(C)(C)c1cnc(CN2Cc3ccccc3-c3ccccc3C2)o1 ZINC000060361259 202781666 /nfs/dbraw/zinc/78/16/66/202781666.db2.gz CBHLDHQNQONOKW-UHFFFAOYSA-N 0 0 332.447 5.155 50 0 EKAARN Cc1ccc(-c2csc(NC(=O)c3sccc3C3CC3)n2)cc1 ZINC000060476768 214639471 /nfs/dbraw/zinc/63/94/71/214639471.db2.gz LDNDENRTFGPJOV-UHFFFAOYSA-N 0 0 340.473 5.310 50 0 EKAARN Cc1c2ccccc2oc1[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 ZINC000060788754 563974793 /nfs/dbraw/zinc/97/47/93/563974793.db2.gz QMJYNOKAJNWHEO-CQSZACIVSA-N 0 0 333.387 5.069 50 0 EKAARN Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)n1C1CC1 ZINC000060915041 563985986 /nfs/dbraw/zinc/98/59/86/563985986.db2.gz HVJVSPYEWFDCTM-UHFFFAOYSA-N 0 0 344.458 5.283 50 0 EKAARN O=C(Nc1ccccc1C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000061036469 563992422 /nfs/dbraw/zinc/99/24/22/563992422.db2.gz GMFMHLRYMIRCOG-UHFFFAOYSA-N 0 0 348.349 5.081 50 0 EKAARN Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc3ccccc32)s1 ZINC000061531563 214665631 /nfs/dbraw/zinc/66/56/31/214665631.db2.gz WLIWBAIOODADLU-GOSISDBHSA-N 0 0 335.472 5.057 50 0 EKAARN O=C(Nc1ccc2nc(-c3ccccc3Cl)oc2c1)c1ccccc1 ZINC000062049550 563951734 /nfs/dbraw/zinc/95/17/34/563951734.db2.gz SFTVVWSLWMDSCC-UHFFFAOYSA-N 0 0 348.789 5.401 50 0 EKAARN Cc1ccccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2o1 ZINC000062049555 563951708 /nfs/dbraw/zinc/95/17/08/563951708.db2.gz WJNYTNOZHVMQED-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN Cc1cccc(-c2nc3ccc(NC(=O)c4ccccc4C)cc3o2)c1 ZINC000062049568 563951705 /nfs/dbraw/zinc/95/17/05/563951705.db2.gz JSLWSEVZVFSYPN-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1 ZINC000062049581 563951744 /nfs/dbraw/zinc/95/17/44/563951744.db2.gz OXWINNYZTUIZAB-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 ZINC000062049594 564003013 /nfs/dbraw/zinc/00/30/13/564003013.db2.gz IGZGFPDINAQJCH-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1cccc(-c2nc3ccc(NC(=O)c4ccc(F)cc4)cc3o2)c1 ZINC000062049633 564003035 /nfs/dbraw/zinc/00/30/35/564003035.db2.gz XZSPGYYBISMETR-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Cc1ccccc1-c1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1 ZINC000062049634 563951713 /nfs/dbraw/zinc/95/17/13/563951713.db2.gz TXYSYEDGYOILSE-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Clc1cc(-c2csc(Nc3cccnc3)n2)c(Cl)s1 ZINC000062581014 564006498 /nfs/dbraw/zinc/00/64/98/564006498.db2.gz LYVNMMWCHPNEQE-UHFFFAOYSA-N 0 0 328.249 5.317 50 0 EKAARN Clc1cccc(CSCc2nccn2Cc2ccccc2)c1 ZINC000063128858 564056564 /nfs/dbraw/zinc/05/65/64/564056564.db2.gz DPGIQIQKLLCECY-UHFFFAOYSA-N 0 0 328.868 5.018 50 0 EKAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1csc(-c2ccsc2)n1 ZINC000063275179 563997532 /nfs/dbraw/zinc/99/75/32/563997532.db2.gz ITQRYKZLVPPKHG-MLPAPPSSSA-N 0 0 344.848 5.018 50 0 EKAARN CC(C)(C)c1cc(Br)c(Cl)c(Br)c1 ZINC000063339627 563955477 /nfs/dbraw/zinc/95/54/77/563955477.db2.gz WMMPUKCLMBOGTC-UHFFFAOYSA-N 0 0 326.459 5.163 50 0 EKAARN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCCCC3)c2)C1 ZINC000063398769 202806589 /nfs/dbraw/zinc/80/65/89/202806589.db2.gz LHGOZKRBAOPBDQ-XLIONFOSSA-N 0 0 344.499 5.190 50 0 EKAARN Cc1cc(C(=O)N(C2CCCC2)C2CCCC2)c2ccc(F)cc2n1 ZINC000063442477 262530113 /nfs/dbraw/zinc/53/01/13/262530113.db2.gz QIDYOQOVUBQNBC-UHFFFAOYSA-N 0 0 340.442 5.010 50 0 EKAARN Cc1cc(Sc2ccccc2)ccc1NCc1nc(C(C)C)no1 ZINC000063472204 564057605 /nfs/dbraw/zinc/05/76/05/564057605.db2.gz CFIIDASOEYONHK-UHFFFAOYSA-N 0 0 339.464 5.265 50 0 EKAARN Cc1cc(Sc2ccccc2)ccc1NCc1nc(C2CC2)no1 ZINC000063472206 214757396 /nfs/dbraw/zinc/75/73/96/214757396.db2.gz GXYCBHBKSBWDMO-UHFFFAOYSA-N 0 0 337.448 5.019 50 0 EKAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1csc(-c2ccco2)n1 ZINC000063522420 564057727 /nfs/dbraw/zinc/05/77/27/564057727.db2.gz BLANLBYBGYFYDR-OAHLLOKOSA-N 0 0 342.464 5.108 50 0 EKAARN S=C(NCc1cccc2ccccc21)Nc1ccc2ccccc2c1 ZINC000063563660 564073052 /nfs/dbraw/zinc/07/30/52/564073052.db2.gz SWXJCBZFPFGKPK-UHFFFAOYSA-N 0 0 342.467 5.480 50 0 EKAARN COCCCc1nc(-c2c3ccccc3[nH]c2-c2ccccc2)cs1 ZINC000063630227 564073610 /nfs/dbraw/zinc/07/36/10/564073610.db2.gz ZGZNVOUJKHBJBC-UHFFFAOYSA-N 0 0 348.471 5.537 50 0 EKAARN Cc1sc(Cc2ncc(Cl)n2C)nc1-c1cc(C)c(C)cc1C ZINC000063630735 564073612 /nfs/dbraw/zinc/07/36/12/564073612.db2.gz QSUBGFNIRPDYLE-UHFFFAOYSA-N 0 0 345.899 5.021 50 0 EKAARN CC1(C)CC[C@@H](NC(=O)c2sccc2C2CC2)c2ccccc21 ZINC000063712876 564074895 /nfs/dbraw/zinc/07/48/95/564074895.db2.gz NEXWHGPLFRCZFI-QGZVFWFLSA-N 0 0 325.477 5.168 50 0 EKAARN c1cc(C23CC4CC(CC(C4)C2)C3)ccc1C12CC3CC(CC(C3)C1)C2 ZINC000063767569 563955845 /nfs/dbraw/zinc/95/58/45/563955845.db2.gz MNBQNKSJJGPYMT-UHFFFAOYSA-N 0 0 346.558 6.622 50 0 EKAARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)NC1CCCC1 ZINC000063784560 564077013 /nfs/dbraw/zinc/07/70/13/564077013.db2.gz VOHMOYLDAUSKSR-UHFFFAOYSA-N 0 0 347.418 5.091 50 0 EKAARN c1sc(C2CCCC2)nc1CNC(c1ccccc1)c1ccccc1 ZINC000063993099 564083461 /nfs/dbraw/zinc/08/34/61/564083461.db2.gz PJRBLDZPDJMCCA-UHFFFAOYSA-N 0 0 348.515 5.680 50 0 EKAARN c1sc(C2CCCC2)nc1CSc1ccc2c(c1)OCCCO2 ZINC000064023399 564083634 /nfs/dbraw/zinc/08/36/34/564083634.db2.gz TVQMPLYQHPZJTB-UHFFFAOYSA-N 0 0 347.505 5.254 50 0 EKAARN Cc1occc1-c1nnc(SCc2csc(C3CCCC3)n2)o1 ZINC000064025116 214778108 /nfs/dbraw/zinc/77/81/08/214778108.db2.gz RNIMYMJGFMODHT-UHFFFAOYSA-N 0 0 347.465 5.044 50 0 EKAARN c1csc(-c2nnc(SCc3csc(C4CCCC4)n3)o2)c1 ZINC000064025128 214778489 /nfs/dbraw/zinc/77/84/89/214778489.db2.gz RZTHHCGNHLMOLX-UHFFFAOYSA-N 0 0 349.506 5.205 50 0 EKAARN Cc1ccc(OCc2nc(CSc3ccc(O)cc3)cs2)cc1 ZINC000064037924 564083738 /nfs/dbraw/zinc/08/37/38/564083738.db2.gz HTCPDBXHEIVMFF-UHFFFAOYSA-N 0 0 343.473 5.028 50 0 EKAARN Cc1nc(SCc2cn3ccsc3n2)n(C2CCCCC2)c1C ZINC000064308420 564087511 /nfs/dbraw/zinc/08/75/11/564087511.db2.gz RBJUPCHINLAVOY-UHFFFAOYSA-N 0 0 346.525 5.007 50 0 EKAARN Cc1ccc(N(C(=O)c2ccco2)c2nc3ccccc3s2)c(C)c1 ZINC000064341721 564089204 /nfs/dbraw/zinc/08/92/04/564089204.db2.gz CNPLYPXZCDGTCW-UHFFFAOYSA-N 0 0 348.427 5.485 50 0 EKAARN CN(C(=O)c1ccc2ccccc2n1)c1ccccc1-c1ccccc1 ZINC000064382029 214784176 /nfs/dbraw/zinc/78/41/76/214784176.db2.gz JIBYGJQLUPDCQU-UHFFFAOYSA-N 0 0 338.410 5.178 50 0 EKAARN CCCCCNC(=O)c1scc(-c2ccccc2)c1-n1cccc1 ZINC000064472472 214788360 /nfs/dbraw/zinc/78/83/60/214788360.db2.gz RZGOQNAKUOXYNP-UHFFFAOYSA-N 0 0 338.476 5.126 50 0 EKAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000064568246 564092261 /nfs/dbraw/zinc/09/22/61/564092261.db2.gz AZFFXCOHSGJRCR-UHFFFAOYSA-N 0 0 336.822 5.271 50 0 EKAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000064568250 214793727 /nfs/dbraw/zinc/79/37/27/214793727.db2.gz NGWQQAPYGQSMLU-UHFFFAOYSA-N 0 0 330.431 5.433 50 0 EKAARN Cc1ccc(-c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000064568258 564092263 /nfs/dbraw/zinc/09/22/63/564092263.db2.gz XPPDWIYJUWFKMU-UHFFFAOYSA-N 0 0 340.785 5.102 50 0 EKAARN COc1ccc(-c2cncc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000064568285 564092265 /nfs/dbraw/zinc/09/22/65/564092265.db2.gz VQCKRRATKFEARQ-UHFFFAOYSA-N 0 0 346.430 5.133 50 0 EKAARN CC(C)CSc1nccn2nc(-c3ccc(C(C)C)cc3)cc12 ZINC000064580844 564092474 /nfs/dbraw/zinc/09/24/74/564092474.db2.gz INKKPYRSOJZENW-UHFFFAOYSA-N 0 0 325.481 5.268 50 0 EKAARN Cc1ccccc1CSc1nccn2nc(-c3ccccc3C)cc12 ZINC000064580847 564092471 /nfs/dbraw/zinc/09/24/71/564092471.db2.gz VDIXCGWXKWMEOU-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1cccc(CSc2nccn3nc(-c4ccccc4C)cc23)c1 ZINC000064580848 564092484 /nfs/dbraw/zinc/09/24/84/564092484.db2.gz SVFVOZZMADHXIX-UHFFFAOYSA-N 0 0 345.471 5.305 50 0 EKAARN Cc1ccccc1-c1cc2c(SCc3ccccc3F)nccn2n1 ZINC000064580849 214794652 /nfs/dbraw/zinc/79/46/52/214794652.db2.gz PPKGUBFFLVIQLB-UHFFFAOYSA-N 0 0 349.434 5.136 50 0 EKAARN CCOc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)c1 ZINC000064604453 564093025 /nfs/dbraw/zinc/09/30/25/564093025.db2.gz JVIBGZLEZXVDQK-KRWDZBQOSA-N 0 0 349.455 5.288 50 0 EKAARN CCOc1cccc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)c1 ZINC000064604454 564093048 /nfs/dbraw/zinc/09/30/48/564093048.db2.gz JVIBGZLEZXVDQK-QGZVFWFLSA-N 0 0 349.455 5.288 50 0 EKAARN COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1 ZINC000064604457 564093026 /nfs/dbraw/zinc/09/30/26/564093026.db2.gz CTNIVIFBJDNYEC-QGZVFWFLSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1 ZINC000064604459 564093043 /nfs/dbraw/zinc/09/30/43/564093043.db2.gz CTNIVIFBJDNYEC-KRWDZBQOSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccccc2C)cc1 ZINC000064604472 564093027 /nfs/dbraw/zinc/09/30/27/564093027.db2.gz SWXUIOISJJCPPF-KRWDZBQOSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccccc2C)cc1 ZINC000064604474 214795300 /nfs/dbraw/zinc/79/53/00/214795300.db2.gz SWXUIOISJJCPPF-QGZVFWFLSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(C)c2)cc1 ZINC000064604475 564093045 /nfs/dbraw/zinc/09/30/45/564093045.db2.gz RAMIRDSIPJXCON-KRWDZBQOSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cccc(C)c2)cc1 ZINC000064604476 214795827 /nfs/dbraw/zinc/79/58/27/214795827.db2.gz RAMIRDSIPJXCON-QGZVFWFLSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C)cc2)cc1 ZINC000064604479 564093039 /nfs/dbraw/zinc/09/30/39/564093039.db2.gz MMAXPBJKKYCBMW-KRWDZBQOSA-N 0 0 349.455 5.206 50 0 EKAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(C)cc2)cc1 ZINC000064604481 564093031 /nfs/dbraw/zinc/09/30/31/564093031.db2.gz MMAXPBJKKYCBMW-QGZVFWFLSA-N 0 0 349.455 5.206 50 0 EKAARN O=C1C[C@H](c2ccsc2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000064604498 564093053 /nfs/dbraw/zinc/09/30/53/564093053.db2.gz WVCXBLFGRIBTCO-CYBMUJFWSA-N 0 0 329.421 5.090 50 0 EKAARN O=C1C[C@@H](c2ccsc2)c2scc(-c3ccc(F)cc3)c2N1 ZINC000064604499 214795823 /nfs/dbraw/zinc/79/58/23/214795823.db2.gz WVCXBLFGRIBTCO-ZDUSSCGKSA-N 0 0 329.421 5.090 50 0 EKAARN Cc1cccc(NC(=O)Cc2oc(-c3ccccc3)nc2CC(C)C)c1 ZINC000064612514 214795283 /nfs/dbraw/zinc/79/52/83/214795283.db2.gz DCHFLBPXXKBNLE-UHFFFAOYSA-N 0 0 348.446 5.030 50 0 EKAARN Cc1c(Cl)cccc1Nc1c(-c2ccccc2)nc2cnccn21 ZINC000064657095 214796698 /nfs/dbraw/zinc/79/66/98/214796698.db2.gz PQZIJCAAKJCQOA-UHFFFAOYSA-N 0 0 334.810 5.102 50 0 EKAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C)c(Cl)c2)cc1 ZINC000064657117 214797331 /nfs/dbraw/zinc/79/73/31/214797331.db2.gz BBQOOKNDCDQKOB-UHFFFAOYSA-N 0 0 348.837 5.410 50 0 EKAARN Cc1ccc(-c2nc3cnccn3c2Nc2cccc(C)c2C)cc1 ZINC000064657123 202816219 /nfs/dbraw/zinc/81/62/19/202816219.db2.gz AVBVCSQFBSBZPT-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2C)cc1 ZINC000064657128 564094783 /nfs/dbraw/zinc/09/47/83/564094783.db2.gz FDZBXDBDPUVHAR-UHFFFAOYSA-N 0 0 328.419 5.065 50 0 EKAARN Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)cc1 ZINC000064658627 564094730 /nfs/dbraw/zinc/09/47/30/564094730.db2.gz CMBOXNZASSHWTR-UHFFFAOYSA-N 0 0 335.403 5.036 50 0 EKAARN CC(C)(C)Nc1c(-c2ccc(F)cc2)nc2sc3ccccc3n21 ZINC000064668416 564095012 /nfs/dbraw/zinc/09/50/12/564095012.db2.gz CLUJAJTYQOUPBR-UHFFFAOYSA-N 0 0 339.439 5.566 50 0 EKAARN CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2sc3ccccc3n21 ZINC000064668418 564095001 /nfs/dbraw/zinc/09/50/01/564095001.db2.gz LGBAKRYOJIESPM-UHFFFAOYSA-N 0 0 337.448 5.132 50 0 EKAARN CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc3ccccc3n21 ZINC000064668422 564094991 /nfs/dbraw/zinc/09/49/91/564094991.db2.gz VOYGAMHLSYLJAD-UHFFFAOYSA-N 0 0 339.439 5.566 50 0 EKAARN CC(C)(C)Nc1c(-c2ccccc2F)nc2sc3ccccc3n21 ZINC000064668426 564094993 /nfs/dbraw/zinc/09/49/93/564094993.db2.gz CMYBYXQNWRCEJZ-UHFFFAOYSA-N 0 0 339.439 5.566 50 0 EKAARN Cc1ccsc1-c1nc(-c2ccc(-c3csc(C)n3)cc2)no1 ZINC000064669023 564095015 /nfs/dbraw/zinc/09/50/15/564095015.db2.gz YQQHKTNUWKIIPU-UHFFFAOYSA-N 0 0 339.445 5.205 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(CCC4CCCC4)n3)cc2)cs1 ZINC000064669030 564095010 /nfs/dbraw/zinc/09/50/10/564095010.db2.gz XCOLYQAFIDDIPZ-UHFFFAOYSA-N 0 0 339.464 5.291 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(-c4cc(C)cc(C)c4)n3)cc2)cs1 ZINC000064669034 564095011 /nfs/dbraw/zinc/09/50/11/564095011.db2.gz NAVZMPQBGNCXDI-UHFFFAOYSA-N 0 0 347.443 5.452 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(-c4ccccc4C)n3)cc2)cs1 ZINC000064669051 564095016 /nfs/dbraw/zinc/09/50/16/564095016.db2.gz NNUZAIDMCSKZPU-UHFFFAOYSA-N 0 0 333.416 5.144 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(-c4cccc(C)c4)n3)cc2)cs1 ZINC000064669053 564095005 /nfs/dbraw/zinc/09/50/05/564095005.db2.gz AUPYWQVKVVBEMK-UHFFFAOYSA-N 0 0 333.416 5.144 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2)cs1 ZINC000064669054 214799260 /nfs/dbraw/zinc/79/92/60/214799260.db2.gz BPLQSBGJFCSHTI-UHFFFAOYSA-N 0 0 333.416 5.144 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)cs1 ZINC000064669056 564094989 /nfs/dbraw/zinc/09/49/89/564094989.db2.gz SYRVDXBJUVHJQN-UHFFFAOYSA-N 0 0 325.437 5.216 50 0 EKAARN Cc1ccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)s1 ZINC000064669079 564095045 /nfs/dbraw/zinc/09/50/45/564095045.db2.gz CFGQEHVGPLDHPJ-UHFFFAOYSA-N 0 0 339.445 5.205 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(Cc4ccccc4C)n3)cc2)cs1 ZINC000064669085 202815587 /nfs/dbraw/zinc/81/55/87/202815587.db2.gz IJEMQVSBKBODBF-UHFFFAOYSA-N 0 0 347.443 5.068 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(-c4ccc(C)c(C)c4)n3)cc2)cs1 ZINC000064669086 214799133 /nfs/dbraw/zinc/79/91/33/214799133.db2.gz CCMRDYPRHWKGTE-UHFFFAOYSA-N 0 0 347.443 5.452 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(/C=C/c4ccccc4)n3)cc2)cs1 ZINC000064669098 564095042 /nfs/dbraw/zinc/09/50/42/564095042.db2.gz BUEKEGFMDJISQN-KPKJPENVSA-N 0 0 345.427 5.339 50 0 EKAARN Cc1nc(-c2ccc(-c3noc(Cc4ccc(C)cc4)n3)cc2)cs1 ZINC000064669100 214799186 /nfs/dbraw/zinc/79/91/86/214799186.db2.gz LGLYPQAWINMQBG-UHFFFAOYSA-N 0 0 347.443 5.068 50 0 EKAARN CCc1nc(-c2ccc(-c3noc(-c4ccsc4)n3)cc2)cs1 ZINC000064669123 564095019 /nfs/dbraw/zinc/09/50/19/564095019.db2.gz JQBXABBPSPEBSI-UHFFFAOYSA-N 0 0 339.445 5.151 50 0 EKAARN CCc1nc(-c2ccc(-c3noc(-c4cccs4)n3)cc2)cs1 ZINC000064669145 564095041 /nfs/dbraw/zinc/09/50/41/564095041.db2.gz YMZQUFJMBAAECJ-UHFFFAOYSA-N 0 0 339.445 5.151 50 0 EKAARN CCc1nc(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)cs1 ZINC000064669147 564095027 /nfs/dbraw/zinc/09/50/27/564095027.db2.gz UVZRGZSNYNQFOZ-UHFFFAOYSA-N 0 0 339.464 5.470 50 0 EKAARN CCc1nc(-c2ccc(-c3noc(-c4ccccc4)n3)cc2)cs1 ZINC000064669173 564095028 /nfs/dbraw/zinc/09/50/28/564095028.db2.gz VCNTZAZYLQESSX-UHFFFAOYSA-N 0 0 333.416 5.090 50 0 EKAARN c1sc(C2CC2)nc1-c1ccc(-c2noc(-c3ccccc3)n2)cc1 ZINC000064669241 214800245 /nfs/dbraw/zinc/80/02/45/214800245.db2.gz OQRLTFKHBQATAP-UHFFFAOYSA-N 0 0 345.427 5.405 50 0 EKAARN Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1Cl ZINC000064676395 564095162 /nfs/dbraw/zinc/09/51/62/564095162.db2.gz YLHKQMVOILQBRV-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)s1 ZINC000064676421 564095157 /nfs/dbraw/zinc/09/51/57/564095157.db2.gz UMVZOWVLTOJTEW-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)cs2)s1 ZINC000064676423 564095176 /nfs/dbraw/zinc/09/51/76/564095176.db2.gz GKHHSTKFNLXGBP-UHFFFAOYSA-N 0 0 334.853 5.086 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3C)cs2)s1 ZINC000064676428 214800059 /nfs/dbraw/zinc/80/00/59/214800059.db2.gz QOMQCLSGVRGXPG-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)s1 ZINC000064676432 564095149 /nfs/dbraw/zinc/09/51/49/564095149.db2.gz OCWSKCBMYNCAID-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1ccc(-c2nc(C(=O)NC3CCCCCCC3)cs2)s1 ZINC000064676442 214799811 /nfs/dbraw/zinc/79/98/11/214799811.db2.gz YCBCWBGCDQDPPT-UHFFFAOYSA-N 0 0 334.510 5.023 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)cs2)s1 ZINC000064676446 564095165 /nfs/dbraw/zinc/09/51/65/564095165.db2.gz PNPTYTXYIVYXMG-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)cs2)s1 ZINC000064676471 564095192 /nfs/dbraw/zinc/09/51/92/564095192.db2.gz BGIOOJZRVCGITI-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)cs2)s1 ZINC000064676472 564095179 /nfs/dbraw/zinc/09/51/79/564095179.db2.gz YNYOJXIJNVHRHT-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)cs2)s1 ZINC000064676474 564095196 /nfs/dbraw/zinc/09/51/96/564095196.db2.gz RFIVYMZPJGIPRM-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)cs2)s1 ZINC000064676476 214799976 /nfs/dbraw/zinc/79/99/76/214799976.db2.gz TZVPYFDGWVFJGY-UHFFFAOYSA-N 0 0 328.462 5.049 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3Cl)cs2)s1 ZINC000064676481 564095208 /nfs/dbraw/zinc/09/52/08/564095208.db2.gz BIRZTNPIRLGHDU-UHFFFAOYSA-N 0 0 348.880 5.394 50 0 EKAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)cs2)s1 ZINC000064676483 564095201 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COc1c2cc(Cl)ccc2sc1C(=O)N[C@H](C)c1ccccc1 ZINC000064756562 564095948 /nfs/dbraw/zinc/09/59/48/564095948.db2.gz SURPMZQAUJUBQM-LLVKDONJSA-N 0 0 345.851 5.054 50 0 EKAARN COc1c2cc(Cl)ccc2sc1C(=O)Nc1ccc(F)cc1C ZINC000064756589 214803176 /nfs/dbraw/zinc/80/31/76/214803176.db2.gz DNLQFFHNUGEHFH-UHFFFAOYSA-N 0 0 349.814 5.263 50 0 EKAARN COc1c2cc(Cl)ccc2sc1C(=O)Nc1cc(F)ccc1C ZINC000064756606 564095934 /nfs/dbraw/zinc/09/59/34/564095934.db2.gz XYFOCUSYLPJBIH-UHFFFAOYSA-N 0 0 349.814 5.263 50 0 EKAARN COc1c2ccc(Cl)cc2sc1C(=O)NCCC1=CCCCC1 ZINC000064756723 564095941 /nfs/dbraw/zinc/09/59/41/564095941.db2.gz HUXFKHVUAPOFJS-UHFFFAOYSA-N 0 0 349.883 5.184 50 0 EKAARN COc1c2ccc(Cl)cc2sc1C(=O)NC1CCCCCC1 ZINC000064756729 564095949 /nfs/dbraw/zinc/09/59/49/564095949.db2.gz WEOMGFURYQTHAE-UHFFFAOYSA-N 0 0 337.872 5.016 50 0 EKAARN COc1c2ccc(Cl)cc2sc1C(=O)N[C@@H](C)c1ccccc1 ZINC000064756750 564095953 /nfs/dbraw/zinc/09/59/53/564095953.db2.gz KUWJBLPUTKRJAD-NSHDSACASA-N 0 0 345.851 5.054 50 0 EKAARN COc1c2ccc(Cl)cc2sc1C(=O)N[C@H](C)c1ccccc1 ZINC000064756752 564095966 /nfs/dbraw/zinc/09/59/66/564095966.db2.gz KUWJBLPUTKRJAD-LLVKDONJSA-N 0 0 345.851 5.054 50 0 EKAARN CCc1ccc(NC(=O)c2sc(Nc3ccccc3)nc2C)cc1 ZINC000064757650 564096038 /nfs/dbraw/zinc/09/60/38/564096038.db2.gz JBOMEZGMBZKGIO-UHFFFAOYSA-N 0 0 337.448 5.010 50 0 EKAARN Cc1nc(Nc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000064757666 564096029 /nfs/dbraw/zinc/09/60/29/564096029.db2.gz SIETVUOZGQEWPJ-UHFFFAOYSA-N 0 0 343.839 5.101 50 0 EKAARN C[C@@H](CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 ZINC000064780716 214804298 /nfs/dbraw/zinc/80/42/98/214804298.db2.gz SRDBJHKJUMWDHQ-ZDUSSCGKSA-N 0 0 336.460 5.338 50 0 EKAARN CN(C(=O)c1cccc2ncccc21)c1ccccc1-c1ccccc1 ZINC000064815320 564096401 /nfs/dbraw/zinc/09/64/01/564096401.db2.gz HFZFLWPQTYQRBK-UHFFFAOYSA-N 0 0 338.410 5.178 50 0 EKAARN Cc1ccc(-c2noc3c2ncnc3Nc2ccc(C(C)C)cc2)cc1 ZINC000064820908 564096611 /nfs/dbraw/zinc/09/66/11/564096611.db2.gz XSNCKULCVNPVSM-UHFFFAOYSA-N 0 0 344.418 5.460 50 0 EKAARN CCc1nc2c(-c3ccccc3)noc2c(Nc2cc(C)cc(C)c2)n1 ZINC000064835255 564096718 /nfs/dbraw/zinc/09/67/18/564096718.db2.gz OKZUPZSSBYVLRA-UHFFFAOYSA-N 0 0 344.418 5.208 50 0 EKAARN CN(Cc1cccc2ccccc21)C(=S)Nc1ccc2c(c1)CCC2 ZINC000064893007 564097531 /nfs/dbraw/zinc/09/75/31/564097531.db2.gz UWNPDBKMOGCYQM-UHFFFAOYSA-N 0 0 346.499 5.157 50 0 EKAARN CC(C)c1nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2o1 ZINC000064968217 564098732 /nfs/dbraw/zinc/09/87/32/564098732.db2.gz KMUDVLXGZPUOIU-UHFFFAOYSA-N 0 0 348.324 5.222 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968234 518187329 /nfs/dbraw/zinc/18/73/29/518187329.db2.gz OHXUYYJMLZYEBV-UHFFFAOYSA-N 0 0 328.799 5.165 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968236 564098719 /nfs/dbraw/zinc/09/87/19/564098719.db2.gz VPAXCOIMCRTEAT-UHFFFAOYSA-N 0 0 328.799 5.165 50 0 EKAARN Cc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1Cl ZINC000064968263 214816953 /nfs/dbraw/zinc/81/69/53/214816953.db2.gz GZNHUVDVENIGQP-UHFFFAOYSA-N 0 0 328.799 5.165 50 0 EKAARN Cc1ccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c(Cl)c1 ZINC000064968275 564098739 /nfs/dbraw/zinc/09/87/39/564098739.db2.gz AMHZHVRDPQKYDX-UHFFFAOYSA-N 0 0 328.799 5.165 50 0 EKAARN O=C(Nc1ccccc1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000064984520 563957663 /nfs/dbraw/zinc/95/76/63/563957663.db2.gz XIPVAWDLIPOVAD-GOSISDBHSA-N 0 0 328.843 5.489 50 0 EKAARN O=C(Nc1ccccc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000064984522 563957664 /nfs/dbraw/zinc/95/76/64/563957664.db2.gz XIPVAWDLIPOVAD-SFHVURJKSA-N 0 0 328.843 5.489 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)c1 ZINC000064984523 563957668 /nfs/dbraw/zinc/95/76/68/563957668.db2.gz ANSLBADRFZTVJY-FQEVSTJZSA-N 0 0 338.451 5.153 50 0 EKAARN COc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)c1 ZINC000064984525 563957650 /nfs/dbraw/zinc/95/76/50/563957650.db2.gz ANSLBADRFZTVJY-HXUWFJFHSA-N 0 0 338.451 5.153 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000064984535 563957679 /nfs/dbraw/zinc/95/76/79/563957679.db2.gz 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ZINC000064984590 563957674 /nfs/dbraw/zinc/95/76/74/563957674.db2.gz QLYWYEUCICSDNC-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)cc1 ZINC000064984592 563957643 /nfs/dbraw/zinc/95/76/43/563957643.db2.gz QLYWYEUCICSDNC-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)c1 ZINC000064984594 563957683 /nfs/dbraw/zinc/95/76/83/563957683.db2.gz MDBGOZAACVJOAZ-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cccc(C)c2C)c1 ZINC000064984595 563957670 /nfs/dbraw/zinc/95/76/70/563957670.db2.gz MDBGOZAACVJOAZ-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)cc1Cl ZINC000064984610 214820187 /nfs/dbraw/zinc/82/01/87/214820187.db2.gz JFNXQAWBZXKKGN-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1Cl ZINC000064984611 214819969 /nfs/dbraw/zinc/81/99/69/214819969.db2.gz JFNXQAWBZXKKGN-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000064984615 563957720 /nfs/dbraw/zinc/95/77/20/563957720.db2.gz BVKNXPXBWOXTTA-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000064984617 563957717 /nfs/dbraw/zinc/95/77/17/563957717.db2.gz BVKNXPXBWOXTTA-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000064984618 563957707 /nfs/dbraw/zinc/95/77/07/563957707.db2.gz AKPAURRZAHSSSV-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000064984620 563957714 /nfs/dbraw/zinc/95/77/14/563957714.db2.gz AKPAURRZAHSSSV-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000064984634 563957693 /nfs/dbraw/zinc/95/76/93/563957693.db2.gz QXAXMXNAEKDWBF-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000064984636 563957705 /nfs/dbraw/zinc/95/77/05/563957705.db2.gz QXAXMXNAEKDWBF-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)c1 ZINC000064984637 563957700 /nfs/dbraw/zinc/95/77/00/563957700.db2.gz WOVVWWAZJMMYIE-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cc(C)ccc2C)c1 ZINC000064984639 563957702 /nfs/dbraw/zinc/95/77/02/563957702.db2.gz WOVVWWAZJMMYIE-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064984649 202821765 /nfs/dbraw/zinc/82/17/65/202821765.db2.gz AKOKJZWKIMTGNR-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000064984651 563957721 /nfs/dbraw/zinc/95/77/21/563957721.db2.gz AKOKJZWKIMTGNR-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000064984652 563957692 /nfs/dbraw/zinc/95/76/92/563957692.db2.gz RMXMRROFCCVWEK-NRFANRHFSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000064984654 563957710 /nfs/dbraw/zinc/95/77/10/563957710.db2.gz RMXMRROFCCVWEK-OAQYLSRUSA-N 0 0 336.479 5.761 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)c(Cl)c1 ZINC000064984661 563957711 /nfs/dbraw/zinc/95/77/11/563957711.db2.gz HMTSNQGZAXJFPP-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)c(Cl)c1 ZINC000064984664 563957728 /nfs/dbraw/zinc/95/77/28/563957728.db2.gz HMTSNQGZAXJFPP-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000064984691 214819794 /nfs/dbraw/zinc/81/97/94/214819794.db2.gz ZEFPGBJSLXORRO-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000064984693 563957696 /nfs/dbraw/zinc/95/76/96/563957696.db2.gz ZEFPGBJSLXORRO-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000064984702 563957697 /nfs/dbraw/zinc/95/76/97/563957697.db2.gz NIACHBWONKMCMZ-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 ZINC000064984703 563957687 /nfs/dbraw/zinc/95/76/87/563957687.db2.gz NIACHBWONKMCMZ-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN COc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000064984741 563957719 /nfs/dbraw/zinc/95/77/19/563957719.db2.gz WQVOPQKSQYHAJA-IBGZPJMESA-N 0 0 338.451 5.153 50 0 EKAARN COc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064984742 563957794 /nfs/dbraw/zinc/95/77/94/563957794.db2.gz WQVOPQKSQYHAJA-LJQANCHMSA-N 0 0 338.451 5.153 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000064984773 563957788 /nfs/dbraw/zinc/95/77/88/563957788.db2.gz IHFHSNIQWCMBMW-LJQANCHMSA-N 0 0 342.870 5.798 50 0 EKAARN Cc1cccc(NC(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000064984775 563957804 /nfs/dbraw/zinc/95/78/04/563957804.db2.gz IHFHSNIQWCMBMW-IBGZPJMESA-N 0 0 342.870 5.798 50 0 EKAARN CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064984801 563957783 /nfs/dbraw/zinc/95/77/83/563957783.db2.gz KACUPVXLTSKPQR-OAQYLSRUSA-N 0 0 336.479 5.707 50 0 EKAARN CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000064984802 563957778 /nfs/dbraw/zinc/95/77/78/563957778.db2.gz KACUPVXLTSKPQR-NRFANRHFSA-N 0 0 336.479 5.707 50 0 EKAARN CCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000064984804 563957796 /nfs/dbraw/zinc/95/77/96/563957796.db2.gz PFSCCOVEBMEMJK-OAQYLSRUSA-N 0 0 336.479 5.707 50 0 EKAARN CCc1ccccc1NC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000064984805 563957799 /nfs/dbraw/zinc/95/77/99/563957799.db2.gz PFSCCOVEBMEMJK-NRFANRHFSA-N 0 0 336.479 5.707 50 0 EKAARN O=C(Nc1cccc(F)c1)N1CCCCC[C@H]1c1ccccc1Cl ZINC000064984959 563957798 /nfs/dbraw/zinc/95/77/98/563957798.db2.gz MQBSPANSDAXCGP-SFHVURJKSA-N 0 0 346.833 5.628 50 0 EKAARN O=C(Nc1cccc(F)c1)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000064984960 563957811 /nfs/dbraw/zinc/95/78/11/563957811.db2.gz MQBSPANSDAXCGP-GOSISDBHSA-N 0 0 346.833 5.628 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1Cl ZINC000064985017 563957877 /nfs/dbraw/zinc/95/78/77/563957877.db2.gz LRQNGXKMLQTNPX-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1Cl ZINC000064985018 214821614 /nfs/dbraw/zinc/82/16/14/214821614.db2.gz LRQNGXKMLQTNPX-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c(Cl)c1 ZINC000064985034 563957881 /nfs/dbraw/zinc/95/78/81/563957881.db2.gz UCVRTPWNSLHVIX-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cc(C(C)C)no2)c(Cl)c1 ZINC000064985035 563957872 /nfs/dbraw/zinc/95/78/72/563957872.db2.gz UCVRTPWNSLHVIX-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985065 563957891 /nfs/dbraw/zinc/95/78/91/563957891.db2.gz AJGMLTFVEQRTSG-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985067 563957869 /nfs/dbraw/zinc/95/78/69/563957869.db2.gz AJGMLTFVEQRTSG-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064985101 563957888 /nfs/dbraw/zinc/95/78/88/563957888.db2.gz FMJKZPNFMYDYLG-MRXNPFEDSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064985102 202821827 /nfs/dbraw/zinc/82/18/27/202821827.db2.gz FMJKZPNFMYDYLG-INIZCTEOSA-N 0 0 347.846 5.129 50 0 EKAARN Cc1ccsc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000065005094 258062149 /nfs/dbraw/zinc/06/21/49/258062149.db2.gz KBJREJPFUWOHQO-UHFFFAOYSA-N 0 0 334.400 5.566 50 0 EKAARN Cc1ccc(Oc2ccc(-c3noc(-c4ccsc4)n3)cc2)cc1 ZINC000065005157 258062355 /nfs/dbraw/zinc/06/23/55/258062355.db2.gz GSSPIHDNEJGLSS-UHFFFAOYSA-N 0 0 334.400 5.566 50 0 EKAARN Cc1ccc(Oc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1 ZINC000065005171 258062401 /nfs/dbraw/zinc/06/24/01/258062401.db2.gz MSTYMXLLBUGQBD-UHFFFAOYSA-N 0 0 334.400 5.566 50 0 EKAARN Cc1ccc(Oc2ccc(-c3noc(/C=C/c4ccco4)n3)cc2)cc1 ZINC000065005183 258062484 /nfs/dbraw/zinc/06/24/84/258062484.db2.gz TXBBGDVAOSWKER-OUKQBFOZSA-N 0 0 344.370 5.601 50 0 EKAARN Cc1cccc(Oc2ccc(-c3noc(-c4ccsc4)n3)cc2)c1 ZINC000065005193 563957966 /nfs/dbraw/zinc/95/79/66/563957966.db2.gz UZMILBYSVIMOAJ-UHFFFAOYSA-N 0 0 334.400 5.566 50 0 EKAARN Cc1cccc(Oc2ccc(-c3noc(-c4cccs4)n3)cc2)c1 ZINC000065005201 258062332 /nfs/dbraw/zinc/06/23/32/258062332.db2.gz GTRNLDSLNNJIBI-UHFFFAOYSA-N 0 0 334.400 5.566 50 0 EKAARN Cc1cccc(Oc2ccc(-c3noc(/C=C/c4ccco4)n3)cc2)c1 ZINC000065005205 258062376 /nfs/dbraw/zinc/06/23/76/258062376.db2.gz QZXALYNNRGPGGF-VAWYXSNFSA-N 0 0 344.370 5.601 50 0 EKAARN Fc1ccc(Oc2ccc(-c3noc(-c4ccsc4)n3)cc2)cc1 ZINC000065005404 258062496 /nfs/dbraw/zinc/06/24/96/258062496.db2.gz USWHWWZFDCKBJO-UHFFFAOYSA-N 0 0 338.363 5.397 50 0 EKAARN Fc1ccc(Oc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1 ZINC000065005429 258062371 /nfs/dbraw/zinc/06/23/71/258062371.db2.gz SCJOUFVMGPINKF-UHFFFAOYSA-N 0 0 338.363 5.397 50 0 EKAARN Fc1ccc(Oc2ccc(-c3noc(/C=C/c4ccco4)n3)cc2)cc1 ZINC000065005442 258062407 /nfs/dbraw/zinc/06/24/07/258062407.db2.gz QYFHQFWCGPCIOX-VAWYXSNFSA-N 0 0 348.333 5.431 50 0 EKAARN O=C(Nc1ccc(Oc2ccncc2)cc1)c1cccc2ccccc21 ZINC000065023886 564099609 /nfs/dbraw/zinc/09/96/09/564099609.db2.gz NRKWOMMIPVNDMH-UHFFFAOYSA-N 0 0 340.382 5.279 50 0 EKAARN Cc1cccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)c1 ZINC000065030021 564099710 /nfs/dbraw/zinc/09/97/10/564099710.db2.gz FWFWJMYMIMRXHV-UHFFFAOYSA-N 0 0 336.822 5.271 50 0 EKAARN Cc1cccc(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)c1 ZINC000065030033 214823034 /nfs/dbraw/zinc/82/30/34/214823034.db2.gz QMUJFXOTTWDEIU-UHFFFAOYSA-N 0 0 340.785 5.102 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1Cl ZINC000065030060 564099715 /nfs/dbraw/zinc/09/97/15/564099715.db2.gz XMCZSVCPEPJLHS-UHFFFAOYSA-N 0 0 340.785 5.102 50 0 EKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)nc2)cc1 ZINC000065030065 564099712 /nfs/dbraw/zinc/09/97/12/564099712.db2.gz ODSSDIMDZMLTHJ-UHFFFAOYSA-N 0 0 334.394 5.263 50 0 EKAARN CC(C)c1ccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1 ZINC000065030125 564099717 /nfs/dbraw/zinc/09/97/17/564099717.db2.gz LLXYMHVDICVTKB-UHFFFAOYSA-N 0 0 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5.376 50 0 EKAARN Cc1sc(Nc2ccc(Cl)cn2)nc1-c1ccc(F)c(C)c1 ZINC000067322029 564165648 /nfs/dbraw/zinc/16/56/48/564165648.db2.gz LMEVMRXYOFHPAC-UHFFFAOYSA-N 0 0 333.819 5.358 50 0 EKAARN Cc1sc(Nc2ccc(N(C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC000067322039 215134106 /nfs/dbraw/zinc/13/41/06/215134106.db2.gz BNLVNXVRJSPPSK-UHFFFAOYSA-N 0 0 343.883 5.582 50 0 EKAARN Cc1sc(Nc2ccc(Cl)cn2)nc1-c1ccc(Cl)cc1 ZINC000067322061 202911431 /nfs/dbraw/zinc/91/14/31/202911431.db2.gz AMQJQYBABTZBAO-UHFFFAOYSA-N 0 0 336.247 5.564 50 0 EKAARN Cc1sc(Nc2cccnc2)nc1-c1ccc(Br)cc1 ZINC000067322072 215133544 /nfs/dbraw/zinc/13/35/44/215133544.db2.gz GBNNDGQNNHRMKJ-UHFFFAOYSA-N 0 0 346.253 5.020 50 0 EKAARN CC(C)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 ZINC000067339174 215135307 /nfs/dbraw/zinc/13/53/07/215135307.db2.gz ITKHWPCKIOLXAK-CSKARUKUSA-N 0 0 339.822 5.862 50 0 EKAARN CCc1ccccc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067339191 215134703 /nfs/dbraw/zinc/13/47/03/215134703.db2.gz UFOHXPJDJJLELX-CSKARUKUSA-N 0 0 325.795 5.301 50 0 EKAARN Cc1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1C ZINC000067339251 564165681 /nfs/dbraw/zinc/16/56/81/564165681.db2.gz LMRKMRSHYOPQTR-VQHVLOKHSA-N 0 0 325.795 5.355 50 0 EKAARN CCc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067339267 215134791 /nfs/dbraw/zinc/13/47/91/215134791.db2.gz ASKSBORYUVPMDG-CSKARUKUSA-N 0 0 339.822 5.609 50 0 EKAARN Cc1cccc(C)c1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067339268 215135295 /nfs/dbraw/zinc/13/52/95/215135295.db2.gz HWHURBFKHFVRQI-VQHVLOKHSA-N 0 0 325.795 5.355 50 0 EKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cccc(C)c3)oc21 ZINC000067339491 215135126 /nfs/dbraw/zinc/13/51/26/215135126.db2.gz HTIHTWZBPASZEQ-VOTSOKGWSA-N 0 0 341.794 5.055 50 0 EKAARN COc1ccc2oc(/C=C/C(=O)Nc3ccc(C(C)C)cc3)cc2c1 ZINC000067339544 215134831 /nfs/dbraw/zinc/13/48/31/215134831.db2.gz FJPKWYNGEDPSRH-PKNBQFBNSA-N 0 0 335.403 5.217 50 0 EKAARN CCCCc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000067339621 215135003 /nfs/dbraw/zinc/13/50/03/215135003.db2.gz PUKYSNWAXQUIKM-ACCUITESSA-N 0 0 349.430 5.436 50 0 EKAARN Cc1ccc2oc(/C=C/C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1 ZINC000067339641 202911366 /nfs/dbraw/zinc/91/13/66/202911366.db2.gz PNIUKBPTQUKATQ-QPJJXVBHSA-N 0 0 346.213 5.700 50 0 EKAARN Cc1ccc2oc(/C=C/C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 ZINC000067339645 564165688 /nfs/dbraw/zinc/16/56/88/564165688.db2.gz FWMQQOJTRKIQKC-QPJJXVBHSA-N 0 0 346.213 5.700 50 0 EKAARN Cc1ccc2cc(/C=C/C(=O)Nc3ccc(Cl)c(Cl)c3)oc2c1 ZINC000067339728 215134740 /nfs/dbraw/zinc/13/47/40/215134740.db2.gz HEJYRDRXMBGDMR-FNORWQNLSA-N 0 0 346.213 5.700 50 0 EKAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1cc2ccc(C)cc2o1 ZINC000067339816 215134995 /nfs/dbraw/zinc/13/49/95/215134995.db2.gz SIKNLLLNAZBDMA-SOFGYWHQSA-N 0 0 341.794 5.055 50 0 EKAARN COc1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1Cl ZINC000067339819 215135014 /nfs/dbraw/zinc/13/50/14/215135014.db2.gz NQUZHMDMHSMCOS-SOFGYWHQSA-N 0 0 341.794 5.055 50 0 EKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccccc3C)oc21 ZINC000067339922 215134534 /nfs/dbraw/zinc/13/45/34/215134534.db2.gz ASEZIIFJFBXQLD-BQYQJAHWSA-N 0 0 341.794 5.055 50 0 EKAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C)cc3)oc21 ZINC000067339961 215134990 /nfs/dbraw/zinc/13/49/90/215134990.db2.gz UJEAYIGWNRYGBO-BQYQJAHWSA-N 0 0 341.794 5.055 50 0 EKAARN Cc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c(C)c1 ZINC000067340014 215134931 /nfs/dbraw/zinc/13/49/31/215134931.db2.gz UIXOJGFNJQDEOC-VMPITWQZSA-N 0 0 325.795 5.355 50 0 EKAARN CCOc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 ZINC000067340019 215135336 /nfs/dbraw/zinc/13/53/36/215135336.db2.gz VASWXTFRSZEHTM-CSKARUKUSA-N 0 0 341.794 5.137 50 0 EKAARN CCOc1ccccc1NC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067340020 202911615 /nfs/dbraw/zinc/91/16/15/202911615.db2.gz PMFSXQQDVIVZPF-CSKARUKUSA-N 0 0 341.794 5.137 50 0 EKAARN Cc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1C ZINC000067340022 202912128 /nfs/dbraw/zinc/91/21/28/202912128.db2.gz XHHBCLRXZRPAKM-SOFGYWHQSA-N 0 0 325.795 5.355 50 0 EKAARN Cc1ccccc1CSC1=NC2(CCCCC2)Nc2ccccc21 ZINC000067341482 215135251 /nfs/dbraw/zinc/13/52/51/215135251.db2.gz KHWUILYMYCNNAS-UHFFFAOYSA-N 0 0 336.504 5.761 50 0 EKAARN CCc1nn2c(nccc2-c2ccsc2)c1-c1ccc(Cl)cc1 ZINC000067630519 215170780 /nfs/dbraw/zinc/17/07/80/215170780.db2.gz YSEGKDFKSYFFGM-UHFFFAOYSA-N 0 0 339.851 5.341 50 0 EKAARN C[C@@H](c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1)[NH+]1CCCCC1 ZINC000067688511 215184869 /nfs/dbraw/zinc/18/48/69/215184869.db2.gz MPZDCOORZZDYCK-AWEZNQCLSA-N 0 0 343.854 5.252 50 0 EKAARN C[C@H](c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1)[NH+]1CCCCC1 ZINC000067688512 215184476 /nfs/dbraw/zinc/18/44/76/215184476.db2.gz MPZDCOORZZDYCK-CQSZACIVSA-N 0 0 343.854 5.252 50 0 EKAARN Cc1ccccc1Oc1ncccc1CNc1ccc2ccccc2n1 ZINC000067770197 215207600 /nfs/dbraw/zinc/20/76/00/215207600.db2.gz RENRTMKDXGYMDX-UHFFFAOYSA-N 0 0 341.414 5.343 50 0 EKAARN c1cn(-c2cccc3c(-c4ccccc4)ccnc32)c(-c2cccnc2)n1 ZINC000067843261 215228828 /nfs/dbraw/zinc/22/88/28/215228828.db2.gz FQNRRWQEDJVGJQ-UHFFFAOYSA-N 0 0 348.409 5.150 50 0 EKAARN Cc1ccsc1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000067935156 215254848 /nfs/dbraw/zinc/25/48/48/215254848.db2.gz PNHHOVSWMRJEEZ-UHFFFAOYSA-N 0 0 346.883 5.305 50 0 EKAARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1CCC1=CCCCC1 ZINC000067947989 563963157 /nfs/dbraw/zinc/96/31/57/563963157.db2.gz ILVQDRZFBAXHRD-UHFFFAOYSA-N 0 0 332.451 5.139 50 0 EKAARN Cc1nc2cc(Cl)cc(Cl)c2c(Br)c1Cl ZINC000068135753 215280332 /nfs/dbraw/zinc/28/03/32/215280332.db2.gz ZHRILYHOTWHIQF-UHFFFAOYSA-N 0 0 325.420 5.266 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)c1cccnc1 ZINC000068523848 215314899 /nfs/dbraw/zinc/31/48/99/215314899.db2.gz QFUGQLJMLOXZPW-INIZCTEOSA-N 0 0 339.483 5.553 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)c1cccnc1 ZINC000068523852 215315800 /nfs/dbraw/zinc/31/58/00/215315800.db2.gz QFUGQLJMLOXZPW-MRXNPFEDSA-N 0 0 339.483 5.553 50 0 EKAARN c1ccc(C23c4ccccc4C(c4ccccc42)c2ccccc23)cc1 ZINC000068565050 215318604 /nfs/dbraw/zinc/31/86/04/215318604.db2.gz XCTQVOJXLXFEML-UHFFFAOYSA-N 0 0 330.430 5.876 50 0 EKAARN c1c(-c2nc3ccccc3o2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000068603133 563963291 /nfs/dbraw/zinc/96/32/91/563963291.db2.gz DUIAEUYTZLRGGS-UHFFFAOYSA-N 0 0 337.382 5.348 50 0 EKAARN CCC(=O)Nc1c2ccccc2oc1C(=O)Cc1c(C)cc(C)cc1C ZINC000068603810 215322244 /nfs/dbraw/zinc/32/22/44/215322244.db2.gz FJECYVOHZFCFDY-UHFFFAOYSA-N 0 0 349.430 5.132 50 0 EKAARN Cc1cc2cc(-c3ccccc3)c(=O)c(-c3ccccc3)cc2cc1C ZINC000068603917 202968841 /nfs/dbraw/zinc/96/88/41/202968841.db2.gz VUDXPGSIKDVAGF-UHFFFAOYSA-N 0 0 336.434 6.151 50 0 EKAARN O=C1c2ccccc2C(=C2C=Cc3ccccc3C=C2)c2ccccc21 ZINC000068603990 215321254 /nfs/dbraw/zinc/32/12/54/215321254.db2.gz NDDKSYPGABBXBG-UHFFFAOYSA-N 0 0 332.402 5.773 50 0 EKAARN C[C@@H](CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 ZINC000068605839 563963285 /nfs/dbraw/zinc/96/32/85/563963285.db2.gz OWUPTAZEPQQUSB-IBGZPJMESA-N 0 0 340.470 5.978 50 0 EKAARN C[C@H](CN(Cc1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 ZINC000068605845 563963284 /nfs/dbraw/zinc/96/32/84/563963284.db2.gz OWUPTAZEPQQUSB-LJQANCHMSA-N 0 0 340.470 5.978 50 0 EKAARN CCN(C(=O)Nc1cccnc1Cl)[C@H](C)c1cc2ccccc2o1 ZINC000068649558 215324671 /nfs/dbraw/zinc/32/46/71/215324671.db2.gz SOLWFDUGJHBZEJ-GFCCVEGCSA-N 0 0 343.814 5.096 50 0 EKAARN COc1ccc(Nc2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000068754770 215331061 /nfs/dbraw/zinc/33/10/61/215331061.db2.gz UHHGXJHYMXOSPK-UHFFFAOYSA-N 0 0 334.206 5.136 50 0 EKAARN COc1ccc2cc([C@H](C)C(=O)Nc3c(C)cccc3C)ccc2c1 ZINC000068755457 215330828 /nfs/dbraw/zinc/33/08/28/215330828.db2.gz HODGTDNBLFECDJ-INIZCTEOSA-N 0 0 333.431 5.207 50 0 EKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2c1 ZINC000068755465 215331209 /nfs/dbraw/zinc/33/12/09/215331209.db2.gz HODGTDNBLFECDJ-MRXNPFEDSA-N 0 0 333.431 5.207 50 0 EKAARN COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3Cl)ccc2c1 ZINC000068755472 215331578 /nfs/dbraw/zinc/33/15/78/215331578.db2.gz QJCKJVYVSGLARM-CYBMUJFWSA-N 0 0 339.822 5.244 50 0 EKAARN CCc1ccccc1NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000068755565 215331581 /nfs/dbraw/zinc/33/15/81/215331581.db2.gz NSUCUUIJPUCHCS-OAHLLOKOSA-N 0 0 333.431 5.153 50 0 EKAARN Cc1cc(C)c2sc3c(ncnc3Nc3ccc(Cl)cc3)c2n1 ZINC000068755711 563963313 /nfs/dbraw/zinc/96/33/13/563963313.db2.gz RILKOYXJGYILMY-UHFFFAOYSA-N 0 0 340.839 5.253 50 0 EKAARN Cc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000068922460 215346132 /nfs/dbraw/zinc/34/61/32/215346132.db2.gz UTJLWWKTBQFXCL-UHFFFAOYSA-N 0 0 329.830 6.531 50 0 EKAARN c1cc(-c2nc(CNCc3ccc4ccccc4c3)cs2)cs1 ZINC000069063985 564168316 /nfs/dbraw/zinc/16/83/16/564168316.db2.gz GBTRYVDYBYTBHT-UHFFFAOYSA-N 0 0 336.485 5.315 50 0 EKAARN O=C(Nc1ccnn1C1CCCC1)c1sc2ccccc2c1Cl ZINC000069209917 215370199 /nfs/dbraw/zinc/37/01/99/215370199.db2.gz VCTCDQQMRCUGED-UHFFFAOYSA-N 0 0 345.855 5.119 50 0 EKAARN CN(C(=O)c1cc2cc(Cl)ccc2o1)c1cccc2ccccc21 ZINC000069322845 215377228 /nfs/dbraw/zinc/37/72/28/215377228.db2.gz KDALQJAIZVFVBE-UHFFFAOYSA-N 0 0 335.790 5.516 50 0 EKAARN Cc1cc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)on1 ZINC000069352185 215388130 /nfs/dbraw/zinc/38/81/30/215388130.db2.gz LINXZLHGELDFTQ-UHFFFAOYSA-N 0 0 344.823 5.040 50 0 EKAARN O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000069441083 564169516 /nfs/dbraw/zinc/16/95/16/564169516.db2.gz MJXBEALCCAKSCJ-PZJWPPBQSA-N 0 0 348.490 5.321 50 0 EKAARN O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000069441087 564169513 /nfs/dbraw/zinc/16/95/13/564169513.db2.gz MJXBEALCCAKSCJ-TZIWHRDSSA-N 0 0 348.490 5.321 50 0 EKAARN O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000069441091 564169509 /nfs/dbraw/zinc/16/95/09/564169509.db2.gz MJXBEALCCAKSCJ-FPOVZHCZSA-N 0 0 348.490 5.321 50 0 EKAARN O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000069441094 215416302 /nfs/dbraw/zinc/41/63/02/215416302.db2.gz MJXBEALCCAKSCJ-CTNGQTDRSA-N 0 0 348.490 5.321 50 0 EKAARN Cc1ccc(CN(C(=O)c2cccc(Oc3ccccc3)c2)C2CC2)o1 ZINC000069563169 564170506 /nfs/dbraw/zinc/17/05/06/564170506.db2.gz HPKQQNGNRYDLQL-UHFFFAOYSA-N 0 0 347.414 5.185 50 0 EKAARN CN(C(=O)c1cc(Cl)sc1Cl)c1ccc2ccccc2c1 ZINC000069612409 564170878 /nfs/dbraw/zinc/17/08/78/564170878.db2.gz RPRCTDQBSMCMKP-UHFFFAOYSA-N 0 0 336.243 5.485 50 0 EKAARN CC(=O)N(c1nc(CSc2cccs2)cs1)c1ccccc1 ZINC000069657441 564171277 /nfs/dbraw/zinc/17/12/77/564171277.db2.gz CHEMBBAAMVYCRX-UHFFFAOYSA-N 0 0 346.502 5.182 50 0 EKAARN CCc1ccc(C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000069696812 564171474 /nfs/dbraw/zinc/17/14/74/564171474.db2.gz QITCRWIWJXPVTE-UHFFFAOYSA-N 0 0 335.222 5.050 50 0 EKAARN Cc1cccc(OC(F)F)c1NC(=O)c1sccc1C(C)C ZINC000069777626 564172159 /nfs/dbraw/zinc/17/21/59/564172159.db2.gz USJUVZAQLGEGGY-UHFFFAOYSA-N 0 0 325.380 5.034 50 0 EKAARN Fc1cccc(CSCc2csc(-c3ccccc3)n2)c1F ZINC000069814461 564172338 /nfs/dbraw/zinc/17/23/38/564172338.db2.gz SVOOMNGJVWGEPA-UHFFFAOYSA-N 0 0 333.428 5.522 50 0 EKAARN Cc1cc([C@H]2CCCN2c2cc(C)c3cccc(C(C)C)c3n2)no1 ZINC000069819124 203054856 /nfs/dbraw/zinc/05/48/56/203054856.db2.gz JZSIXXVTBIAOPL-LJQANCHMSA-N 0 0 335.451 5.305 50 0 EKAARN Cc1cc([C@@H]2CCCN2c2cc(C)c3cccc(C(C)C)c3n2)no1 ZINC000069819127 203055455 /nfs/dbraw/zinc/05/54/55/203055455.db2.gz JZSIXXVTBIAOPL-IBGZPJMESA-N 0 0 335.451 5.305 50 0 EKAARN CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc2ccccc2c1 ZINC000069976803 564173070 /nfs/dbraw/zinc/17/30/70/564173070.db2.gz MHPMMFZHJKAQQZ-UHFFFAOYSA-N 0 0 345.855 5.004 50 0 EKAARN O=C(Oc1ccc(C2CCC(=O)CC2)cc1)c1ccc2ccccc2c1 ZINC000070018565 203070117 /nfs/dbraw/zinc/07/01/17/203070117.db2.gz PQIJWBITCCBKIO-UHFFFAOYSA-N 0 0 344.410 5.286 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)c1ccc(-c2cnco2)cc1 ZINC000070038911 564173450 /nfs/dbraw/zinc/17/34/50/564173450.db2.gz GMBMYRMDKOIGTE-UHFFFAOYSA-N 0 0 346.411 5.322 50 0 EKAARN Cc1cccnc1[C@H](NCc1csc(-c2ccsc2)n1)C(C)C ZINC000070039273 564173460 /nfs/dbraw/zinc/17/34/60/564173460.db2.gz FDBZITXQOKXWIC-MRXNPFEDSA-N 0 0 343.521 5.062 50 0 EKAARN Cc1cccnc1[C@@H](NCc1csc(-c2ccsc2)n1)C(C)C ZINC000070039274 564173482 /nfs/dbraw/zinc/17/34/82/564173482.db2.gz FDBZITXQOKXWIC-INIZCTEOSA-N 0 0 343.521 5.062 50 0 EKAARN CCN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CCCC1 ZINC000070039860 203072105 /nfs/dbraw/zinc/07/21/05/203072105.db2.gz KBFLPBXQJOSZKK-UHFFFAOYSA-N 0 0 346.474 5.094 50 0 EKAARN FC(F)(F)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000070247500 563963904 /nfs/dbraw/zinc/96/39/04/563963904.db2.gz WPKHHAGEYXUPDF-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN O=C(Nc1ccc(-c2nccs2)cc1)c1occc1-c1ccccc1 ZINC000070719414 564174314 /nfs/dbraw/zinc/17/43/14/564174314.db2.gz LKIADFYRMDMAQP-UHFFFAOYSA-N 0 0 346.411 5.322 50 0 EKAARN Oc1ccc(-c2cc(Nc3cc(Cl)cc4ccsc43)n[nH]2)cc1 ZINC000071257079 563964062 /nfs/dbraw/zinc/96/40/62/563964062.db2.gz GSUHFFPVQTYCOG-UHFFFAOYSA-N 0 0 341.823 5.394 50 0 EKAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000071280291 215750417 /nfs/dbraw/zinc/75/04/17/215750417.db2.gz HQYYKQFLEBXZIW-SFHVURJKSA-N 0 0 347.418 5.380 50 0 EKAARN CC(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000071280292 564174871 /nfs/dbraw/zinc/17/48/71/564174871.db2.gz HQYYKQFLEBXZIW-GOSISDBHSA-N 0 0 347.418 5.380 50 0 EKAARN O=C1CS[C@H](c2c(Cl)cccc2Cl)c2sccc2N1 ZINC000071281642 564174891 /nfs/dbraw/zinc/17/48/91/564174891.db2.gz LGSNOJWFGNTPLW-CYBMUJFWSA-N 0 0 330.261 5.479 50 0 EKAARN O=C1CS[C@@H](c2c(Cl)cccc2Cl)c2sccc2N1 ZINC000071281643 564174914 /nfs/dbraw/zinc/17/49/14/564174914.db2.gz LGSNOJWFGNTPLW-ZDUSSCGKSA-N 0 0 330.261 5.479 50 0 EKAARN O=C1CS[C@H](c2ccc(OC3CCCC3)cc2)c2sccc2N1 ZINC000071282346 564174905 /nfs/dbraw/zinc/17/49/05/564174905.db2.gz ATNFGWNUHANXAV-QGZVFWFLSA-N 0 0 345.489 5.494 50 0 EKAARN O=C1CS[C@@H](c2ccc(OC3CCCC3)cc2)c2sccc2N1 ZINC000071282349 564174915 /nfs/dbraw/zinc/17/49/15/564174915.db2.gz ATNFGWNUHANXAV-KRWDZBQOSA-N 0 0 345.489 5.494 50 0 EKAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)c2sccc2N1 ZINC000071282967 203089479 /nfs/dbraw/zinc/08/94/79/203089479.db2.gz FBVRGRWJZOMDGF-GFCCVEGCSA-N 0 0 329.368 5.191 50 0 EKAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)c2sccc2N1 ZINC000071282968 563915721 /nfs/dbraw/zinc/91/57/21/563915721.db2.gz FBVRGRWJZOMDGF-LBPRGKRZSA-N 0 0 329.368 5.191 50 0 EKAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)c2sccc2N1 ZINC000071283274 564110845 /nfs/dbraw/zinc/11/08/45/564110845.db2.gz NCUANKUBWVGPPD-GFCCVEGCSA-N 0 0 330.261 5.479 50 0 EKAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)c2sccc2N1 ZINC000071283275 203090325 /nfs/dbraw/zinc/09/03/25/203090325.db2.gz NCUANKUBWVGPPD-LBPRGKRZSA-N 0 0 330.261 5.479 50 0 EKAARN O=C1CS[C@H](c2cc(C(F)(F)F)ccc2F)c2sccc2N1 ZINC000071283769 564110834 /nfs/dbraw/zinc/11/08/34/564110834.db2.gz WONPAYKNHXPVHA-GFCCVEGCSA-N 0 0 347.358 5.330 50 0 EKAARN O=C1CS[C@@H](c2cc(C(F)(F)F)ccc2F)c2sccc2N1 ZINC000071283770 564110863 /nfs/dbraw/zinc/11/08/63/564110863.db2.gz WONPAYKNHXPVHA-LBPRGKRZSA-N 0 0 347.358 5.330 50 0 EKAARN O=C1N=C(Nc2ccc(F)cc2)C(=Cc2ccc3ncccc3c2)S1 ZINC000071284543 564110879 /nfs/dbraw/zinc/11/08/79/564110879.db2.gz RNBFILOVXIJVPR-BOPFTXTBSA-N 0 0 349.390 5.092 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc3ccccc32)S1 ZINC000071285616 215754132 /nfs/dbraw/zinc/75/41/32/215754132.db2.gz UPHCCTQFMOWRTI-QGZVFWFLSA-N 0 0 337.448 5.209 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccsc2)S1 ZINC000071286551 564110936 /nfs/dbraw/zinc/11/09/36/564110936.db2.gz SQAVPUNBGHDNMW-HNNXBMFYSA-N 0 0 347.509 5.432 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccsc2)S1 ZINC000071286554 564110915 /nfs/dbraw/zinc/11/09/15/564110915.db2.gz SQAVPUNBGHDNMW-OAHLLOKOSA-N 0 0 347.509 5.432 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCCC2)[C@H](C(F)(F)F)S1 ZINC000071286762 564110922 /nfs/dbraw/zinc/11/09/22/564110922.db2.gz SQDLBWZXFRNYNV-GFCCVEGCSA-N 0 0 347.406 5.274 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCCC2)[C@@H](C(F)(F)F)S1 ZINC000071286764 564110956 /nfs/dbraw/zinc/11/09/56/564110956.db2.gz SQDLBWZXFRNYNV-LBPRGKRZSA-N 0 0 347.406 5.274 50 0 EKAARN Cc1nn2c(nccc2-c2ccc(C)cc2)c1-c1cccc(Cl)c1 ZINC000071375591 215765018 /nfs/dbraw/zinc/76/50/18/215765018.db2.gz MFMBMCMIKAZFKB-UHFFFAOYSA-N 0 0 333.822 5.334 50 0 EKAARN Fc1ccc(-c2cnn3c2nccc3-c2cccc3ccccc32)cc1 ZINC000071375701 563964218 /nfs/dbraw/zinc/96/42/18/563964218.db2.gz BHLIUHJGZRYPIK-UHFFFAOYSA-N 0 0 339.373 5.356 50 0 EKAARN COc1ccccc1-c1ccnc2c(-c3cccc(Cl)c3)c(C)nn21 ZINC000071375706 203093338 /nfs/dbraw/zinc/09/33/38/203093338.db2.gz SWQDRNGALAFCAF-UHFFFAOYSA-N 0 0 349.821 5.034 50 0 EKAARN Cc1nn2c(nccc2-c2ccccc2Cl)c1-c1ccc(F)cc1 ZINC000071375964 203094190 /nfs/dbraw/zinc/09/41/90/203094190.db2.gz YKHLGSARVVDAPC-UHFFFAOYSA-N 0 0 337.785 5.164 50 0 EKAARN COc1cccc(-c2ccnc3c(-c4cccc(Cl)c4)c(C)nn32)c1 ZINC000071376191 563964203 /nfs/dbraw/zinc/96/42/03/563964203.db2.gz FELSPCSVRBGXNO-UHFFFAOYSA-N 0 0 349.821 5.034 50 0 EKAARN CCc1nn2c(nccc2-c2ccc(C)cc2)c1-c1ccc(F)cc1 ZINC000071376196 563964205 /nfs/dbraw/zinc/96/42/05/563964205.db2.gz UZIIWHQIUYBZKU-UHFFFAOYSA-N 0 0 331.394 5.073 50 0 EKAARN Cc1nn2c(nccc2-c2ccsc2)c1-c1cccc(Cl)c1 ZINC000071376517 563964211 /nfs/dbraw/zinc/96/42/11/563964211.db2.gz BENZGIUPNDUICX-UHFFFAOYSA-N 0 0 325.824 5.087 50 0 EKAARN Cc1nn2c(nccc2-c2cccs2)c1-c1cccc(Cl)c1 ZINC000071384758 563964234 /nfs/dbraw/zinc/96/42/34/563964234.db2.gz OPUYRUOTZKHJHK-UHFFFAOYSA-N 0 0 325.824 5.087 50 0 EKAARN Cc1nn2c(nccc2-c2ccc(F)cc2)c1-c1cccc(Cl)c1 ZINC000071384760 563964242 /nfs/dbraw/zinc/96/42/42/563964242.db2.gz ONEMLEGKEFKJHN-UHFFFAOYSA-N 0 0 337.785 5.164 50 0 EKAARN Cc1nn2c(nccc2-c2ccc(Cl)cc2)c1-c1ccc(F)cc1 ZINC000071384862 563964274 /nfs/dbraw/zinc/96/42/74/563964274.db2.gz UDNXDKGGWLGSTN-UHFFFAOYSA-N 0 0 337.785 5.164 50 0 EKAARN O=C(NC1(c2ccccc2)CCCC1)NC1(c2ccccc2)CCCC1 ZINC000071405499 564175019 /nfs/dbraw/zinc/17/50/19/564175019.db2.gz SDYPEWQWSKHTAL-UHFFFAOYSA-N 0 0 348.490 5.225 50 0 EKAARN c1ccc2[nH]c(CCCCCCCCCC[C@@H]3CCOC3)nc2c1 ZINC000071405971 564174998 /nfs/dbraw/zinc/17/49/98/564174998.db2.gz ICPBCYCLRJVGQD-GOSISDBHSA-N 0 0 328.500 5.653 50 0 EKAARN c1ccc2[nH]c(CCCCCCCCCC[C@H]3CCOC3)nc2c1 ZINC000071405972 564175000 /nfs/dbraw/zinc/17/50/00/564175000.db2.gz ICPBCYCLRJVGQD-SFHVURJKSA-N 0 0 328.500 5.653 50 0 EKAARN c1ccc(CCCCCCCCCCc2nc3ccccc3[nH]2)cc1 ZINC000071405983 564175025 /nfs/dbraw/zinc/17/50/25/564175025.db2.gz HZTJIZRXRXGFSX-UHFFFAOYSA-N 0 0 334.507 6.469 50 0 EKAARN c1ccc([C@@H]2CC(c3ccc4c(c3)CCC4)=NN2c2ccccc2)cc1 ZINC000071408875 563964279 /nfs/dbraw/zinc/96/42/79/563964279.db2.gz UMXYRPXVEQXGNX-DEOSSOPVSA-N 0 0 338.454 5.531 50 0 EKAARN c1ccc([C@H]2CC(c3ccc4c(c3)CCC4)=NN2c2ccccc2)cc1 ZINC000071408877 563964301 /nfs/dbraw/zinc/96/43/01/563964301.db2.gz UMXYRPXVEQXGNX-XMMPIXPASA-N 0 0 338.454 5.531 50 0 EKAARN Clc1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000071613669 563964625 /nfs/dbraw/zinc/96/46/25/563964625.db2.gz WAGIESWOTQOLJS-UHFFFAOYSA-N 0 0 347.672 6.827 50 0 EKAARN CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1 ZINC000071746265 563982934 /nfs/dbraw/zinc/98/29/34/563982934.db2.gz PCNJGBMWAZRVEA-UHFFFAOYSA-N 0 0 333.431 5.294 50 0 in-vitro EKAARN CC(=O)c1ccc(-c2ccc(-c3nc(C)c(C(C)=O)s3)s2)s1 ZINC000071746338 215801047 /nfs/dbraw/zinc/80/10/47/215801047.db2.gz JGHOWODIMFKHTL-UHFFFAOYSA-N 0 0 347.486 5.314 50 0 EKAARN Cc1c2cc(C)cc(CNc3ccc(C)nn3)c2[nH]c1-c1ccccc1 ZINC000071756842 563965283 /nfs/dbraw/zinc/96/52/83/563965283.db2.gz QKNNJZVKTQUEEZ-UHFFFAOYSA-N 0 0 342.446 5.162 50 0 EKAARN Cc1ccc([C@@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000071767209 563965534 /nfs/dbraw/zinc/96/55/34/563965534.db2.gz GXWLUVGEADLUOI-LEWJYISDSA-N 0 0 337.850 5.083 50 0 EKAARN Cc1ccc([C@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1 ZINC000071767210 563965538 /nfs/dbraw/zinc/96/55/38/563965538.db2.gz GXWLUVGEADLUOI-NHCUHLMSSA-N 0 0 337.850 5.083 50 0 EKAARN Cc1ccc([C@@H](c2ccccn2)[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000071767211 215821669 /nfs/dbraw/zinc/82/16/69/215821669.db2.gz GXWLUVGEADLUOI-SFTDATJTSA-N 0 0 337.850 5.083 50 0 EKAARN Cc1ccc([C@H](c2ccccn2)[C@@](C)(O)c2cccc(Cl)c2)cc1 ZINC000071767212 215822284 /nfs/dbraw/zinc/82/22/84/215822284.db2.gz GXWLUVGEADLUOI-RTWAWAEBSA-N 0 0 337.850 5.083 50 0 EKAARN Cc1nn(C2CCCCC2)c(Cl)c1C(=O)c1ccccc1Cl ZINC000071767377 563965526 /nfs/dbraw/zinc/96/55/26/563965526.db2.gz XAJXSNDVYNRSMT-UHFFFAOYSA-N 0 0 337.250 5.235 50 0 EKAARN CCCCC(O)(CCCC)COCC(O)(CCCC)CCCC ZINC000071769150 203111633 /nfs/dbraw/zinc/11/16/33/203111633.db2.gz BTPOPKHAWHHXDX-UHFFFAOYSA-N 0 0 330.553 5.226 50 0 EKAARN Cc1cc(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1 ZINC000071769243 563920862 /nfs/dbraw/zinc/92/08/62/563920862.db2.gz JNIHHAOYNCZTFZ-UHFFFAOYSA-N 0 0 332.443 5.770 50 0 EKAARN CC(C)(C)c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000071769256 563920876 /nfs/dbraw/zinc/92/08/76/563920876.db2.gz ZXFUBXJQBHXKNG-UHFFFAOYSA-N 0 0 346.470 6.142 50 0 EKAARN CCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)OCCCC ZINC000071769647 215822956 /nfs/dbraw/zinc/82/29/56/215822956.db2.gz RLAUYBGFFNIGJH-MRXNPFEDSA-N 0 0 334.456 5.159 50 0 EKAARN CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)OCCCC ZINC000071769648 215822858 /nfs/dbraw/zinc/82/28/58/215822858.db2.gz RLAUYBGFFNIGJH-INIZCTEOSA-N 0 0 334.456 5.159 50 0 EKAARN COc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1OC ZINC000071770090 563965620 /nfs/dbraw/zinc/96/56/20/563965620.db2.gz HASSZFMHJAMNQN-UHFFFAOYSA-N 0 0 329.399 5.519 50 0 EKAARN COc1cccc(CC[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 ZINC000071770171 563965598 /nfs/dbraw/zinc/96/55/98/563965598.db2.gz AEDYYZXXYWLYCO-QFIPXVFZSA-N 0 0 346.426 5.000 50 0 EKAARN COc1cccc(CC[C@@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 ZINC000071770172 563965623 /nfs/dbraw/zinc/96/56/23/563965623.db2.gz AEDYYZXXYWLYCO-JOCHJYFZSA-N 0 0 346.426 5.000 50 0 EKAARN Cc1[nH]c2ccccc2c1C(=O)C(c1ccccc1)c1ccccc1 ZINC000071770199 563965605 /nfs/dbraw/zinc/96/56/05/563965605.db2.gz ODCCKDFIPROZFD-UHFFFAOYSA-N 0 0 325.411 5.491 50 0 EKAARN CCOC(=O)c1ccc(NC2c3ccccc3Oc3ccccc32)cc1 ZINC000071770704 215823221 /nfs/dbraw/zinc/82/32/21/215823221.db2.gz MYWDEIPJSXLLNJ-UHFFFAOYSA-N 0 0 345.398 5.171 50 0 EKAARN O=C(/C=C/c1ccccc1)Nc1ccccc1SCc1ccccc1 ZINC000071770874 203111890 /nfs/dbraw/zinc/11/18/90/203111890.db2.gz DNOVDEWGALLQAZ-FOCLMDBBSA-N 0 0 345.467 5.631 50 0 EKAARN CC1=C[C@@H]2C(C(=O)Oc3ccc4ccccc4c3)=C[C@H]1C[C@@H]2C(C)C ZINC000071773457 563965687 /nfs/dbraw/zinc/96/56/87/563965687.db2.gz GVTUQEGQEVADFM-NRSPTQNISA-N 0 0 332.443 5.540 50 0 EKAARN CCCCCCc1ccc(-c2ccc(Br)s2)s1 ZINC000071773569 563965697 /nfs/dbraw/zinc/96/56/97/563965697.db2.gz QNMUCNVCVAUOQU-UHFFFAOYSA-N 0 0 329.328 6.362 50 0 EKAARN CCOc1ccc(C(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1 ZINC000071775254 258063983 /nfs/dbraw/zinc/06/39/83/258063983.db2.gz RIHBMDQJRQFMJT-UHFFFAOYSA-N 0 0 346.213 5.171 50 0 EKAARN Cc1cc2c(cc1C)C1c3cc(C)c(C)cc3C2C=C1Br ZINC000071782672 215826491 /nfs/dbraw/zinc/82/64/91/215826491.db2.gz VNYCBMAOUILTRL-UHFFFAOYSA-N 0 0 339.276 5.790 50 0 EKAARN Cc1cc2c(cc1C)C1c3cc(C)c(C)cc3C2c2cc(C)c(C)cc21 ZINC000071782673 563929665 /nfs/dbraw/zinc/92/96/65/563929665.db2.gz RWXYCSPUXUOCEL-UHFFFAOYSA-N 0 0 338.494 6.524 50 0 EKAARN Cc1c(C)c(Br)c(Cl)c(Cl)c1Br ZINC000071782698 215826676 /nfs/dbraw/zinc/82/66/76/215826676.db2.gz MZOVGMRJOUCTOA-UHFFFAOYSA-N 0 0 332.850 5.135 50 0 EKAARN c1ccc2c(c1)cccc2-c1cccc(-c2cccc3ccccc32)c1 ZINC000071782709 215826884 /nfs/dbraw/zinc/82/68/84/215826884.db2.gz NLUPODAZKLAMMC-UHFFFAOYSA-N 0 0 330.430 7.327 50 0 EKAARN c1cc2ccc1CCCCCCCCCCCCc1ccc(cc1)C2 ZINC000071782783 203113212 /nfs/dbraw/zinc/11/32/12/203113212.db2.gz CAFPOHHQRDPFIQ-UHFFFAOYSA-N 0 0 334.547 7.277 50 0 EKAARN C(/C=C/c1ccc(/C=C\C=C/c2ccccc2)cc1)=C\c1ccccc1 ZINC000071782796 203112613 /nfs/dbraw/zinc/11/26/13/203112613.db2.gz RDXVBJMYWDYESH-NTQRQGTMSA-N 0 0 334.462 7.140 50 0 EKAARN C1CCCC2CCC(CCCCCCC3CCC(CC1)CC3)CC2 ZINC000071782861 563965785 /nfs/dbraw/zinc/96/57/85/563965785.db2.gz LEEREDBGISIIJY-UHFFFAOYSA-N 0 0 332.616 8.294 50 0 EKAARN c1cc2ccc1CCCCCCC1CCC(CCCCCC2)CC1 ZINC000071782881 564076287 /nfs/dbraw/zinc/07/62/87/564076287.db2.gz BIDLJWBYRLNEDJ-UHFFFAOYSA-N 0 0 326.568 7.493 50 0 EKAARN c1ccc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000071782973 215826231 /nfs/dbraw/zinc/82/62/31/215826231.db2.gz KGSFMPRFQVLGTJ-UHFFFAOYSA-N 0 0 334.462 6.264 50 0 EKAARN C1=C(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000071784948 215826893 /nfs/dbraw/zinc/82/68/93/215826893.db2.gz HPSBBDGPOWEYOI-UHFFFAOYSA-N 0 0 344.457 6.466 50 0 EKAARN c1cc2c3c(cccc3c1)[C@H]1C[C@@H]3c4cccc5cccc(c45)[C@H]3C[C@@H]21 ZINC000071784949 564076289 /nfs/dbraw/zinc/07/62/89/564076289.db2.gz UFWHXJPHNAASJP-YCAMKHIRSA-N 0 0 332.446 6.849 50 0 EKAARN c1cc2c3c(cccc3c1)[C@@H]1C[C@@H]3c4cccc5cccc(c45)[C@@H]3C[C@@H]21 ZINC000071784951 564076311 /nfs/dbraw/zinc/07/63/11/564076311.db2.gz UFWHXJPHNAASJP-NEWJYFPISA-N 0 0 332.446 6.849 50 0 EKAARN C[C@@H]1C[C@@H]2CCc3ccc4ccccc4c3[C@@H]2c2c3ccccc3ccc21 ZINC000071785195 563929695 /nfs/dbraw/zinc/92/96/95/563929695.db2.gz QGYAOHODJSDTPT-FQHLQPMKSA-N 0 0 348.489 7.195 50 0 EKAARN C[C@@H]1C[C@H]2CCc3ccc4ccccc4c3[C@@H]2c2c3ccccc3ccc21 ZINC000071785197 563929659 /nfs/dbraw/zinc/92/96/59/563929659.db2.gz QGYAOHODJSDTPT-HIIGZGGBSA-N 0 0 348.489 7.195 50 0 EKAARN Clc1ccc2c(c1)-c1ncc(-c3noc4ccccc43)cc1CO2 ZINC000071785270 564076296 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50 0 EKAARN Cc1nnc(S[C@H]2CCc3ccc(F)cc32)n1C1CCCCC1 ZINC000072312849 563929411 /nfs/dbraw/zinc/92/94/11/563929411.db2.gz BLHJSQYHFPZJAE-KRWDZBQOSA-N 0 0 331.460 5.010 50 0 EKAARN COc1ccc(-c2cc(-c3ccc(C)cc3)c3ccccc3n2)cc1 ZINC000072314637 563930780 /nfs/dbraw/zinc/93/07/80/563930780.db2.gz HZLINIJVMOXFNE-UHFFFAOYSA-N 0 0 325.411 5.886 50 0 EKAARN c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccsc4)=NN32)c1 ZINC000072314737 563930830 /nfs/dbraw/zinc/93/08/30/563930830.db2.gz WRYCJOOXAGIEIG-YJBOKZPZSA-N 0 0 338.457 5.052 50 0 EKAARN c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccsc4)=NN32)c1 ZINC000072314738 563930836 /nfs/dbraw/zinc/93/08/36/563930836.db2.gz WRYCJOOXAGIEIG-QAPCUYQASA-N 0 0 338.457 5.052 50 0 EKAARN Cc1cc(C)c(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c(C)c1 ZINC000072332195 563933334 /nfs/dbraw/zinc/93/33/34/563933334.db2.gz PFCVLKZZWPLOGQ-HNNXBMFYSA-N 0 0 342.483 5.289 50 0 EKAARN Cc1cc(C)c(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c(C)c1 ZINC000072332196 563933327 /nfs/dbraw/zinc/93/33/27/563933327.db2.gz 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/nfs/dbraw/zinc/21/17/66/216211766.db2.gz FKKLJJVHIGDTPO-OAQYLSRUSA-N 0 0 349.405 5.261 50 0 EKAARN COc1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccccc2)cc1 ZINC000072422430 216211406 /nfs/dbraw/zinc/21/14/06/216211406.db2.gz FKKLJJVHIGDTPO-NRFANRHFSA-N 0 0 349.405 5.261 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3cccc(Cl)c3Cl)c2cc1C ZINC000072427548 216218644 /nfs/dbraw/zinc/21/86/44/216218644.db2.gz DNQQEJVDCJWXGM-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000072427549 203221834 /nfs/dbraw/zinc/22/18/34/203221834.db2.gz JRJBXLFHPPRBJG-UHFFFAOYSA-N 0 0 348.229 5.538 50 0 EKAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc(=O)c2c1 ZINC000072427554 216219431 /nfs/dbraw/zinc/21/94/31/216219431.db2.gz DRWRDZGMDVGUHO-UHFFFAOYSA-N 0 0 349.430 5.094 50 0 EKAARN Cc1cc2oc(C(=O)Nc3ccc(C(C)C)c(C)c3)cc(=O)c2cc1C ZINC000072427557 216219008 /nfs/dbraw/zinc/21/90/08/216219008.db2.gz CQPSQURUTIUPEU-UHFFFAOYSA-N 0 0 349.430 5.094 50 0 EKAARN COc1cccc(-c2nc(-c3ccc(OC)c(Cl)c3)cs2)c1 ZINC000072427573 216219521 /nfs/dbraw/zinc/21/95/21/216219521.db2.gz TVWJTBJWQGFFPW-UHFFFAOYSA-N 0 0 331.824 5.148 50 0 EKAARN Cc1ncc2c(c1-c1nnc(-c3ccc(Cl)cc3)o1)CCCCC2 ZINC000072447041 216236716 /nfs/dbraw/zinc/23/67/16/216236716.db2.gz SQOIYPAFBRJKEK-UHFFFAOYSA-N 0 0 339.826 5.029 50 0 EKAARN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2)o1 ZINC000072472804 203230755 /nfs/dbraw/zinc/23/07/55/203230755.db2.gz OYTAAWMTIUICJA-HXUWFJFHSA-N 0 0 346.430 5.017 50 0 EKAARN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2)o1 ZINC000072472805 216250009 /nfs/dbraw/zinc/25/00/09/216250009.db2.gz OYTAAWMTIUICJA-FQEVSTJZSA-N 0 0 346.430 5.017 50 0 EKAARN FC(F)(F)c1ccc(Br)cc1OCc1ccccc1 ZINC000074937867 563967073 /nfs/dbraw/zinc/96/70/73/563967073.db2.gz CXZBDQXKMPHRCW-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN FC(F)(F)c1ccccc1-c1ccc(OCc2ccccc2)cc1 ZINC000074938268 203297522 /nfs/dbraw/zinc/29/75/22/203297522.db2.gz CCAJMBTXTTUNLC-UHFFFAOYSA-N 0 0 328.333 5.951 50 0 EKAARN CC(C)(C)c1ncsc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000075094144 564079936 /nfs/dbraw/zinc/07/99/36/564079936.db2.gz PVHDXZZHIMHQPY-CQSZACIVSA-N 0 0 335.517 5.017 50 0 EKAARN CC(C)(C)c1ncsc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000075094145 564079923 /nfs/dbraw/zinc/07/99/23/564079923.db2.gz PVHDXZZHIMHQPY-AWEZNQCLSA-N 0 0 335.517 5.017 50 0 EKAARN CCCC(=O)Nc1cccc(NCc2coc(-c3ccccc3)n2)c1C ZINC000075103436 564080003 /nfs/dbraw/zinc/08/00/03/564080003.db2.gz REQRUMBBDRRLLF-UHFFFAOYSA-N 0 0 349.434 5.001 50 0 EKAARN Oc1cccc(Nc2nc3cc(Cl)ccc3c(-c3ccccc3)n2)c1 ZINC000075106541 564080136 /nfs/dbraw/zinc/08/01/36/564080136.db2.gz INBFLGBAEDHGCB-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN Oc1ccccc1Nc1nc2cc(Cl)ccc2c(-c2ccccc2)n1 ZINC000075106542 564080113 /nfs/dbraw/zinc/08/01/13/564080113.db2.gz SHRCNULIJJWTKB-UHFFFAOYSA-N 0 0 347.805 5.399 50 0 EKAARN Cc1ccc2c(c1)nc(Nc1ccccc1C)nc2-c1ccccc1 ZINC000075106547 564000258 /nfs/dbraw/zinc/00/02/58/564000258.db2.gz SUSZOMYQUQYTHQ-UHFFFAOYSA-N 0 0 325.415 5.657 50 0 EKAARN Oc1ccccc1-c1cc(-c2ccccc2)c2ccc(Cl)cc2n1 ZINC000075109539 564080271 /nfs/dbraw/zinc/08/02/71/564080271.db2.gz BYFVZRZVNIRYLO-UHFFFAOYSA-N 0 0 331.802 5.928 50 0 EKAARN Oc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000075109549 564080257 /nfs/dbraw/zinc/08/02/57/564080257.db2.gz GZQQPSHZLTZXSF-UHFFFAOYSA-N 0 0 331.802 5.928 50 0 EKAARN COc1ccc2c(c1)oc(C(=O)N1CCCC[C@H]1C)c2-c1ccccc1 ZINC000075122987 216564175 /nfs/dbraw/zinc/56/41/75/216564175.db2.gz HKAPIHLBTISPPV-OAHLLOKOSA-N 0 0 349.430 5.123 50 0 EKAARN COc1ccc2c(c1)oc(C(=O)N1CCCC[C@@H]1C)c2-c1ccccc1 ZINC000075122992 203303918 /nfs/dbraw/zinc/30/39/18/203303918.db2.gz HKAPIHLBTISPPV-HNNXBMFYSA-N 0 0 349.430 5.123 50 0 EKAARN Cc1oc(-c2ccc(Cl)cc2)cc1-c1nnc(-c2cccnc2)o1 ZINC000075149074 202376060 /nfs/dbraw/zinc/37/60/60/202376060.db2.gz CXONAOYYODBUAV-UHFFFAOYSA-N 0 0 337.766 5.020 50 0 EKAARN CC(C)(C)c1ccc(NC(=O)N(CCc2cccs2)C2CC2)cc1 ZINC000075154834 216585695 /nfs/dbraw/zinc/58/56/95/216585695.db2.gz NTJNIVNTTFWQHV-UHFFFAOYSA-N 0 0 342.508 5.285 50 0 EKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2cccs2)CC1 ZINC000075157051 564080900 /nfs/dbraw/zinc/08/09/00/564080900.db2.gz SFJQLQAIWLBFKQ-UHFFFAOYSA-N 0 0 347.483 5.435 50 0 EKAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ccsc2)CC1 ZINC000075157143 564080915 /nfs/dbraw/zinc/08/09/15/564080915.db2.gz FUHXFEMMKDNPOJ-UHFFFAOYSA-N 0 0 347.483 5.435 50 0 EKAARN CCCCn1c(C)cc2cc(OCc3nc4ccccc4[nH]3)ccc21 ZINC000075245308 563967168 /nfs/dbraw/zinc/96/71/68/563967168.db2.gz LRVQDIPUHDGUMR-UHFFFAOYSA-N 0 0 333.435 5.205 50 0 EKAARN CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc3c(C)coc3cc21 ZINC000075245339 203310930 /nfs/dbraw/zinc/31/09/30/203310930.db2.gz FEXHRKGYIVCOBP-UHFFFAOYSA-N 0 0 337.806 5.850 50 0 EKAARN Clc1cccc(Nc2ccnc(Nc3ccccc3Cl)n2)c1 ZINC000075249971 564081171 /nfs/dbraw/zinc/08/11/71/564081171.db2.gz HDOPXGAPHXJPMS-UHFFFAOYSA-N 0 0 331.206 5.271 50 0 EKAARN O=C(Sc1ccccc1)c1ccccc1CSc1ccccc1 ZINC000075250072 564081167 /nfs/dbraw/zinc/08/11/67/564081167.db2.gz JHXGJMNYMBUVMH-UHFFFAOYSA-N 0 0 336.481 5.911 50 0 EKAARN C(=C(c1ccccc1)c1ccccc1)C1Sc2ccccc2S1 ZINC000075251558 564081170 /nfs/dbraw/zinc/08/11/70/564081170.db2.gz QODGEBSUWHIFJH-UHFFFAOYSA-N 0 0 332.493 6.342 50 0 EKAARN CCCCC[C@@H]1CCc2nc(-c3ccc(CCC)s3)ccc2C1 ZINC000075252126 564081211 /nfs/dbraw/zinc/08/12/11/564081211.db2.gz HLWDNUYHIJKYMF-MRXNPFEDSA-N 0 0 327.537 6.448 50 0 EKAARN CCCCC[C@H]1CCc2nc(-c3ccc(CCC)s3)ccc2C1 ZINC000075252128 564081200 /nfs/dbraw/zinc/08/12/00/564081200.db2.gz HLWDNUYHIJKYMF-INIZCTEOSA-N 0 0 327.537 6.448 50 0 EKAARN CCNc1cc(-c2nc3ccccc3s2)ccc1Nc1ccccc1 ZINC000075253701 564081192 /nfs/dbraw/zinc/08/11/92/564081192.db2.gz KJJMUHOJOPWBAZ-UHFFFAOYSA-N 0 0 345.471 6.139 50 0 EKAARN Cc1ccc2nc(-c3ccc(OC(=O)c4ccco4)cc3)sc2c1 ZINC000075259687 564081197 /nfs/dbraw/zinc/08/11/97/564081197.db2.gz SYARKTIFEBLBLB-UHFFFAOYSA-N 0 0 335.384 5.084 50 0 EKAARN c1nc2ccccc2n1CCCCCCCCn1cnc2ccccc21 ZINC000075259951 564081248 /nfs/dbraw/zinc/08/12/48/564081248.db2.gz JDLZDZLNZQSZPR-UHFFFAOYSA-N 0 0 346.478 5.427 50 0 EKAARN O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccc1 ZINC000075260208 564081266 /nfs/dbraw/zinc/08/12/66/564081266.db2.gz RLKHFDZWGNUKJI-UHFFFAOYSA-N 0 0 349.389 5.307 50 0 EKAARN Clc1ccc(-c2nc3cc(OCc4ccccc4)ccc3o2)cc1 ZINC000075260619 564081309 /nfs/dbraw/zinc/08/13/09/564081309.db2.gz LZZVJOGZIBZOEU-UHFFFAOYSA-N 0 0 335.790 5.727 50 0 EKAARN Cc1cc(Sc2nc3ccccc3[nH]2)c2ccc(Cl)c(C)c2n1 ZINC000075260767 564081329 /nfs/dbraw/zinc/08/13/29/564081329.db2.gz UMGKMDWFQKBCDZ-UHFFFAOYSA-N 0 0 339.851 5.533 50 0 EKAARN Cc1cccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)n1 ZINC000075260822 564081313 /nfs/dbraw/zinc/08/13/13/564081313.db2.gz IEDIKIFUZXOULJ-UHFFFAOYSA-N 0 0 337.426 5.533 50 0 EKAARN O=C(c1cccc2ccccc21)n1c(=S)oc2ccc(Cl)cc21 ZINC000075271305 564081357 /nfs/dbraw/zinc/08/13/57/564081357.db2.gz XJNVAPURTRAAFD-UHFFFAOYSA-N 0 0 339.803 5.459 50 0 EKAARN Cc1ccc(-c2nc(-c3ccsc3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000075272005 564081334 /nfs/dbraw/zinc/08/13/34/564081334.db2.gz MRWFCYUTVDFFBH-UHFFFAOYSA-N 0 0 330.456 6.089 50 0 EKAARN CCCSc1nc2c(s1)c(NC(=O)OCC)c(F)cc2Cl ZINC000075273218 564081374 /nfs/dbraw/zinc/08/13/74/564081374.db2.gz JCXWWLNWHCUPDV-UHFFFAOYSA-N 0 0 348.852 5.159 50 0 EKAARN Cc1ccc(-c2nc(-c3ccccc3)n(C)c2-c2ccccc2)c(C)c1 ZINC000075274094 564081320 /nfs/dbraw/zinc/08/13/20/564081320.db2.gz AMQFCUFCUPODRF-UHFFFAOYSA-N 0 0 338.454 6.038 50 0 EKAARN Cc1csc(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 ZINC000075278821 564081433 /nfs/dbraw/zinc/08/14/33/564081433.db2.gz CBXDFFIYRSEVII-UHFFFAOYSA-N 0 0 346.496 5.004 50 0 EKAARN Cc1ccc2[nH]cc([C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)c2c1 ZINC000075278996 564081399 /nfs/dbraw/zinc/08/13/99/564081399.db2.gz VSOQILTUZNIKRW-KSSFIOAISA-N 0 0 328.456 5.027 50 0 EKAARN Cc1ccc2[nH]cc([C@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)c2c1 ZINC000075278997 564081406 /nfs/dbraw/zinc/08/14/06/564081406.db2.gz VSOQILTUZNIKRW-KDOFPFPSSA-N 0 0 328.456 5.027 50 0 EKAARN Cc1ccc2[nH]cc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c2c1 ZINC000075278999 564081434 /nfs/dbraw/zinc/08/14/34/564081434.db2.gz VSOQILTUZNIKRW-KBXCAEBGSA-N 0 0 328.456 5.027 50 0 EKAARN Cc1ccc2[nH]cc([C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c2c1 ZINC000075279001 564081423 /nfs/dbraw/zinc/08/14/23/564081423.db2.gz VSOQILTUZNIKRW-RDTXWAMCSA-N 0 0 328.456 5.027 50 0 EKAARN Cc1ccc2oc(-c3ccc(NCc4ccccc4)cc3O)nc2c1 ZINC000075279308 564081411 /nfs/dbraw/zinc/08/14/11/564081411.db2.gz MPUZBQBLDVWCFS-UHFFFAOYSA-N 0 0 330.387 5.121 50 0 EKAARN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(O)c3)cc2)cc1 ZINC000075279401 564081462 /nfs/dbraw/zinc/08/14/62/564081462.db2.gz YAOMEBDYUSTZMP-UHFFFAOYSA-N 0 0 349.455 5.245 50 0 EKAARN CC(C)(C)c1cc(NC(=O)c2ccccc2F)cc(C(C)(C)C)c1O ZINC000075279482 564081461 /nfs/dbraw/zinc/08/14/61/564081461.db2.gz YTOBQRIWPPSKIX-UHFFFAOYSA-N 0 0 343.442 5.379 50 0 EKAARN COc1ccc2c(c1)c(Cl)nc1c2CCCc2sc(C)cc2-1 ZINC000075279682 564081458 /nfs/dbraw/zinc/08/14/58/564081458.db2.gz XBRXWCQDMXEAIA-UHFFFAOYSA-N 0 0 329.852 5.422 50 0 EKAARN Cc1cccc(C(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1 ZINC000075279799 564081439 /nfs/dbraw/zinc/08/14/39/564081439.db2.gz CLLXGHCSWKNBQW-UHFFFAOYSA-N 0 0 339.479 5.548 50 0 EKAARN O=C(Oc1csc(=S)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000075280092 564081501 /nfs/dbraw/zinc/08/15/01/564081501.db2.gz UNAPGZUNCKHQPA-UHFFFAOYSA-N 0 0 347.848 5.141 50 0 EKAARN c1ccc2c(c1)ccc1c2O[C@@H]2N[C@H]1Oc1c3ccccc3ccc12 ZINC000075280131 564081498 /nfs/dbraw/zinc/08/14/98/564081498.db2.gz NGDQJIWFLXLAPA-VXKWHMMOSA-N 0 0 325.367 5.065 50 0 EKAARN CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)C(C)(C)C)c2-c1ccccc1 ZINC000075280139 564081500 /nfs/dbraw/zinc/08/15/00/564081500.db2.gz KZMZTPZZHIQFDV-NVXWUHKLSA-N 0 0 338.495 5.873 50 0 EKAARN CC(C)[C@@H]1CC[C@H](C)c2c1nn(C(=O)C(C)(C)C)c2-c1ccccc1 ZINC000075280140 564081496 /nfs/dbraw/zinc/08/14/96/564081496.db2.gz KZMZTPZZHIQFDV-RDJZCZTQSA-N 0 0 338.495 5.873 50 0 EKAARN Cn1c(-c2ccccc2)nc2c1-c1[nH]c3ccccc3c1C(C)(C)C2 ZINC000075280149 564086230 /nfs/dbraw/zinc/08/62/30/564086230.db2.gz GAUQDBOPCBNVDZ-UHFFFAOYSA-N 0 0 327.431 5.069 50 0 EKAARN CCOC(=O)c1[nH]c2c(cc(Cl)cc2Cl)c1Cc1ccccc1 ZINC000075280150 564081476 /nfs/dbraw/zinc/08/14/76/564081476.db2.gz FHVBAZHKGFVLJL-UHFFFAOYSA-N 0 0 348.229 5.242 50 0 EKAARN Cc1ccc2c(c1)/C(=C/c1cccs1)c1nc3ccccc3nc1-2 ZINC000075280181 564081474 /nfs/dbraw/zinc/08/14/74/564081474.db2.gz ZQIUIVASXGXDDM-ATVHPVEESA-N 0 0 326.424 5.569 50 0 EKAARN Clc1ccc(C[C@H](CSCc2ccccc2)n2ccnc2)cc1 ZINC000075280187 564081468 /nfs/dbraw/zinc/08/14/68/564081468.db2.gz WFSHBMADAJQAEP-LJQANCHMSA-N 0 0 342.895 5.254 50 0 EKAARN Clc1ccc(C[C@@H](CSCc2ccccc2)n2ccnc2)cc1 ZINC000075280188 564081494 /nfs/dbraw/zinc/08/14/94/564081494.db2.gz WFSHBMADAJQAEP-IBGZPJMESA-N 0 0 342.895 5.254 50 0 EKAARN Cc1ccc(/C(=C(/c2ccccc2)n2ccnc2)c2ccccc2)cc1 ZINC000075284212 564081589 /nfs/dbraw/zinc/08/15/89/564081589.db2.gz XWTYXPSNPWCBRA-VHXPQNKSSA-N 0 0 336.438 5.656 50 0 EKAARN CN(C)C12C=CC(C=C1)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000075284221 564081581 /nfs/dbraw/zinc/08/15/81/564081581.db2.gz ONFHKPXLULBJDX-UHFFFAOYSA-N 0 0 335.061 5.280 50 0 EKAARN CCOP(=O)(OCC)C1(Nc2cccc(CC)c2)CCCCC1 ZINC000075284336 564081522 /nfs/dbraw/zinc/08/15/22/564081522.db2.gz XKLURNZFTCPTGL-UHFFFAOYSA-N 0 0 339.416 5.587 50 0 EKAARN Cc1ccc(SCC(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000075284352 564086249 /nfs/dbraw/zinc/08/62/49/564086249.db2.gz UQPUVGYMYZBPLY-UHFFFAOYSA-N 0 0 334.440 5.360 50 0 EKAARN CC(c1c[nH]c2ccccc21)(c1c[nH]c2ccccc21)c1ccncc1 ZINC000075286688 564081509 /nfs/dbraw/zinc/08/15/09/564081509.db2.gz UMKSVARFXPZYII-UHFFFAOYSA-N 0 0 337.426 5.399 50 0 EKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccccc1)Nc1ccc(F)cc1 ZINC000075333401 564081913 /nfs/dbraw/zinc/08/19/13/564081913.db2.gz ZOPZSCMPKHTDLC-UHFFFAOYSA-N 0 0 345.377 5.618 50 0 EKAARN Cc1ccc2ccc3cc(C(=O)Nc4ccc(C(C)C)cc4)[nH]c3c2n1 ZINC000075346744 203312712 /nfs/dbraw/zinc/31/27/12/203312712.db2.gz DJYCASFZXRXEFJ-UHFFFAOYSA-N 0 0 343.430 5.400 50 0 EKAARN Cc1ccc2ccc3cc(C(=O)Nc4ccc(C)c(Cl)c4)[nH]c3c2n1 ZINC000075346775 564081953 /nfs/dbraw/zinc/08/19/53/564081953.db2.gz VJRNKNJQGVTDFI-UHFFFAOYSA-N 0 0 349.821 5.239 50 0 EKAARN CC(C)CCNC(=O)Nc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000075352884 564082077 /nfs/dbraw/zinc/08/20/77/564082077.db2.gz BOOHUZSDCKRPJA-UHFFFAOYSA-N 0 0 339.414 5.142 50 0 EKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)NCCC(C)C)cc1 ZINC000075352898 564082051 /nfs/dbraw/zinc/08/20/51/564082051.db2.gz AZJCDSHRIPSVIW-UHFFFAOYSA-N 0 0 335.451 5.311 50 0 EKAARN Cc1ccc(-c2[nH]c3ccccc3c2NC(=O)NC2CCCCC2)cc1 ZINC000075352899 564082078 /nfs/dbraw/zinc/08/20/78/564082078.db2.gz YVZHNDUHPPRQCL-UHFFFAOYSA-N 0 0 347.462 5.598 50 0 EKAARN O=C(NCc1ccccc1)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000075352908 564082076 /nfs/dbraw/zinc/08/20/76/564082076.db2.gz WCGAJTLDZMLWOT-UHFFFAOYSA-N 0 0 341.414 5.157 50 0 EKAARN O=C(Nc1c2ccccc2[nH]c1-c1ccccc1)NC1CCCCC1 ZINC000075352915 564082050 /nfs/dbraw/zinc/08/20/50/564082050.db2.gz ANIDBXMGZKEXFA-UHFFFAOYSA-N 0 0 333.435 5.289 50 0 EKAARN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)NCCC(C)C)cc1 ZINC000075352919 564082064 /nfs/dbraw/zinc/08/20/64/564082064.db2.gz GHOBXQWJIPFTAB-UHFFFAOYSA-N 0 0 349.478 5.565 50 0 EKAARN CCCCCC(=O)Nc1cc(-c2nc3cc(C)ccc3[nH]2)ccc1C ZINC000075421475 564084585 /nfs/dbraw/zinc/08/45/85/564084585.db2.gz WTXKWFIJNUPNRV-UHFFFAOYSA-N 0 0 335.451 5.366 50 0 EKAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)c4ccccc4)c3)nc2c1 ZINC000075421483 564084581 /nfs/dbraw/zinc/08/45/81/564084581.db2.gz JVOPBXRUVQNKIA-UHFFFAOYSA-N 0 0 341.414 5.099 50 0 EKAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)c4cccs4)c3)nc2c1 ZINC000075421492 203315417 /nfs/dbraw/zinc/31/54/17/203315417.db2.gz MPGKUIOMCSMQGW-UHFFFAOYSA-N 0 0 347.443 5.161 50 0 EKAARN Cc1ccc2[nH]c(-c3ccc(C)c(NC(=O)C4CCCCC4)c3)nc2c1 ZINC000075421494 564084576 /nfs/dbraw/zinc/08/45/76/564084576.db2.gz UTHBPGKVBGGWJG-UHFFFAOYSA-N 0 0 347.462 5.366 50 0 EKAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(C)n2)cc1 ZINC000075437180 564084738 /nfs/dbraw/zinc/08/47/38/564084738.db2.gz 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/nfs/dbraw/zinc/96/73/50/563967350.db2.gz GIWRLLOYXBTCBR-UHFFFAOYSA-N 0 0 331.415 5.395 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccsc2)nc1 ZINC000075501956 216625668 /nfs/dbraw/zinc/62/56/68/216625668.db2.gz KMZQFQVCHXKXRS-UHFFFAOYSA-N 0 0 328.824 5.024 50 0 EKAARN COc1cccc(Nc2nc3ccccc3c(-c3ccccc3)n2)c1 ZINC000075568163 203318108 /nfs/dbraw/zinc/31/81/08/203318108.db2.gz DPNZRWBSZHXOIR-UHFFFAOYSA-N 0 0 327.387 5.049 50 0 EKAARN CCC(CC)(NCc1csc(C(C)C)n1)c1ccc(Cl)cc1 ZINC000075582841 564089662 /nfs/dbraw/zinc/08/96/62/564089662.db2.gz BSZYFRGLTDZEIX-UHFFFAOYSA-N 0 0 336.932 5.725 50 0 EKAARN CC(C)(C)c1ccc2nc(C(F)(F)F)cc(Br)c2c1 ZINC000075893662 563967519 /nfs/dbraw/zinc/96/75/19/563967519.db2.gz WSKNDPSDFFSAIM-UHFFFAOYSA-N 0 0 332.163 5.314 50 0 EKAARN Cc1cccc(Cl)c1NC(=O)c1ccc(SC(F)F)cc1 ZINC000076092254 564115662 /nfs/dbraw/zinc/11/56/62/564115662.db2.gz LURLYBQLCJQUKI-UHFFFAOYSA-N 0 0 327.783 5.215 50 0 EKAARN CC(C)c1nc([C@@H](C)NCc2csc(-c3cccs3)n2)cs1 ZINC000076900536 564000815 /nfs/dbraw/zinc/00/08/15/564000815.db2.gz QNOJVGDKCSSIOB-LLVKDONJSA-N 0 0 349.550 5.302 50 0 EKAARN CC(C)c1nc([C@H](C)NCc2csc(-c3cccs3)n2)cs1 ZINC000076900542 564176529 /nfs/dbraw/zinc/17/65/29/564176529.db2.gz QNOJVGDKCSSIOB-NSHDSACASA-N 0 0 349.550 5.302 50 0 EKAARN Cc1scc(C(=O)N2CCC[C@@H]2c2ccccn2)c1-c1ccccc1 ZINC000077320747 203379654 /nfs/dbraw/zinc/37/96/54/203379654.db2.gz PSEFSEWLHISUAB-LJQANCHMSA-N 0 0 348.471 5.096 50 0 EKAARN Cc1scc(C(=O)N2CCC[C@H]2c2ccccn2)c1-c1ccccc1 ZINC000077320748 563968928 /nfs/dbraw/zinc/96/89/28/563968928.db2.gz PSEFSEWLHISUAB-IBGZPJMESA-N 0 0 348.471 5.096 50 0 EKAARN CC(C)n1ccnc1Cn1ccnc1-c1ccccc1-c1ccccc1 ZINC000077437669 563969686 /nfs/dbraw/zinc/96/96/86/563969686.db2.gz NMYQRFXVEDSXIV-UHFFFAOYSA-N 0 0 342.446 5.043 50 0 EKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000077438160 203388560 /nfs/dbraw/zinc/38/85/60/203388560.db2.gz VPNYTJMWYXPVDN-GOSISDBHSA-N 0 0 337.394 5.084 50 0 EKAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000077438162 203388515 /nfs/dbraw/zinc/38/85/15/203388515.db2.gz VPNYTJMWYXPVDN-SFHVURJKSA-N 0 0 337.394 5.084 50 0 EKAARN Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077523628 216928152 /nfs/dbraw/zinc/92/81/52/216928152.db2.gz LCPRQCOXTWBXHO-MRXNPFEDSA-N 0 0 346.471 5.081 50 0 EKAARN Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077523633 203394040 /nfs/dbraw/zinc/39/40/40/203394040.db2.gz LCPRQCOXTWBXHO-INIZCTEOSA-N 0 0 346.471 5.081 50 0 EKAARN COc1ccccc1[C@H]1CCCN1C(=O)c1oc2ccc(C)cc2c1C ZINC000077565495 563970391 /nfs/dbraw/zinc/97/03/91/563970391.db2.gz SJBZFTWVZOZTEZ-GOSISDBHSA-N 0 0 349.430 5.036 50 0 EKAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1oc2ccc(C)cc2c1C ZINC000077565499 563970382 /nfs/dbraw/zinc/97/03/82/563970382.db2.gz SJBZFTWVZOZTEZ-SFHVURJKSA-N 0 0 349.430 5.036 50 0 EKAARN Cc1nnc([C@@H](C)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676158 564176786 /nfs/dbraw/zinc/17/67/86/564176786.db2.gz PIBYTIZMZOCTHG-FOIQADDNSA-N 0 0 341.499 5.474 50 0 EKAARN Cc1nnc([C@H](C)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676160 564176822 /nfs/dbraw/zinc/17/68/22/564176822.db2.gz PIBYTIZMZOCTHG-MGPUTAFESA-N 0 0 341.499 5.474 50 0 EKAARN Cc1nnc([C@@H](C)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676161 564176816 /nfs/dbraw/zinc/17/68/16/564176816.db2.gz PIBYTIZMZOCTHG-QRWLVFNGSA-N 0 0 341.499 5.474 50 0 EKAARN Cc1nnc([C@H](C)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676163 564176819 /nfs/dbraw/zinc/17/68/19/564176819.db2.gz PIBYTIZMZOCTHG-YWZLYKJASA-N 0 0 341.499 5.474 50 0 EKAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)C1CCCCC1 ZINC000078210787 564134456 /nfs/dbraw/zinc/13/44/56/564134456.db2.gz XDFKWGIBQMHSOH-UHFFFAOYSA-N 0 0 327.855 5.315 50 0 in-vitro EKAARN CCCc1cc(C(=O)N2CCC(c3ccccc3)CC2)sc1C ZINC000078254001 217034462 /nfs/dbraw/zinc/03/44/62/217034462.db2.gz MLHAZRWOFNZUEN-UHFFFAOYSA-N 0 0 327.493 5.029 50 0 EKAARN COc1ccc([C@H](C)Nc2nc(-c3ccccc3)cs2)cc1F ZINC000078254026 217034441 /nfs/dbraw/zinc/03/44/41/217034441.db2.gz OBUJWQPJPAAWFS-LBPRGKRZSA-N 0 0 328.412 5.131 50 0 EKAARN COc1ccc([C@@H](C)Nc2nc(-c3ccccc3)cs2)cc1F ZINC000078254029 217034927 /nfs/dbraw/zinc/03/49/27/217034927.db2.gz OBUJWQPJPAAWFS-GFCCVEGCSA-N 0 0 328.412 5.131 50 0 EKAARN CC(C)(C)[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000078355132 217044277 /nfs/dbraw/zinc/04/42/77/217044277.db2.gz XJXWSFBMLPPCBB-CQSZACIVSA-N 0 0 325.836 5.058 50 0 EKAARN CC(C)(C)[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000078355133 217044063 /nfs/dbraw/zinc/04/40/63/217044063.db2.gz XJXWSFBMLPPCBB-AWEZNQCLSA-N 0 0 325.836 5.058 50 0 EKAARN Clc1cccc(Nc2nnc(Nc3ccccc3)s2)c1Cl ZINC000078502869 217065079 /nfs/dbraw/zinc/06/50/79/217065079.db2.gz IWXHJAOODQGWTO-UHFFFAOYSA-N 0 0 337.235 5.332 50 0 EKAARN CCN(c1ccccc1)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000078582388 564062076 /nfs/dbraw/zinc/06/20/76/564062076.db2.gz GQNOGQWLPGURIL-UHFFFAOYSA-N 0 0 344.458 5.714 50 0 EKAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCc1cscn1 ZINC000078604292 217085817 /nfs/dbraw/zinc/08/58/17/217085817.db2.gz FSFPAAVZTBNOOR-SNVBAGLBSA-N 0 0 349.912 5.079 50 0 EKAARN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NCc1cscn1 ZINC000078604294 217085295 /nfs/dbraw/zinc/08/52/95/217085295.db2.gz FSFPAAVZTBNOOR-JTQLQIEISA-N 0 0 349.912 5.079 50 0 EKAARN c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 ZINC000078707950 217105877 /nfs/dbraw/zinc/10/58/77/217105877.db2.gz JEVWURDCSDNEIZ-UHFFFAOYSA-N 0 0 334.400 5.289 50 0 EKAARN CN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CCCCCC1 ZINC000078718342 564136931 /nfs/dbraw/zinc/13/69/31/564136931.db2.gz USWFYASLCBOWFR-UHFFFAOYSA-N 0 0 348.899 5.258 50 0 EKAARN CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000078718353 564136925 /nfs/dbraw/zinc/13/69/25/564136925.db2.gz MHSDZZQAUBEOKA-UHFFFAOYSA-N 0 0 348.899 5.116 50 0 EKAARN Cc1nc(C)c(C[S@@](=O)[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000078731003 564137036 /nfs/dbraw/zinc/13/70/36/564137036.db2.gz GNIRQIWAWVAASC-LXGOIASLSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C)c(C[S@](=O)[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000078731022 564137037 /nfs/dbraw/zinc/13/70/37/564137037.db2.gz GNIRQIWAWVAASC-GWNMQOMSSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C)c(C[S@@](=O)[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000078731026 564137018 /nfs/dbraw/zinc/13/70/18/564137018.db2.gz GNIRQIWAWVAASC-YBYGRFCBSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C)c(C[S@](=O)[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000078731030 564137046 /nfs/dbraw/zinc/13/70/46/564137046.db2.gz GNIRQIWAWVAASC-GSDQLPOLSA-N 0 0 348.320 5.077 50 0 EKAARN CC(C)(C)c1cc(NCc2cccc3cccnc32)n(C(C)(C)C)n1 ZINC000078737276 217112547 /nfs/dbraw/zinc/11/25/47/217112547.db2.gz OJEGCIRHKBBVDJ-UHFFFAOYSA-N 0 0 336.483 5.096 50 0 EKAARN Cc1nc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c2n1CCCC2 ZINC000078985175 564137517 /nfs/dbraw/zinc/13/75/17/564137517.db2.gz FRIVAPZYNUBSSX-UHFFFAOYSA-N 0 0 339.483 5.027 50 0 EKAARN Brc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1 ZINC000079062418 203438697 /nfs/dbraw/zinc/43/86/97/203438697.db2.gz LALQILLMTIDLFI-UHFFFAOYSA-N 0 0 348.243 6.264 50 0 EKAARN COc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2ccccc2n1 ZINC000079112266 564137975 /nfs/dbraw/zinc/13/79/75/564137975.db2.gz PLCAKUFSTNQENC-UHFFFAOYSA-N 0 0 345.829 6.231 50 0 EKAARN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)oc21 ZINC000080339062 217299311 /nfs/dbraw/zinc/29/93/11/217299311.db2.gz CPYUAGOSVLBKPB-UHFFFAOYSA-N 0 0 336.174 5.001 50 0 EKAARN COc1cccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)oc21 ZINC000080340156 217299061 /nfs/dbraw/zinc/29/90/61/217299061.db2.gz RHGJTHNXESFMNR-UHFFFAOYSA-N 0 0 336.174 5.001 50 0 EKAARN Cc1ccc(-c2nc3ccc(NC(=O)c4ccccc4C)cc3o2)cc1 ZINC000080340351 563971216 /nfs/dbraw/zinc/97/12/16/563971216.db2.gz ILUFUINYZWIACG-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000080343662 564139323 /nfs/dbraw/zinc/13/93/23/564139323.db2.gz IIAUNYXCDRNKIX-UHFFFAOYSA-N 0 0 340.810 5.173 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344081 217299184 /nfs/dbraw/zinc/29/91/84/217299184.db2.gz WFECUUYAFHHZOE-HUUCEWRRSA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344085 217298625 /nfs/dbraw/zinc/29/86/25/217298625.db2.gz WFECUUYAFHHZOE-CABCVRRESA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344088 203458003 /nfs/dbraw/zinc/45/80/03/203458003.db2.gz WFECUUYAFHHZOE-LSDHHAIUSA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344093 203458264 /nfs/dbraw/zinc/45/82/64/203458264.db2.gz WFECUUYAFHHZOE-GJZGRUSLSA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344205 217298910 /nfs/dbraw/zinc/29/89/10/217298910.db2.gz YJHGMJOOVKXBTQ-HUUCEWRRSA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1cccc(Cl)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344209 217299113 /nfs/dbraw/zinc/29/91/13/217299113.db2.gz YJHGMJOOVKXBTQ-CABCVRRESA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344212 217299187 /nfs/dbraw/zinc/29/91/87/217299187.db2.gz YJHGMJOOVKXBTQ-LSDHHAIUSA-N 0 0 340.637 5.389 50 0 EKAARN O=C(Nc1cccc(Cl)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344215 564139316 /nfs/dbraw/zinc/13/93/16/564139316.db2.gz YJHGMJOOVKXBTQ-GJZGRUSLSA-N 0 0 340.637 5.389 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C ZINC000080344218 217299316 /nfs/dbraw/zinc/29/93/16/217299316.db2.gz BUIROUVGOUOHLP-IAGOWNOFSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1C ZINC000080344222 217299049 /nfs/dbraw/zinc/29/90/49/217299049.db2.gz BUIROUVGOUOHLP-SJORKVTESA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C ZINC000080344225 217299146 /nfs/dbraw/zinc/29/91/46/217299146.db2.gz BUIROUVGOUOHLP-DLBZAZTESA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1C ZINC000080344230 217298650 /nfs/dbraw/zinc/29/86/50/217298650.db2.gz BUIROUVGOUOHLP-IRXDYDNUSA-N 0 0 334.246 5.352 50 0 EKAARN CCSc1ccccc1NC(=O)c1oc2ccc(CC)cc2c1C ZINC000080344472 217298995 /nfs/dbraw/zinc/29/89/95/217298995.db2.gz FXIZYNVMSCVUPI-UHFFFAOYSA-N 0 0 339.460 5.668 50 0 EKAARN CCSc1ccccc1NC(=O)c1oc2cc(C)ccc2c1C ZINC000080344481 217299072 /nfs/dbraw/zinc/29/90/72/217299072.db2.gz YDCIMHYGZKUDRL-UHFFFAOYSA-N 0 0 325.433 5.414 50 0 EKAARN CCSc1ccccc1NC(=O)c1oc2cc(C)cc(C)c2c1C ZINC000080344490 217299300 /nfs/dbraw/zinc/29/93/00/217299300.db2.gz BHZPEKMHRYEIFL-UHFFFAOYSA-N 0 0 339.460 5.722 50 0 EKAARN CC[C@@H](CCSc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000080344845 217298618 /nfs/dbraw/zinc/29/86/18/217298618.db2.gz QXAOUWCURVPPJH-INIZCTEOSA-N 0 0 333.884 5.031 50 0 EKAARN CC[C@H](CCSc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000080344848 217299323 /nfs/dbraw/zinc/29/93/23/217299323.db2.gz QXAOUWCURVPPJH-MRXNPFEDSA-N 0 0 333.884 5.031 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000080344931 217298965 /nfs/dbraw/zinc/29/89/65/217298965.db2.gz JTKIRUUHGJTEJK-HZPDHXFCSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000080344935 217298689 /nfs/dbraw/zinc/29/86/89/217298689.db2.gz JTKIRUUHGJTEJK-CVEARBPZSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000080344938 203458016 /nfs/dbraw/zinc/45/80/16/203458016.db2.gz JTKIRUUHGJTEJK-JKSUJKDBSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000080344940 203458516 /nfs/dbraw/zinc/45/85/16/203458516.db2.gz JTKIRUUHGJTEJK-HOTGVXAUSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080345015 564139354 /nfs/dbraw/zinc/13/93/54/564139354.db2.gz GRDONPYYNWNOEV-HZPDHXFCSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080345017 217299016 /nfs/dbraw/zinc/29/90/16/217299016.db2.gz GRDONPYYNWNOEV-CVEARBPZSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080345022 564139338 /nfs/dbraw/zinc/13/93/38/564139338.db2.gz GRDONPYYNWNOEV-JKSUJKDBSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000080345026 217299243 /nfs/dbraw/zinc/29/92/43/217299243.db2.gz GRDONPYYNWNOEV-HOTGVXAUSA-N 0 0 334.246 5.352 50 0 EKAARN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1Cl ZINC000080345497 217299517 /nfs/dbraw/zinc/29/95/17/217299517.db2.gz UPCPJBIHDLFCKP-UHFFFAOYSA-N 0 0 347.201 5.209 50 0 EKAARN CCCCOc1ccc(C(=O)Nc2ccccc2SCC)cc1 ZINC000080345850 217298871 /nfs/dbraw/zinc/29/88/71/217298871.db2.gz JQRFZKRWQCGVHZ-UHFFFAOYSA-N 0 0 329.465 5.230 50 0 EKAARN CCCCc1ccc(-c2ccc(I)cc2)cc1 ZINC000082046886 563971969 /nfs/dbraw/zinc/97/19/69/563971969.db2.gz KTEKHPDWAMYUBP-UHFFFAOYSA-N 0 0 336.216 5.301 50 0 EKAARN Clc1nc2ccc(Br)cc2cc1Cc1ccccc1 ZINC000082048631 203493398 /nfs/dbraw/zinc/49/33/98/203493398.db2.gz UGXUDVNBDYIJHJ-UHFFFAOYSA-N 0 0 332.628 5.242 50 0 EKAARN Fc1c(Cl)ccc2c(Br)cc(-c3ccccc3)nc12 ZINC000082048820 217460442 /nfs/dbraw/zinc/46/04/42/217460442.db2.gz YMEXONZAFHUNBH-UHFFFAOYSA-N 0 0 336.591 5.457 50 0 EKAARN CCSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000082087206 217461450 /nfs/dbraw/zinc/46/14/50/217461450.db2.gz PCRVQIPZGDJGQY-UHFFFAOYSA-N 0 0 343.492 5.114 50 0 EKAARN CCC(=O)c1cccc(NC(=O)c2oc3c(cc(C)cc3C)c2C)c1 ZINC000082087354 203493383 /nfs/dbraw/zinc/49/33/83/203493383.db2.gz MJTMCIIVDBEMBQ-UHFFFAOYSA-N 0 0 335.403 5.203 50 0 EKAARN CCC(=O)c1cccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c1 ZINC000082087369 217461910 /nfs/dbraw/zinc/46/19/10/217461910.db2.gz HZJJEJLXCUIJBG-UHFFFAOYSA-N 0 0 341.794 5.240 50 0 EKAARN CCC(=O)c1cccc(NC(=O)c2oc3ccc(CC)cc3c2C)c1 ZINC000082087378 564056237 /nfs/dbraw/zinc/05/62/37/564056237.db2.gz QMLDNDCTKXLRGQ-UHFFFAOYSA-N 0 0 335.403 5.149 50 0 EKAARN Brc1ccccc1/C=C\c1ccccc1Br ZINC000083252324 564062782 /nfs/dbraw/zinc/06/27/82/564062782.db2.gz CAQJRIYIZUQIHV-KTKRTIGZSA-N 0 0 338.042 5.382 50 0 EKAARN C(=C\C1=CC=C(c2ccccc2)[C@H](c2ccccc2)C1)\c1ccccc1 ZINC000083252928 564062810 /nfs/dbraw/zinc/06/28/10/564062810.db2.gz PSEWIMFWFJUOBY-JHYYFUGWSA-N 0 0 334.462 6.897 50 0 EKAARN C(=C\C1=CC=C(c2ccccc2)[C@@H](c2ccccc2)C1)\c1ccccc1 ZINC000083252931 564062797 /nfs/dbraw/zinc/06/27/97/564062797.db2.gz PSEWIMFWFJUOBY-VNBGQBMQSA-N 0 0 334.462 6.897 50 0 EKAARN O=C(c1cccc(Oc2ccccc2)c1)c1ccnc2ccccc21 ZINC000083325676 563973397 /nfs/dbraw/zinc/97/33/97/563973397.db2.gz NFAILPRRSZRXTL-UHFFFAOYSA-N 0 0 325.367 5.258 50 0 EKAARN O=C(c1ccc(Oc2ccccc2)cc1)c1ccnc2ccccc21 ZINC000083325683 563973425 /nfs/dbraw/zinc/97/34/25/563973425.db2.gz BNYDLWPQJUAKPX-UHFFFAOYSA-N 0 0 325.367 5.258 50 0 EKAARN CCCCCCOc1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000083328506 563973453 /nfs/dbraw/zinc/97/34/53/563973453.db2.gz IBTWTUMUWBXFJT-UHFFFAOYSA-N 0 0 333.431 5.425 50 0 EKAARN CC(C)(C)OC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000083501798 563973459 /nfs/dbraw/zinc/97/34/59/563973459.db2.gz MYHAQCUMLHECGK-UHFFFAOYSA-N 0 0 341.032 5.103 50 0 EKAARN CCn1c(C(=O)N(C)Cc2csc3ccccc23)cc2ccccc21 ZINC000083840103 564063575 /nfs/dbraw/zinc/06/35/75/564063575.db2.gz UTFGAMUREPUQID-UHFFFAOYSA-N 0 0 348.471 5.148 50 0 EKAARN CN(Cc1cc(-c2cccs2)on1)Cc1cccc2ccccc21 ZINC000083864200 564064025 /nfs/dbraw/zinc/06/40/25/564064025.db2.gz GIARVPQKFVCNDX-UHFFFAOYSA-N 0 0 334.444 5.188 50 0 EKAARN CN(C(=O)c1ccnc2ccccc21)c1ccccc1-c1ccccc1 ZINC000083869817 564064105 /nfs/dbraw/zinc/06/41/05/564064105.db2.gz LVTFCZRDGBBHEX-UHFFFAOYSA-N 0 0 338.410 5.178 50 0 EKAARN COc1ccc2cc(C[NH2+]Cc3csc4ccccc34)ccc2c1 ZINC000083970346 564065441 /nfs/dbraw/zinc/06/54/41/564065441.db2.gz VOXLSHVXFATMNF-UHFFFAOYSA-N 0 0 333.456 5.353 50 0 EKAARN Cc1nc(S[C@@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C ZINC000084051802 564065928 /nfs/dbraw/zinc/06/59/28/564065928.db2.gz CCMMANSIUMZUSO-ZDUSSCGKSA-N 0 0 346.500 5.119 50 0 EKAARN Cc1nc(S[C@H](C)c2nc(C3CC3)no2)n(C2CCCCC2)c1C ZINC000084051813 564065941 /nfs/dbraw/zinc/06/59/41/564065941.db2.gz CCMMANSIUMZUSO-CYBMUJFWSA-N 0 0 346.500 5.119 50 0 EKAARN Cc1nc2ccccc2nc1CSCc1csc(C(C)(C)C)n1 ZINC000084057639 564065944 /nfs/dbraw/zinc/06/59/44/564065944.db2.gz ZTSQTXFCTYSIPB-UHFFFAOYSA-N 0 0 343.521 5.126 50 0 EKAARN Cc1c2ccccc2oc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000084068143 564066126 /nfs/dbraw/zinc/06/61/26/564066126.db2.gz KARMQBJJLIIEGO-UHFFFAOYSA-N 0 0 348.402 5.432 50 0 EKAARN Cc1cc(NC(=O)Nc2ccc(Sc3ccccc3)cc2C)no1 ZINC000084093283 564066450 /nfs/dbraw/zinc/06/64/50/564066450.db2.gz YNEQGTNPBYDKFD-UHFFFAOYSA-N 0 0 339.420 5.087 50 0 EKAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1csc(-c2ccco2)n1 ZINC000084129165 564066820 /nfs/dbraw/zinc/06/68/20/564066820.db2.gz BLANLBYBGYFYDR-HNNXBMFYSA-N 0 0 342.464 5.108 50 0 EKAARN COc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1 ZINC000084148740 564066999 /nfs/dbraw/zinc/06/69/99/564066999.db2.gz RPJUIVGBEVYKBN-UZLBHIALSA-N 0 0 338.451 5.009 50 0 EKAARN COc1cccc(NC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1 ZINC000084148741 564067024 /nfs/dbraw/zinc/06/70/24/564067024.db2.gz RPJUIVGBEVYKBN-OXQOHEQNSA-N 0 0 338.451 5.009 50 0 EKAARN COc1cccc(NC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1 ZINC000084148742 564067040 /nfs/dbraw/zinc/06/70/40/564067040.db2.gz RPJUIVGBEVYKBN-JXFKEZNVSA-N 0 0 338.451 5.009 50 0 EKAARN COc1cccc(NC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1 ZINC000084148743 564067031 /nfs/dbraw/zinc/06/70/31/564067031.db2.gz RPJUIVGBEVYKBN-OXJNMPFZSA-N 0 0 338.451 5.009 50 0 EKAARN Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)Cc2cccs2)cc1 ZINC000084171879 564067149 /nfs/dbraw/zinc/06/71/49/564067149.db2.gz DVIUGTYCMVQAOZ-AWEZNQCLSA-N 0 0 341.501 5.146 50 0 EKAARN Cc1ccc(-c2ccsc2C(=O)N[C@H](C)Cc2cccs2)cc1 ZINC000084171885 564067142 /nfs/dbraw/zinc/06/71/42/564067142.db2.gz DVIUGTYCMVQAOZ-CQSZACIVSA-N 0 0 341.501 5.146 50 0 EKAARN Cc1ccc(Oc2cc(CNc3nc4ccccc4o3)ccn2)cc1C ZINC000084180763 564067181 /nfs/dbraw/zinc/06/71/81/564067181.db2.gz KKXQAUCQAJLWNV-UHFFFAOYSA-N 0 0 345.402 5.244 50 0 EKAARN Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc3ccccc32)s1 ZINC000084205104 564067351 /nfs/dbraw/zinc/06/73/51/564067351.db2.gz WLIWBAIOODADLU-SFHVURJKSA-N 0 0 335.472 5.057 50 0 EKAARN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(OC3CCCC3)cc2)s1 ZINC000084205239 564067390 /nfs/dbraw/zinc/06/73/90/564067390.db2.gz JELHSTXSGDDJCO-OAHLLOKOSA-N 0 0 343.492 5.211 50 0 EKAARN Cc1ccc([C@H](C)N(C)C(=O)c2ccc(OC3CCCC3)cc2)s1 ZINC000084205240 564067373 /nfs/dbraw/zinc/06/73/73/564067373.db2.gz JELHSTXSGDDJCO-HNNXBMFYSA-N 0 0 343.492 5.211 50 0 EKAARN Cc1ccc(CN(Cc2ccco2)Cc2cccc(F)c2F)s1 ZINC000084205455 564067399 /nfs/dbraw/zinc/06/73/99/564067399.db2.gz SDKXGCWXMKVQAQ-UHFFFAOYSA-N 0 0 333.403 5.130 50 0 EKAARN Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)c1 ZINC000084210696 564067432 /nfs/dbraw/zinc/06/74/32/564067432.db2.gz HEKSAURXCFEZCY-QHCPKHFHSA-N 0 0 343.470 5.445 50 0 EKAARN Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc3ccccc3c2)c1 ZINC000084210697 564067413 /nfs/dbraw/zinc/06/74/13/564067413.db2.gz HEKSAURXCFEZCY-HSZRJFAPSA-N 0 0 343.470 5.445 50 0 EKAARN Cc1ccsc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C(C)C ZINC000084251364 564067557 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ZINC000084560106 564068671 /nfs/dbraw/zinc/06/86/71/564068671.db2.gz RYXXRGNJKDNIHM-UHFFFAOYSA-N 0 0 333.416 5.024 50 0 EKAARN O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-c2ccccc2)cc1 ZINC000084562537 564068727 /nfs/dbraw/zinc/06/87/27/564068727.db2.gz XSAMGSYRKCYVJN-UHFFFAOYSA-N 0 0 340.382 5.261 50 0 EKAARN FC(F)(F)c1ccnc(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000084594589 564068841 /nfs/dbraw/zinc/06/88/41/564068841.db2.gz HXIXFAYQEWMTMQ-UHFFFAOYSA-N 0 0 330.265 5.187 50 0 EKAARN S=C(NCc1cccs1)Nc1ccc2c(c1)oc1ccccc12 ZINC000084594612 564068852 /nfs/dbraw/zinc/06/88/52/564068852.db2.gz LPROTVKFRKVPIF-UHFFFAOYSA-N 0 0 338.457 5.134 50 0 EKAARN Fc1ccc(CN(Cc2cc3ccccc3nc2Cl)C2CC2)cc1 ZINC000084594812 564068890 /nfs/dbraw/zinc/06/88/90/564068890.db2.gz MOGLHWDIMHIFJZ-UHFFFAOYSA-N 0 0 340.829 5.192 50 0 EKAARN O=[S@](Cc1cccc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000084598483 564068958 /nfs/dbraw/zinc/06/89/58/564068958.db2.gz UPFGZMPJMNVTHP-DEOSSOPVSA-N 0 0 348.389 5.308 50 0 EKAARN O=[S@@](Cc1cccc2ccccc21)Cc1ccccc1C(F)(F)F ZINC000084598484 564068965 /nfs/dbraw/zinc/06/89/65/564068965.db2.gz UPFGZMPJMNVTHP-XMMPIXPASA-N 0 0 348.389 5.308 50 0 EKAARN S=C(NCc1csc2ccccc12)Nc1ccc2ccccc2c1 ZINC000084605946 564069038 /nfs/dbraw/zinc/06/90/38/564069038.db2.gz OYSARPDTWBBFEW-UHFFFAOYSA-N 0 0 348.496 5.541 50 0 EKAARN C[C@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1CC1 ZINC000084636389 564069263 /nfs/dbraw/zinc/06/92/63/564069263.db2.gz RDIBNAZYKCIBDE-ZETCQYMHSA-N 0 0 347.789 5.102 50 0 EKAARN C[C@@H](NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)C1CC1 ZINC000084636390 564069241 /nfs/dbraw/zinc/06/92/41/564069241.db2.gz RDIBNAZYKCIBDE-SSDOTTSWSA-N 0 0 347.789 5.102 50 0 EKAARN C[C@H](Sc1nnc2sc3ccccc3n12)c1c(F)cccc1F ZINC000084647355 564069372 /nfs/dbraw/zinc/06/93/72/564069372.db2.gz UTUYRTIOQSIKLM-VIFPVBQESA-N 0 0 347.415 5.076 50 0 EKAARN C[C@@H](Sc1nnc2sc3ccccc3n12)c1c(F)cccc1F ZINC000084647358 564069369 /nfs/dbraw/zinc/06/93/69/564069369.db2.gz UTUYRTIOQSIKLM-SECBINFHSA-N 0 0 347.415 5.076 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C[C@@H](NC(=S)Nc1ccccc1-c1cccs1)c1ccccc1 ZINC000084656682 564069428 /nfs/dbraw/zinc/06/94/28/564069428.db2.gz SVHXJCXJAZHQPC-CQSZACIVSA-N 0 0 338.501 5.463 50 0 EKAARN CC1(C)CC[C@H](NC(=O)c2sccc2C2CC2)c2ccccc21 ZINC000084673348 564069572 /nfs/dbraw/zinc/06/95/72/564069572.db2.gz NEXWHGPLFRCZFI-KRWDZBQOSA-N 0 0 325.477 5.168 50 0 EKAARN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000084689461 217632868 /nfs/dbraw/zinc/63/28/68/217632868.db2.gz PMJXRUMWPLIBQS-TXEJJXNPSA-N 0 0 342.489 5.038 50 0 EKAARN C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000084689463 564069659 /nfs/dbraw/zinc/06/96/59/564069659.db2.gz PMJXRUMWPLIBQS-RYUDHWBXSA-N 0 0 342.489 5.038 50 0 EKAARN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000084689465 564069629 /nfs/dbraw/zinc/06/96/29/564069629.db2.gz PMJXRUMWPLIBQS-VXGBXAGGSA-N 0 0 342.489 5.038 50 0 EKAARN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCCCCC3)c2)C1 ZINC000084689680 564069604 /nfs/dbraw/zinc/06/96/04/564069604.db2.gz 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564001203 /nfs/dbraw/zinc/00/12/03/564001203.db2.gz PUEVDQDYSHBEFB-UHFFFAOYSA-N 0 0 339.192 5.252 50 0 EKAARN Clc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1Cl ZINC000085345323 217660087 /nfs/dbraw/zinc/66/00/87/217660087.db2.gz ZSJJZAPAYWLGPX-UHFFFAOYSA-N 0 0 329.186 5.797 50 0 EKAARN Clc1ccc(Cl)c(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1 ZINC000085345343 564001210 /nfs/dbraw/zinc/00/12/10/564001210.db2.gz DRULLTRSUXJZHD-UHFFFAOYSA-N 0 0 329.186 5.797 50 0 EKAARN Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1Cl ZINC000085345357 564001226 /nfs/dbraw/zinc/00/12/26/564001226.db2.gz FCPWBOPWKPCMOT-UHFFFAOYSA-N 0 0 329.186 5.797 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2cccs2)S1 ZINC000085412368 564072856 /nfs/dbraw/zinc/07/28/56/564072856.db2.gz URAMTRDIAJQROR-HNNXBMFYSA-N 0 0 347.509 5.019 50 0 EKAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2cccs2)S1 ZINC000085412372 564072880 /nfs/dbraw/zinc/07/28/80/564072880.db2.gz URAMTRDIAJQROR-OAHLLOKOSA-N 0 0 347.509 5.019 50 0 EKAARN CC[C@@H](C)N1C(=O)CC[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000085430325 563973826 /nfs/dbraw/zinc/97/38/26/563973826.db2.gz YAUWRDYQOFEPPN-BEFAXECRSA-N 0 0 332.447 5.297 50 0 EKAARN CC[C@H](C)N1C(=O)CC[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000085430327 563973800 /nfs/dbraw/zinc/97/38/00/563973800.db2.gz YAUWRDYQOFEPPN-KXBFYZLASA-N 0 0 332.447 5.297 50 0 EKAARN CC[C@@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000085430329 563973814 /nfs/dbraw/zinc/97/38/14/563973814.db2.gz YAUWRDYQOFEPPN-DNVCBOLYSA-N 0 0 332.447 5.297 50 0 EKAARN CC[C@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000085430331 203545311 /nfs/dbraw/zinc/54/53/11/203545311.db2.gz YAUWRDYQOFEPPN-HNAYVOBHSA-N 0 0 332.447 5.297 50 0 EKAARN S=C(CCc1ccc2ccccc2c1)Nc1ccc2scnc2c1 ZINC000085436334 564073210 /nfs/dbraw/zinc/07/32/10/564073210.db2.gz UIWAZHVORPEVMQ-UHFFFAOYSA-N 0 0 348.496 5.822 50 0 EKAARN O=C(CCc1ccc2ccccc2c1)Nc1ccc2scnc2c1 ZINC000085436335 564073185 /nfs/dbraw/zinc/07/31/85/564073185.db2.gz JTSXGLSZBAVXAW-UHFFFAOYSA-N 0 0 332.428 5.021 50 0 EKAARN c1csc(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000085473475 564073532 /nfs/dbraw/zinc/07/35/32/564073532.db2.gz AZYWOIGOESMGHP-UHFFFAOYSA-N 0 0 340.517 5.251 50 0 EKAARN COc1ccc2c(C)cc(SCc3c(F)cccc3Cl)nc2c1 ZINC000085565120 564074018 /nfs/dbraw/zinc/07/40/18/564074018.db2.gz AWTFBDDGEQKJSM-UHFFFAOYSA-N 0 0 347.842 5.637 50 0 EKAARN c1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 ZINC000085624471 564019865 /nfs/dbraw/zinc/01/98/65/564019865.db2.gz BSQBFYHLXIFJJB-UHFFFAOYSA-N 0 0 349.503 5.607 50 0 EKAARN CSc1ccccc1CCC(=O)c1c(Cl)cccc1Cl ZINC000085651860 217681019 /nfs/dbraw/zinc/68/10/19/217681019.db2.gz VEGFAKIGSQSYLU-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN CSc1ccc(CCC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000085651904 563973950 /nfs/dbraw/zinc/97/39/50/563973950.db2.gz ANBWNKHZSZBPIW-UHFFFAOYSA-N 0 0 325.260 5.531 50 0 EKAARN O=C(CCc1ccc(Cl)c(F)c1)c1c(Cl)cccc1Cl ZINC000085652004 563973956 /nfs/dbraw/zinc/97/39/56/563973956.db2.gz OZSBAICUJJCEKX-UHFFFAOYSA-N 0 0 331.601 5.601 50 0 EKAARN O=C(CCc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000085652006 203546781 /nfs/dbraw/zinc/54/67/81/203546781.db2.gz CPICBFMLHQTGSZ-UHFFFAOYSA-N 0 0 331.601 5.601 50 0 EKAARN O=C(CCc1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl ZINC000085652007 563973947 /nfs/dbraw/zinc/97/39/47/563973947.db2.gz PMFUIGHJIMRBGT-UHFFFAOYSA-N 0 0 347.163 5.828 50 0 EKAARN O=C(CCc1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000085652008 563973948 /nfs/dbraw/zinc/97/39/48/563973948.db2.gz VMMVSCMQTOVCHG-UHFFFAOYSA-N 0 0 347.163 5.828 50 0 EKAARN O=C(CCc1ccc(C(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000085652010 563973936 /nfs/dbraw/zinc/97/39/36/563973936.db2.gz CPCJTAKXNQLLGI-UHFFFAOYSA-N 0 0 347.163 5.828 50 0 EKAARN O=C(CCc1cc(F)cc(Cl)c1)c1c(Cl)cccc1Cl ZINC000085652012 563973953 /nfs/dbraw/zinc/97/39/53/563973953.db2.gz UDYXHSZZIPCRSV-UHFFFAOYSA-N 0 0 331.601 5.601 50 0 EKAARN O=C(CCc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000085652014 563973943 /nfs/dbraw/zinc/97/39/43/563973943.db2.gz NEHALHZCLZPZAW-UHFFFAOYSA-N 0 0 348.056 6.116 50 0 EKAARN O=C(CCc1cc(Cl)cc(Cl)c1)c1c(Cl)cccc1Cl ZINC000085652015 563973926 /nfs/dbraw/zinc/97/39/26/563973926.db2.gz HESCLEICGQVXHS-UHFFFAOYSA-N 0 0 348.056 6.116 50 0 EKAARN O=C(CCc1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000085652022 563973937 /nfs/dbraw/zinc/97/39/37/563973937.db2.gz BELCSHDOTHGRBP-UHFFFAOYSA-N 0 0 333.136 5.226 50 0 EKAARN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000085722617 217683062 /nfs/dbraw/zinc/68/30/62/217683062.db2.gz XGWZNZRXWIIPCU-UHFFFAOYSA-N 0 0 343.486 5.169 50 0 EKAARN c1csc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 ZINC000085826869 563931462 /nfs/dbraw/zinc/93/14/62/563931462.db2.gz IDCRYSAWSPDLKT-UHFFFAOYSA-N 0 0 348.515 5.155 50 0 EKAARN Fc1c(COc2ccc(Br)cc2)cccc1C(F)(F)F ZINC000086014417 563974056 /nfs/dbraw/zinc/97/40/56/563974056.db2.gz TZBDPTKXZKUYEQ-UHFFFAOYSA-N 0 0 349.121 5.186 50 0 EKAARN c1c2cc3sc(-c4ccccc4)cc3cc2sc1-c1ccccc1 ZINC000086032313 563974060 /nfs/dbraw/zinc/97/40/60/563974060.db2.gz WNNUVWFCGFUJFU-UHFFFAOYSA-N 0 0 342.488 7.450 50 0 EKAARN Fc1ccc(COc2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000086033252 563974064 /nfs/dbraw/zinc/97/40/64/563974064.db2.gz BAXSKPBBKBNXRD-UHFFFAOYSA-N 0 0 349.121 5.186 50 0 EKAARN Cc1ccccc1-c1cc(-c2ccccc2C)cc(-c2ccccc2C)c1 ZINC000086036951 563974042 /nfs/dbraw/zinc/97/40/42/563974042.db2.gz SRJLTGIQCDVQIA-UHFFFAOYSA-N 0 0 348.489 7.613 50 0 EKAARN Fc1ccc(-c2cnc3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000086071859 217688650 /nfs/dbraw/zinc/68/86/50/217688650.db2.gz CFQJUEZGCZHUBH-UHFFFAOYSA-N 0 0 326.680 5.108 50 0 EKAARN Cc1nc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)sc1C ZINC000087003553 564062103 /nfs/dbraw/zinc/06/21/03/564062103.db2.gz RZFYWYHHLLIFKS-FVINQWEUSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)sc1C ZINC000087003554 564062106 /nfs/dbraw/zinc/06/21/06/564062106.db2.gz RZFYWYHHLLIFKS-WVDJIFEKSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)sc1C ZINC000087003555 564062107 /nfs/dbraw/zinc/06/21/07/564062107.db2.gz RZFYWYHHLLIFKS-SBKAZYGRSA-N 0 0 348.320 5.077 50 0 EKAARN Cc1nc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)sc1C ZINC000087003556 564062096 /nfs/dbraw/zinc/06/20/96/564062096.db2.gz RZFYWYHHLLIFKS-CFMSYZGJSA-N 0 0 348.320 5.077 50 0 EKAARN CC(=O)OC/C=C(C)\C=C\C=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000087492913 563643876 /nfs/dbraw/zinc/64/38/76/563643876.db2.gz QGNJRVVDBSJHIZ-AAROXGBTSA-N 0 0 328.496 6.081 50 0 EKAARN COc1ccccc1-c1nc(CNc2cccc3ccccc32)cs1 ZINC000089483974 217804591 /nfs/dbraw/zinc/80/45/91/217804591.db2.gz VMFWLXBIWJKCGV-UHFFFAOYSA-N 0 0 346.455 5.584 50 0 EKAARN Cc1c(F)cccc1NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000089540344 217810109 /nfs/dbraw/zinc/81/01/09/217810109.db2.gz LXJWFKKZZLGMLJ-DYESRHJHSA-N 0 0 338.426 5.067 50 0 EKAARN Cc1c(F)cccc1NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000089540346 217809964 /nfs/dbraw/zinc/80/99/64/217809964.db2.gz LXJWFKKZZLGMLJ-LAUBAEHRSA-N 0 0 338.426 5.067 50 0 EKAARN Cc1c(F)cccc1NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000089540348 564092781 /nfs/dbraw/zinc/09/27/81/564092781.db2.gz LXJWFKKZZLGMLJ-UTKZUKDTSA-N 0 0 338.426 5.067 50 0 EKAARN Cc1c(F)cccc1NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000089540351 564092787 /nfs/dbraw/zinc/09/27/87/564092787.db2.gz LXJWFKKZZLGMLJ-UWJYYQICSA-N 0 0 338.426 5.067 50 0 EKAARN Cc1ccc(C)c([C@@H](C)NCc2csc(Cc3ccccc3)n2)c1 ZINC000089612035 564112706 /nfs/dbraw/zinc/11/27/06/564112706.db2.gz DZEUSEWGKWGGGP-QGZVFWFLSA-N 0 0 336.504 5.202 50 0 EKAARN Cc1ccc(C)c([C@H](C)NCc2csc(Cc3ccccc3)n2)c1 ZINC000089612036 564112718 /nfs/dbraw/zinc/11/27/18/564112718.db2.gz DZEUSEWGKWGGGP-KRWDZBQOSA-N 0 0 336.504 5.202 50 0 EKAARN Cc1ccc(Nc2nc3ccc(C)cc3c(-c3ccccc3)n2)c(C)c1 ZINC000089614217 564112686 /nfs/dbraw/zinc/11/26/86/564112686.db2.gz FXGFIEPZPVCUMA-UHFFFAOYSA-N 0 0 339.442 5.966 50 0 EKAARN Cc1cccc(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000089688843 564113087 /nfs/dbraw/zinc/11/30/87/564113087.db2.gz ZIHYNVNPBDMDSU-ZDUSSCGKSA-N 0 0 332.447 5.162 50 0 EKAARN Cc1cccc(C)c1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000089688844 564113091 /nfs/dbraw/zinc/11/30/91/564113091.db2.gz ZIHYNVNPBDMDSU-CYBMUJFWSA-N 0 0 332.447 5.162 50 0 EKAARN Cc1cccc(OC(F)F)c1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000089788621 564113810 /nfs/dbraw/zinc/11/38/10/564113810.db2.gz FCJWBWCFQLVCGH-UHFFFAOYSA-N 0 0 343.329 5.109 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)N1CC[C@@H](c2ccccc2)C1 ZINC000089828091 564114120 /nfs/dbraw/zinc/11/41/20/564114120.db2.gz RIJVKRSWCHFKFS-QGZVFWFLSA-N 0 0 348.471 5.437 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)N1CC[C@H](c2ccccc2)C1 ZINC000089828092 217854659 /nfs/dbraw/zinc/85/46/59/217854659.db2.gz RIJVKRSWCHFKFS-KRWDZBQOSA-N 0 0 348.471 5.437 50 0 EKAARN O=C(c1sccc1-c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000089851231 564114360 /nfs/dbraw/zinc/11/43/60/564114360.db2.gz CCGOXKNELQRDOK-SFHVURJKSA-N 0 0 333.456 5.045 50 0 EKAARN O=C(c1sccc1-c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000089851232 564114347 /nfs/dbraw/zinc/11/43/47/564114347.db2.gz CCGOXKNELQRDOK-GOSISDBHSA-N 0 0 333.456 5.045 50 0 EKAARN O=C(Nc1cccc(COC2CCCCC2)c1)c1cc2ccccc2o1 ZINC000089873062 564114439 /nfs/dbraw/zinc/11/44/39/564114439.db2.gz SOSZEOHKVYDHEK-UHFFFAOYSA-N 0 0 349.430 5.534 50 0 EKAARN CC(C)Oc1ccc2ccccc2c1CN1CCCc2ccccc21 ZINC000089890878 564114872 /nfs/dbraw/zinc/11/48/72/564114872.db2.gz YNYHJNKHZRKMTQ-UHFFFAOYSA-N 0 0 331.459 5.580 50 0 EKAARN C[C@H](CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 ZINC000089894553 564114903 /nfs/dbraw/zinc/11/49/03/564114903.db2.gz SRDBJHKJUMWDHQ-CYBMUJFWSA-N 0 0 336.460 5.338 50 0 EKAARN C[C@H](c1ccc(F)cc1)[S@@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000089904793 564115022 /nfs/dbraw/zinc/11/50/22/564115022.db2.gz NMSWAUCAHJXYNP-CDEUHXGRSA-N 0 0 343.423 5.052 50 0 EKAARN C[C@H](c1ccc(F)cc1)[S@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000089904795 564114994 /nfs/dbraw/zinc/11/49/94/564114994.db2.gz NMSWAUCAHJXYNP-QWJLCTJOSA-N 0 0 343.423 5.052 50 0 EKAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3c2C1 ZINC000089930070 203603715 /nfs/dbraw/zinc/60/37/15/203603715.db2.gz QBFYFEMIPNGXQD-GFCCVEGCSA-N 0 0 339.822 5.165 50 0 EKAARN C[C@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3c2C1 ZINC000089930071 564115514 /nfs/dbraw/zinc/11/55/14/564115514.db2.gz QBFYFEMIPNGXQD-LBPRGKRZSA-N 0 0 339.822 5.165 50 0 EKAARN CCCCN(C(=O)c1cc2sc3ccccc3c2s1)C1CC1 ZINC000089954691 564115872 /nfs/dbraw/zinc/11/58/72/564115872.db2.gz JCSZWHQCFXLERV-UHFFFAOYSA-N 0 0 329.490 5.521 50 0 EKAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1 ZINC000090421061 564084391 /nfs/dbraw/zinc/08/43/91/564084391.db2.gz CYJIBRVUXPTITB-UHFFFAOYSA-N 0 0 349.817 5.132 50 0 EKAARN CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1 ZINC000090423789 563974929 /nfs/dbraw/zinc/97/49/29/563974929.db2.gz YBPXWWAJMUUUAV-UHFFFAOYSA-N 0 0 344.351 6.530 50 0 EKAARN Clc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000090487130 563961084 /nfs/dbraw/zinc/96/10/84/563961084.db2.gz AJSOWJLBAVMDJX-UHFFFAOYSA-N 0 0 342.829 6.131 50 0 EKAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2[nH]ccc21 ZINC000090610280 564084989 /nfs/dbraw/zinc/08/49/89/564084989.db2.gz OKMNPTRBKGHHPO-UHFFFAOYSA-N 0 0 338.716 5.092 50 0 EKAARN CC[C@H](C(=O)N(Cc1ccoc1)Cc1cccs1)c1ccccc1 ZINC000090612106 217944911 /nfs/dbraw/zinc/94/49/11/217944911.db2.gz SCCMEBPTLUYQQI-IBGZPJMESA-N 0 0 339.460 5.064 50 0 EKAARN CC[C@@H](C(=O)N(Cc1ccoc1)Cc1cccs1)c1ccccc1 ZINC000090612108 564085059 /nfs/dbraw/zinc/08/50/59/564085059.db2.gz SCCMEBPTLUYQQI-LJQANCHMSA-N 0 0 339.460 5.064 50 0 EKAARN O=C(c1cccc2ccccc21)N(Cc1ccoc1)Cc1cccs1 ZINC000090612136 564085051 /nfs/dbraw/zinc/08/50/51/564085051.db2.gz UJUKWCKIRFOWCP-UHFFFAOYSA-N 0 0 347.439 5.337 50 0 EKAARN O=C(Nc1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1 ZINC000090612232 564085007 /nfs/dbraw/zinc/08/50/07/564085007.db2.gz NIAUVVIEVDRKDW-UHFFFAOYSA-N 0 0 346.839 5.229 50 0 EKAARN Cc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1 ZINC000091296937 563975221 /nfs/dbraw/zinc/97/52/21/563975221.db2.gz RODQKGBYDIAMCF-UHFFFAOYSA-N 0 0 336.232 5.855 50 0 EKAARN CC1(C)C(C(=O)c2cn(CCCCCF)c3ccccc23)C1(C)C ZINC000091297350 563975240 /nfs/dbraw/zinc/97/52/40/563975240.db2.gz PXLDPUUMIHVLEC-UHFFFAOYSA-N 0 0 329.459 5.646 50 0 in-vitro EKAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccc3oc(C)cc3c2)c1 ZINC000091656613 563975626 /nfs/dbraw/zinc/97/56/26/563975626.db2.gz SSQNCAKLMSUNBC-HXUWFJFHSA-N 0 0 349.430 5.117 50 0 EKAARN COc1cccc([C@@H]2CCCCN2C(=O)c2ccc3oc(C)cc3c2)c1 ZINC000091656614 218040949 /nfs/dbraw/zinc/04/09/49/218040949.db2.gz SSQNCAKLMSUNBC-FQEVSTJZSA-N 0 0 349.430 5.117 50 0 EKAARN CC(C)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000091689938 203646963 /nfs/dbraw/zinc/64/69/63/203646963.db2.gz QMHUQACYEOZUBF-UHFFFAOYSA-N 0 0 338.234 5.231 50 0 EKAARN Cc1cc(C)n(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000091690493 218048086 /nfs/dbraw/zinc/04/80/86/218048086.db2.gz INBVKSSLUGFHDI-UHFFFAOYSA-N 0 0 338.454 5.340 50 0 EKAARN CCCC[C@@H](c1cccnc1)N(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000091755871 218060552 /nfs/dbraw/zinc/06/05/52/218060552.db2.gz VPRJJMAXFGITBK-FQEVSTJZSA-N 0 0 349.478 5.183 50 0 EKAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000091755874 218060882 /nfs/dbraw/zinc/06/08/82/218060882.db2.gz VPRJJMAXFGITBK-HXUWFJFHSA-N 0 0 349.478 5.183 50 0 EKAARN Cc1c(Cl)cc(C(=O)N2CCCC[C@@H]2c2ccccn2)cc1Cl ZINC000091860658 218080123 /nfs/dbraw/zinc/08/01/23/218080123.db2.gz YHMJMKYCEALAOL-QGZVFWFLSA-N 0 0 349.261 5.064 50 0 EKAARN Cc1c(Cl)cc(C(=O)N2CCCC[C@H]2c2ccccn2)cc1Cl ZINC000091860661 218079928 /nfs/dbraw/zinc/07/99/28/218079928.db2.gz YHMJMKYCEALAOL-KRWDZBQOSA-N 0 0 349.261 5.064 50 0 EKAARN Cc1cc2cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4[nH]3)ccc2o1 ZINC000091876891 218082108 /nfs/dbraw/zinc/08/21/08/218082108.db2.gz WABCDUIEIGRAGG-AWEZNQCLSA-N 0 0 332.403 5.056 50 0 EKAARN Cc1cc2cc(C(=O)N(C)[C@H](C)c3cc4ccccc4[nH]3)ccc2o1 ZINC000091876892 218081977 /nfs/dbraw/zinc/08/19/77/218081977.db2.gz WABCDUIEIGRAGG-CQSZACIVSA-N 0 0 332.403 5.056 50 0 EKAARN CCCc1nc(C(=O)N(Cc2ccc(C)s2)C2CCCC2)cs1 ZINC000092028423 563976003 /nfs/dbraw/zinc/97/60/03/563976003.db2.gz WIKJTFWCYMKCPJ-UHFFFAOYSA-N 0 0 348.537 5.051 50 0 EKAARN c1ccc(CSc2nc(-c3ccccc3)oc2-c2ccccc2)cc1 ZINC000094992777 218271628 /nfs/dbraw/zinc/27/16/28/218271628.db2.gz XNIITWQVRQBHMN-UHFFFAOYSA-N 0 0 343.451 6.301 50 0 EKAARN COc1cc(C=O)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000095098644 203713064 /nfs/dbraw/zinc/71/30/64/203713064.db2.gz ZMJJYTRBDXTJBV-UHFFFAOYSA-N 0 0 345.609 5.047 50 0 EKAARN Fc1ccc(Oc2ccc(-c3ccn(-c4ccccc4)n3)cc2)cc1 ZINC000095100076 218281664 /nfs/dbraw/zinc/28/16/64/218281664.db2.gz RPERCFMEGRJFFF-UHFFFAOYSA-N 0 0 330.362 5.471 50 0 EKAARN Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)c1 ZINC000095116513 218282013 /nfs/dbraw/zinc/28/20/13/218282013.db2.gz DKZXMGRKTXIHQF-UHFFFAOYSA-N 0 0 328.371 5.056 50 0 EKAARN CCc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 ZINC000095116514 563976682 /nfs/dbraw/zinc/97/66/82/563976682.db2.gz FRCURKLYRCVTKQ-UHFFFAOYSA-N 0 0 342.398 5.310 50 0 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/nfs/dbraw/zinc/14/26/95/564142695.db2.gz NDIQWPADYUEXOI-RBZFPXEDSA-N 0 0 334.840 5.080 50 0 EKAARN CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1ccc(Cl)s1 ZINC000095960694 564142723 /nfs/dbraw/zinc/14/27/23/564142723.db2.gz NDIQWPADYUEXOI-XCLFUZPHSA-N 0 0 334.840 5.080 50 0 EKAARN C[C@@H](c1cccs1)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000095960712 564142718 /nfs/dbraw/zinc/14/27/18/564142718.db2.gz HESYJLYCZDPFBB-QWRGUYRKSA-N 0 0 348.411 5.004 50 0 EKAARN C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)[C@@H](C)c1cccs1 ZINC000095960713 564142725 /nfs/dbraw/zinc/14/27/25/564142725.db2.gz HESYJLYCZDPFBB-MNOVXSKESA-N 0 0 348.411 5.004 50 0 EKAARN C[C@H](c1cccs1)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000095960714 218466414 /nfs/dbraw/zinc/46/64/14/218466414.db2.gz HESYJLYCZDPFBB-WDEREUQCSA-N 0 0 348.411 5.004 50 0 EKAARN C[C@H](c1cccs1)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000095960715 564142698 /nfs/dbraw/zinc/14/26/98/564142698.db2.gz HESYJLYCZDPFBB-GHMZBOCLSA-N 0 0 348.411 5.004 50 0 EKAARN C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cccc(F)c1 ZINC000095962095 218466790 /nfs/dbraw/zinc/46/67/90/218466790.db2.gz SWPFUBRNANOLKO-WVDJIFEKSA-N 0 0 331.239 5.142 50 0 EKAARN C[C@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cccc(F)c1 ZINC000095962096 564142737 /nfs/dbraw/zinc/14/27/37/564142737.db2.gz SWPFUBRNANOLKO-CFMSYZGJSA-N 0 0 331.239 5.142 50 0 EKAARN C[C@@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cccc(F)c1 ZINC000095962097 218466677 /nfs/dbraw/zinc/46/66/77/218466677.db2.gz SWPFUBRNANOLKO-FVINQWEUSA-N 0 0 331.239 5.142 50 0 EKAARN C[C@H](c1ccc(Cl)c(Cl)c1)[S@](=O)Cc1cccc(F)c1 ZINC000095962098 564142800 /nfs/dbraw/zinc/14/28/00/564142800.db2.gz SWPFUBRNANOLKO-SBKAZYGRSA-N 0 0 331.239 5.142 50 0 EKAARN Clc1ccc(CSCc2csc([C@@H]3CCCO3)n2)cc1 ZINC000095975900 564143564 /nfs/dbraw/zinc/14/35/64/564143564.db2.gz JKBWYAIEDPXNAK-AWEZNQCLSA-N 0 0 325.886 5.081 50 0 EKAARN Clc1ccc(CSCc2csc([C@H]3CCCO3)n2)cc1 ZINC000095975901 564143572 /nfs/dbraw/zinc/14/35/72/564143572.db2.gz JKBWYAIEDPXNAK-CQSZACIVSA-N 0 0 325.886 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344.720 5.191 50 0 EKAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1F ZINC000096170959 563979991 /nfs/dbraw/zinc/97/99/91/563979991.db2.gz UTBJHPWDYFXOBZ-UHFFFAOYSA-N 0 0 348.683 5.022 50 0 EKAARN CC(C)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000096170984 563980015 /nfs/dbraw/zinc/98/00/15/563980015.db2.gz OPNTYAJEURHBLV-UHFFFAOYSA-N 0 0 338.329 5.353 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000096171023 203850959 /nfs/dbraw/zinc/85/09/59/203850959.db2.gz LOGRAOWYDCJAIN-UHFFFAOYSA-N 0 0 344.720 5.191 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000096171029 203851263 /nfs/dbraw/zinc/85/12/63/203851263.db2.gz ZGQFQJRNWGSUQO-UHFFFAOYSA-N 0 0 344.720 5.191 50 0 EKAARN Cc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1F ZINC000096171069 563980010 /nfs/dbraw/zinc/98/00/10/563980010.db2.gz FPYVUDBPURYNCX-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 ZINC000096171075 218641222 /nfs/dbraw/zinc/64/12/22/218641222.db2.gz 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/nfs/dbraw/zinc/98/00/05/563980005.db2.gz FXKFQLPEOHMGIS-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN CCc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096171162 218641233 /nfs/dbraw/zinc/64/12/33/218641233.db2.gz BGLJSUOSGKDBHJ-UHFFFAOYSA-N 0 0 342.748 5.565 50 0 EKAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000096171173 563979998 /nfs/dbraw/zinc/97/99/98/563979998.db2.gz BFIITOJGTRBGFW-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000096171175 203850221 /nfs/dbraw/zinc/85/02/21/203850221.db2.gz NIWFEFCRWKQJFE-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN COc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000096171195 563980013 /nfs/dbraw/zinc/98/00/13/563980013.db2.gz QVDDJZFCHHXQHM-UHFFFAOYSA-N 0 0 344.720 5.011 50 0 EKAARN Cc1ccc(F)cc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096171218 203850381 /nfs/dbraw/zinc/85/03/81/203850381.db2.gz NTHNOHWJQUCNGC-UHFFFAOYSA-N 0 0 346.711 5.450 50 0 EKAARN COc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000096171222 563980051 /nfs/dbraw/zinc/98/00/51/563980051.db2.gz HEOGJZFUBNTVNG-UHFFFAOYSA-N 0 0 344.720 5.011 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000096171288 563980026 /nfs/dbraw/zinc/98/00/26/563980026.db2.gz ITQUEKSJUGLSEV-UHFFFAOYSA-N 0 0 342.748 5.620 50 0 EKAARN CO[C@](C)(c1ccccc1Cl)c1ccccc1Br ZINC000096171602 563980042 /nfs/dbraw/zinc/98/00/42/563980042.db2.gz JOUFYYHWYPWHOS-HNNXBMFYSA-N 0 0 325.633 5.012 50 0 EKAARN CO[C@@](C)(c1ccccc1Cl)c1ccccc1Br ZINC000096171603 563980046 /nfs/dbraw/zinc/98/00/46/563980046.db2.gz JOUFYYHWYPWHOS-OAHLLOKOSA-N 0 0 325.633 5.012 50 0 EKAARN Cc1nc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)sc1C ZINC000096183817 218647127 /nfs/dbraw/zinc/64/71/27/218647127.db2.gz HAFKOXUXGWMMFR-UHFFFAOYSA-N 0 0 348.811 5.051 50 0 EKAARN CN(Cc1cccs1)C(=O)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183834 218646475 /nfs/dbraw/zinc/64/64/75/218646475.db2.gz SSCFVVSPNFZODF-UHFFFAOYSA-N 0 0 347.823 5.059 50 0 EKAARN O=C(c1coc2ccc(OCc3ccc(F)cc3)cc12)c1ccccc1 ZINC000096184067 218646459 /nfs/dbraw/zinc/64/64/59/218646459.db2.gz VRUQYKZMQMQKMX-UHFFFAOYSA-N 0 0 346.357 5.382 50 0 EKAARN Cc1cccc(COc2ccc3occ(C(=O)c4ccccc4)c3c2)c1 ZINC000096184068 218646643 /nfs/dbraw/zinc/64/66/43/218646643.db2.gz ZUNOJBUDJBMMJG-UHFFFAOYSA-N 0 0 342.394 5.551 50 0 EKAARN Cc1ccc(COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 ZINC000096184070 564145898 /nfs/dbraw/zinc/14/58/98/564145898.db2.gz WDCDYIHSTNLMTA-UHFFFAOYSA-N 0 0 342.394 5.551 50 0 EKAARN O=C(c1coc2ccc(OCc3ccccc3F)cc12)c1ccccc1 ZINC000096184073 564145912 /nfs/dbraw/zinc/14/59/12/564145912.db2.gz AXMZJMDMVVCGCM-UHFFFAOYSA-N 0 0 346.357 5.382 50 0 EKAARN Cc1cccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)c1 ZINC000096184243 564145887 /nfs/dbraw/zinc/14/58/87/564145887.db2.gz GAJOHBOXCYIBLO-UHFFFAOYSA-N 0 0 332.355 5.144 50 0 EKAARN Cc1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 ZINC000096184244 218647403 /nfs/dbraw/zinc/64/74/03/218647403.db2.gz NURCLSBOTZJKSJ-UHFFFAOYSA-N 0 0 332.355 5.144 50 0 EKAARN O=C(c1cccn1-c1ccc2ccccc2c1)C(Cl)(Cl)Cl ZINC000096191842 218660959 /nfs/dbraw/zinc/66/09/59/218660959.db2.gz SLNMNHWKGMCUFU-UHFFFAOYSA-N 0 0 338.621 5.183 50 0 EKAARN C(=C/c1ccccc1)\COc1ccc2occ(-c3ccccn3)c2c1 ZINC000096230937 564146060 /nfs/dbraw/zinc/14/60/60/564146060.db2.gz MZQDTVHWBZVXSL-RMKNXTFCSA-N 0 0 327.383 5.587 50 0 EKAARN CCc1cccc2c([C@H](CC(=O)Nc3ccccc3)CC(C)C)c[nH]c21 ZINC000096276283 564146276 /nfs/dbraw/zinc/14/62/76/564146276.db2.gz WVKGLXPBONMKID-SFHVURJKSA-N 0 0 348.490 5.889 50 0 EKAARN CCc1cccc2c([C@@H](CC(=O)Nc3ccccc3)CC(C)C)c[nH]c21 ZINC000096276284 564146268 /nfs/dbraw/zinc/14/62/68/564146268.db2.gz WVKGLXPBONMKID-GOSISDBHSA-N 0 0 348.490 5.889 50 0 EKAARN CC(C)CNC(=O)C[C@H](CC(C)C)c1c[nH]c2ccc(Cl)cc21 ZINC000096276379 564146285 /nfs/dbraw/zinc/14/62/85/564146285.db2.gz UUPBNGLFHXSTEG-AWEZNQCLSA-N 0 0 334.891 5.113 50 0 EKAARN CC(C)CNC(=O)C[C@@H](CC(C)C)c1c[nH]c2ccc(Cl)cc21 ZINC000096276380 564146262 /nfs/dbraw/zinc/14/62/62/564146262.db2.gz UUPBNGLFHXSTEG-CQSZACIVSA-N 0 0 334.891 5.113 50 0 EKAARN CC(C)C[C@@H](CC(=O)NCc1ccccc1)c1cn(C)c2ccccc12 ZINC000096276582 564146281 /nfs/dbraw/zinc/14/62/81/564146281.db2.gz XYBIIKKUOXCDRM-IBGZPJMESA-N 0 0 348.490 5.015 50 0 EKAARN CC(C)C[C@H](CC(=O)NCc1ccccc1)c1cn(C)c2ccccc12 ZINC000096276583 564146280 /nfs/dbraw/zinc/14/62/80/564146280.db2.gz XYBIIKKUOXCDRM-LJQANCHMSA-N 0 0 348.490 5.015 50 0 EKAARN CCc1cccc2c([C@H](CC(=O)NCC(C)C)CC(C)C)c[nH]c21 ZINC000096278395 564146336 /nfs/dbraw/zinc/14/63/36/564146336.db2.gz LOOXYLPXCCDZQR-KRWDZBQOSA-N 0 0 328.500 5.022 50 0 EKAARN CCc1cccc2c([C@@H](CC(=O)NCC(C)C)CC(C)C)c[nH]c21 ZINC000096278396 564146344 /nfs/dbraw/zinc/14/63/44/564146344.db2.gz LOOXYLPXCCDZQR-QGZVFWFLSA-N 0 0 328.500 5.022 50 0 EKAARN CC(C)CNC(=O)C[C@@H](CCc1ccccc1)c1c[nH]c2ccccc21 ZINC000096278599 564146333 /nfs/dbraw/zinc/14/63/33/564146333.db2.gz OEMDAQNDTABNCX-LJQANCHMSA-N 0 0 348.490 5.047 50 0 EKAARN CC(C)CNC(=O)C[C@H](CCc1ccccc1)c1c[nH]c2ccccc21 ZINC000096278600 564146327 /nfs/dbraw/zinc/14/63/27/564146327.db2.gz OEMDAQNDTABNCX-IBGZPJMESA-N 0 0 348.490 5.047 50 0 EKAARN Cc1cc(-c2nc3ccccc3o2)ccc1NC(=O)c1ccc(F)cc1 ZINC000096278952 564146350 /nfs/dbraw/zinc/14/63/50/564146350.db2.gz SBXGUIDZXKWRJO-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN Cc1cccc2oc(-c3ccc(NC(=O)c4ccccc4C)cc3)nc21 ZINC000096279175 203887504 /nfs/dbraw/zinc/88/75/04/203887504.db2.gz YLYHATNHKJTFSZ-UHFFFAOYSA-N 0 0 342.398 5.364 50 0 EKAARN CCc1nc(Nc2ccccc2F)c2cc(Cl)cc(Cl)c2n1 ZINC000096288707 564146396 /nfs/dbraw/zinc/14/63/96/564146396.db2.gz ANMMHWFAMIMJFZ-UHFFFAOYSA-N 0 0 336.197 5.382 50 0 EKAARN CCc1nc(Nc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096288718 564146424 /nfs/dbraw/zinc/14/64/24/564146424.db2.gz XJZIHEAAEBESCI-UHFFFAOYSA-N 0 0 336.197 5.382 50 0 EKAARN CCc1nc(Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096288719 564146421 /nfs/dbraw/zinc/14/64/21/564146421.db2.gz JVYJLACDPJBZAQ-UHFFFAOYSA-N 0 0 348.233 5.251 50 0 EKAARN Cc1ccc2nc(-c3ccco3)nc(N[C@@H](C)c3ccccc3)c2c1 ZINC000096289569 564146401 /nfs/dbraw/zinc/14/64/01/564146401.db2.gz CSVPDLIPJVOVTR-HNNXBMFYSA-N 0 0 329.403 5.371 50 0 EKAARN Cc1ccc2nc(-c3ccco3)nc(N[C@H](C)c3ccccc3)c2c1 ZINC000096289570 564146403 /nfs/dbraw/zinc/14/64/03/564146403.db2.gz CSVPDLIPJVOVTR-OAHLLOKOSA-N 0 0 329.403 5.371 50 0 EKAARN O=C(/C=C\c1ccsc1)Nc1ccccc1Oc1cccc(F)c1 ZINC000096291565 201375403 /nfs/dbraw/zinc/37/54/03/201375403.db2.gz WVALXLLSXDIAAD-HJWRWDBZSA-N 0 0 339.391 5.331 50 0 EKAARN Cc1nc(/C=C\C(=O)N(Cc2ccccc2)c2cccc(C)c2)cs1 ZINC000096297764 218740679 /nfs/dbraw/zinc/74/06/79/218740679.db2.gz HYCFIZDROIICKO-QXMHVHEDSA-N 0 0 348.471 5.007 50 0 EKAARN COc1cc(/C=C\c2nc3c(ccc4ccccc34)s2)ccc1O ZINC000096305135 564146628 /nfs/dbraw/zinc/14/66/28/564146628.db2.gz KEPPVKGOUFDMPK-XFFZJAGNSA-N 0 0 333.412 5.334 50 0 EKAARN c1ccc2c(c1)[nH]c1ccc(-n3c4ccccc4c4ccccc43)cc12 ZINC000096334653 257845150 /nfs/dbraw/zinc/84/51/50/257845150.db2.gz FHJJVSJWFYYPAC-UHFFFAOYSA-N 0 0 332.406 6.418 50 0 EKAARN CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 ZINC000096343747 564146794 /nfs/dbraw/zinc/14/67/94/564146794.db2.gz WAPPTZODZGTYLB-UHFFFAOYSA-N 0 0 347.414 5.298 50 0 EKAARN c1coc(-c2nc(SCc3ccccc3)c(-c3cccs3)o2)c1 ZINC000096346717 564146895 /nfs/dbraw/zinc/14/68/95/564146895.db2.gz XBMKLEQNHNKJQB-UHFFFAOYSA-N 0 0 339.441 5.955 50 0 EKAARN c1csc(-c2oc(-c3ccccc3)nc2SCc2ccccc2)c1 ZINC000096346719 218745253 /nfs/dbraw/zinc/74/52/53/218745253.db2.gz OPWKKLQFWQRRRU-UHFFFAOYSA-N 0 0 349.480 6.362 50 0 EKAARN COc1ccc(/C=C\c2nc3ccccc3s2)cc1OC(F)F ZINC000096399870 218749273 /nfs/dbraw/zinc/74/92/73/218749273.db2.gz MNLWFYADFCNFRK-CLFYSBASSA-N 0 0 333.359 5.077 50 0 EKAARN C[C@@H](c1ccccn1)N(C)C(=O)Nc1sc2ccccc2c1Cl ZINC000096406761 564147326 /nfs/dbraw/zinc/14/73/26/564147326.db2.gz JENUBUMAYNDEGK-NSHDSACASA-N 0 0 345.855 5.175 50 0 EKAARN C[C@H](c1ccccn1)N(C)C(=O)Nc1sc2ccccc2c1Cl ZINC000096406762 564147345 /nfs/dbraw/zinc/14/73/45/564147345.db2.gz JENUBUMAYNDEGK-LLVKDONJSA-N 0 0 345.855 5.175 50 0 EKAARN Cc1nnc([C@@H](C)Nc2cccc(CSC3CCCCC3)c2)o1 ZINC000096408705 564147503 /nfs/dbraw/zinc/14/75/03/564147503.db2.gz TWZNFPYOLYQSLR-CYBMUJFWSA-N 0 0 331.485 5.117 50 0 EKAARN Cc1nnc([C@H](C)Nc2cccc(CSC3CCCCC3)c2)o1 ZINC000096408706 564147537 /nfs/dbraw/zinc/14/75/37/564147537.db2.gz TWZNFPYOLYQSLR-ZDUSSCGKSA-N 0 0 331.485 5.117 50 0 EKAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@@H](C)SC)c1 ZINC000096415969 564147765 /nfs/dbraw/zinc/14/77/65/564147765.db2.gz PIZLMXOYKOHRCT-KDOFPFPSSA-N 0 0 343.496 5.121 50 0 EKAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@@H](C)SC)c1 ZINC000096415970 218776869 /nfs/dbraw/zinc/77/68/69/218776869.db2.gz PIZLMXOYKOHRCT-RDTXWAMCSA-N 0 0 343.496 5.121 50 0 EKAARN CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@H](C)SC)c1 ZINC000096415971 564147764 /nfs/dbraw/zinc/14/77/64/564147764.db2.gz PIZLMXOYKOHRCT-KSSFIOAISA-N 0 0 343.496 5.121 50 0 EKAARN CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc([C@H](C)SC)c1 ZINC000096415972 218776964 /nfs/dbraw/zinc/77/69/64/218776964.db2.gz PIZLMXOYKOHRCT-KBXCAEBGSA-N 0 0 343.496 5.121 50 0 EKAARN Cc1nc(C(C)C)sc1[C@@H](C)NCc1coc(-c2ccccc2)n1 ZINC000096478636 563955045 /nfs/dbraw/zinc/95/50/45/563955045.db2.gz KWRLXGURLWCHQB-CYBMUJFWSA-N 0 0 341.480 5.081 50 0 EKAARN Cc1nc(C(C)C)sc1[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000096478638 563955007 /nfs/dbraw/zinc/95/50/07/563955007.db2.gz KWRLXGURLWCHQB-ZDUSSCGKSA-N 0 0 341.480 5.081 50 0 EKAARN O=C(OCc1ccc(F)cc1)/C(=C\c1cccs1)c1cccs1 ZINC000096480522 203892090 /nfs/dbraw/zinc/89/20/90/203892090.db2.gz YJDOMMRSDORJTR-WJDWOHSUSA-N 0 0 344.432 5.233 50 0 EKAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000096554683 563958069 /nfs/dbraw/zinc/95/80/69/563958069.db2.gz OBJFVUXOLSRCEP-QNGOZBTKSA-N 0 0 347.845 5.197 50 0 EKAARN Cc1ccccc1NC(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000096556953 563958057 /nfs/dbraw/zinc/95/80/57/563958057.db2.gz FFUFWENRWJYLNO-HKWRFOASSA-N 0 0 347.845 5.828 50 0 EKAARN Cc1ccsc1/C=C\C(=O)Nc1ccccc1SC(F)F ZINC000096585423 203894561 /nfs/dbraw/zinc/89/45/61/203894561.db2.gz ZJOGVSCWACCZMQ-SREVYHEPSA-N 0 0 325.405 5.023 50 0 EKAARN O=C(/C=C\c1ccc(Cl)cc1Cl)NC1CCCCCCC1 ZINC000096594383 564148868 /nfs/dbraw/zinc/14/88/68/564148868.db2.gz GWPFFJPKESDPQC-LUAWRHEFSA-N 0 0 326.267 5.236 50 0 EKAARN CCOc1ccc(Oc2ccc(NC(=O)/C=C\c3ccco3)cc2)cc1 ZINC000096602479 218884844 /nfs/dbraw/zinc/88/48/44/218884844.db2.gz BTWGDDCMRQZBOY-YPKPFQOOSA-N 0 0 349.386 5.123 50 0 EKAARN COc1cccc(/C=C\C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000096620053 218885956 /nfs/dbraw/zinc/88/59/56/218885956.db2.gz ZPPNVDXKJNQDSK-YPKPFQOOSA-N 0 0 345.398 5.139 50 0 EKAARN Oc1cccc2ccc(/C=C\c3cc(Br)ccc3F)nc12 ZINC000096765481 218889159 /nfs/dbraw/zinc/88/91/59/218889159.db2.gz RQJHZMUULCHYAY-YVMONPNESA-N 0 0 344.183 5.012 50 0 EKAARN COc1cccc(/C=C\c2nc3cc(Cl)ccc3s2)c1OC ZINC000096766108 218889631 /nfs/dbraw/zinc/88/96/31/218889631.db2.gz KZKWQQFDZXXXEQ-TWGQIWQCSA-N 0 0 331.824 5.137 50 0 EKAARN CSc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000096767131 218889547 /nfs/dbraw/zinc/88/95/47/218889547.db2.gz DMKQYPSCPSUNAU-ZROIWOOFSA-N 0 0 343.451 6.387 50 0 EKAARN COc1cccc(/C=C\c2nc3c(ccc4ccccc34)s2)c1OC ZINC000096767142 218889431 /nfs/dbraw/zinc/88/94/31/218889431.db2.gz KSPJRMZZRQLRHG-QBFSEMIESA-N 0 0 347.439 5.637 50 0 EKAARN COC(=O)c1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000096767150 218889512 /nfs/dbraw/zinc/88/95/12/218889512.db2.gz ANHKRUYKJZIZKU-JYRVWZFOSA-N 0 0 345.423 5.407 50 0 EKAARN Cc1cc(/C=C\c2nc3c(ccc4ccccc34)s2)cc(C)c1O ZINC000096767152 218889848 /nfs/dbraw/zinc/88/98/48/218889848.db2.gz PBFHVXWYUAYVER-YFHOEESVSA-N 0 0 331.440 5.942 50 0 EKAARN Cc1cc2nc(/C=C\c3ccc(OC(F)F)cc3)sc2cc1C ZINC000096767209 218889802 /nfs/dbraw/zinc/88/98/02/218889802.db2.gz GMLKJWHNJRCLJS-YVMONPNESA-N 0 0 331.387 5.685 50 0 EKAARN CCOc1cccc(/C=C\c2nc3cc(Cl)ccc3o2)c1OC ZINC000096792105 563962411 /nfs/dbraw/zinc/96/24/11/563962411.db2.gz AQOAMPMXPGTDML-YFHOEESVSA-N 0 0 329.783 5.059 50 0 EKAARN Cc1cccc(C)c1NC(=O)[C@@H](C)SC/C=C\c1ccccc1 ZINC000096809640 201378452 /nfs/dbraw/zinc/37/84/52/201378452.db2.gz ZUBBKESKUNQJHZ-KMGMULKOSA-N 0 0 325.477 5.077 50 0 EKAARN Cc1cccc(C)c1NC(=O)[C@H](C)SC/C=C\c1ccccc1 ZINC000096809641 563962532 /nfs/dbraw/zinc/96/25/32/563962532.db2.gz ZUBBKESKUNQJHZ-OLXGIWCBSA-N 0 0 325.477 5.077 50 0 EKAARN C(=C/c1cccc2cccc(/C=C\c3ccccc3)c12)\c1ccccc1 ZINC000096834871 218892762 /nfs/dbraw/zinc/89/27/62/218892762.db2.gz KJIBOKDTDPEIIZ-YAFCTCPESA-N 0 0 332.446 7.181 50 0 EKAARN Cc1ccc(/C=C\c2ccc(/C=C\c3ccc4ccccc4n3)cc2)cc1 ZINC000096835253 201378605 /nfs/dbraw/zinc/37/86/05/201378605.db2.gz HSUQZOFKLUFIIH-PWSVSTEKSA-N 0 0 347.461 6.884 50 0 EKAARN CSc1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1 ZINC000096920081 218899049 /nfs/dbraw/zinc/89/90/49/218899049.db2.gz PAIRBWDKDOJXIN-MDWZMJQESA-N 0 0 334.853 5.257 50 0 EKAARN COc1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1OC ZINC000096973265 218906959 /nfs/dbraw/zinc/90/69/59/218906959.db2.gz BDDKNNFZTZSJQA-FLIBITNWSA-N 0 0 325.795 5.076 50 0 EKAARN O=C1NC(=S)SC1=Cc1ccc(-c2ccccc2Cl)s1 ZINC000096991206 564086537 /nfs/dbraw/zinc/08/65/37/564086537.db2.gz WZQLLILBGTYAII-KPKJPENVSA-N 0 0 337.878 5.398 50 0 EKAARN C(=C\c1ccc(OCc2cscn2)cc1)\c1nc2ccccc2o1 ZINC000096991223 218909546 /nfs/dbraw/zinc/90/95/46/218909546.db2.gz SRUKOUFXVWODDD-YFHOEESVSA-N 0 0 334.400 5.034 50 0 EKAARN CCOc1ccc(/C=C\C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000096996593 218909932 /nfs/dbraw/zinc/90/99/32/218909932.db2.gz ANGNJOIPAQKFPM-SYCZXOQXSA-N 0 0 349.430 5.064 50 0 EKAARN Cc1sc2ncnc(Oc3ccc(Oc4ccccn4)cc3)c2c1C ZINC000096997714 563970930 /nfs/dbraw/zinc/97/09/30/563970930.db2.gz LTMIYFDZFALRBX-UHFFFAOYSA-N 0 0 349.415 5.288 50 0 EKAARN COc1cccc2cc(CNc3cccc(N4CCCCC4)c3)oc21 ZINC000096999330 563970982 /nfs/dbraw/zinc/97/09/82/563970982.db2.gz CNRBROASVVFBMH-UHFFFAOYSA-N 0 0 336.435 5.044 50 0 EKAARN CCc1ccccc1NC(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000097002891 218912858 /nfs/dbraw/zinc/91/28/58/218912858.db2.gz UNNGTROQRVMXOI-QXMHVHEDSA-N 0 0 336.822 5.103 50 0 EKAARN O=C(CCSC/C=C\c1ccccc1)Nc1ccc(Cl)cc1F ZINC000097011504 203904895 /nfs/dbraw/zinc/90/48/95/203904895.db2.gz UOEAEMGSBVGSOY-DAXSKMNVSA-N 0 0 349.858 5.254 50 0 EKAARN Cc1cccc([C@H](C)[S@@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000097014827 218914601 /nfs/dbraw/zinc/91/46/01/218914601.db2.gz GFVLRAOCKANJDM-YWTKSJFSSA-N 0 0 339.460 5.221 50 0 EKAARN Cc1cccc([C@H](C)[S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000097014832 563966666 /nfs/dbraw/zinc/96/66/66/563966666.db2.gz GFVLRAOCKANJDM-CCHLGUQTSA-N 0 0 339.460 5.221 50 0 EKAARN O=C(/C=C\c1cccc2ccccc12)N(Cc1cccs1)C1CC1 ZINC000097026443 218918837 /nfs/dbraw/zinc/91/88/37/218918837.db2.gz VRGOJODLFRZZBR-RAXLEYEMSA-N 0 0 333.456 5.106 50 0 EKAARN Cc1ncccc1CNc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000097032000 563971144 /nfs/dbraw/zinc/97/11/44/563971144.db2.gz LGOCWOWEMQTXRQ-UHFFFAOYSA-N 0 0 349.400 5.011 50 0 EKAARN c1ccc([C@H](Nc2cccc(N3CCCCC3)c2)c2ccccn2)cc1 ZINC000097048905 563967025 /nfs/dbraw/zinc/96/70/25/563967025.db2.gz GIGZJZWQAPUWAF-QHCPKHFHSA-N 0 0 343.474 5.273 50 0 EKAARN c1ccc([C@@H](Nc2cccc(N3CCCCC3)c2)c2ccccn2)cc1 ZINC000097048906 563967066 /nfs/dbraw/zinc/96/70/66/563967066.db2.gz GIGZJZWQAPUWAF-HSZRJFAPSA-N 0 0 343.474 5.273 50 0 EKAARN CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1C(F)(F)F ZINC000097102339 563967733 /nfs/dbraw/zinc/96/77/33/563967733.db2.gz GWAMIGWSIXSBOA-UHFFFAOYSA-N 0 0 335.369 5.146 50 0 EKAARN CCCCCC[C@]1(C)Nc2ccccc2-c2nc(-c3ccccc3)nn21 ZINC000097105486 517553997 /nfs/dbraw/zinc/55/39/97/517553997.db2.gz RCUUSBFWKWPCNH-JOCHJYFZSA-N 0 0 346.478 5.681 50 0 EKAARN CCCCCC[C@@]1(C)Nc2ccccc2-c2nc(-c3ccccc3)nn21 ZINC000097105488 218956088 /nfs/dbraw/zinc/95/60/88/218956088.db2.gz RCUUSBFWKWPCNH-QFIPXVFZSA-N 0 0 346.478 5.681 50 0 EKAARN C[C@@H]1CCCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C1 ZINC000097105904 563967650 /nfs/dbraw/zinc/96/76/50/563967650.db2.gz KXUSOWYMERZXOF-CQSZACIVSA-N 0 0 337.854 5.187 50 0 EKAARN C[C@H]1CCCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C1 ZINC000097105905 563967668 /nfs/dbraw/zinc/96/76/68/563967668.db2.gz KXUSOWYMERZXOF-AWEZNQCLSA-N 0 0 337.854 5.187 50 0 EKAARN COc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000097105912 563967687 /nfs/dbraw/zinc/96/76/87/563967687.db2.gz VRAMTCIBBTUSCD-UHFFFAOYSA-N 0 0 345.829 6.231 50 0 EKAARN Cc1noc(C2CC2)c1NC(=O)Nc1ccccc1SC(C)C ZINC000097162328 563968451 /nfs/dbraw/zinc/96/84/51/563968451.db2.gz QXVSLXAKLZXGSO-UHFFFAOYSA-N 0 0 331.441 5.005 50 0 EKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1noc2c1CCCCC2 ZINC000097165951 218982062 /nfs/dbraw/zinc/98/20/62/218982062.db2.gz BBTUHGTZBBUSGO-UHFFFAOYSA-N 0 0 340.467 5.443 50 0 EKAARN CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000097166048 563968558 /nfs/dbraw/zinc/96/85/58/563968558.db2.gz KNJYSJIBADNVFL-UHFFFAOYSA-N 0 0 347.871 5.245 50 0 EKAARN O=[S@](Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)c(F)c1 ZINC000097175267 563970437 /nfs/dbraw/zinc/97/04/37/563970437.db2.gz XHFYCOTVFUKDSM-DEOSSOPVSA-N 0 0 342.410 5.081 50 0 EKAARN O=[S@@](Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)c(F)c1 ZINC000097175268 218983045 /nfs/dbraw/zinc/98/30/45/218983045.db2.gz XHFYCOTVFUKDSM-XMMPIXPASA-N 0 0 342.410 5.081 50 0 EKAARN C(=C\c1cc(-c2ccccc2)nc(-c2ccccc2)n1)\c1ccccc1 ZINC000097340942 219013594 /nfs/dbraw/zinc/01/35/94/219013594.db2.gz PVIBPLCGUBSPDX-MSUUIHNZSA-N 0 0 334.422 5.981 50 0 EKAARN O=C(Nc1c(F)cccc1Cl)c1ccc(-c2cccs2)cc1F ZINC000097373144 219017000 /nfs/dbraw/zinc/01/70/00/219017000.db2.gz PHEGOXFDOKCNCV-UHFFFAOYSA-N 0 0 349.789 5.599 50 0 EKAARN COc1ccc(CCCCCC(=O)Nc2c(F)cccc2Cl)cc1 ZINC000097373145 219017118 /nfs/dbraw/zinc/01/71/18/219017118.db2.gz FPAIARUQPJAGOO-UHFFFAOYSA-N 0 0 349.833 5.229 50 0 EKAARN ClC(Cl)(/C=C\c1ccc(Br)cc1)c1ccccc1 ZINC000097400625 219021821 /nfs/dbraw/zinc/02/18/21/219021821.db2.gz GJSIGFOLMRNUIL-KHPPLWFESA-N 0 0 342.063 5.793 50 0 EKAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000097402355 219022032 /nfs/dbraw/zinc/02/20/32/219022032.db2.gz OGULHYNXUFGCJG-QGZVFWFLSA-N 0 0 337.419 5.400 50 0 EKAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000097402356 219022205 /nfs/dbraw/zinc/02/22/05/219022205.db2.gz OGULHYNXUFGCJG-KRWDZBQOSA-N 0 0 337.419 5.400 50 0 EKAARN Clc1ccccc1/C=C\c1nc2ccccc2nc1N1CCCCC1 ZINC000097464719 219026516 /nfs/dbraw/zinc/02/65/16/219026516.db2.gz AJIGIOABPKGVAZ-SEYXRHQNSA-N 0 0 349.865 5.444 50 0 EKAARN COc1ccc(CNc2ccccc2SCC(F)(F)F)cc1F ZINC000097464979 219026373 /nfs/dbraw/zinc/02/63/73/219026373.db2.gz FYMYCROQLFJMEL-UHFFFAOYSA-N 0 0 345.361 5.101 50 0 EKAARN O=C(/C=C\c1ccccc1)Oc1ccc(Sc2ccc(O)cc2)cc1 ZINC000097472351 219027378 /nfs/dbraw/zinc/02/73/78/219027378.db2.gz GFGIKAASWLUSSZ-UUASQNMZSA-N 0 0 348.423 5.162 50 0 EKAARN O=C(Nc1ccccc1)/C(=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000097676055 219046770 /nfs/dbraw/zinc/04/67/70/219046770.db2.gz BIABPIGZTDECOL-HKWRFOASSA-N 0 0 333.818 5.519 50 0 EKAARN Clc1cc(Cl)cc(NN=Nc2ccc(Br)cc2)c1 ZINC000097729752 564051184 /nfs/dbraw/zinc/05/11/84/564051184.db2.gz LVKGFPGOVNJARU-UHFFFAOYSA-N 0 0 345.027 5.867 50 0 EKAARN FC(F)(F)c1cccc(OCc2ccccc2)c1Br ZINC000097756658 219054757 /nfs/dbraw/zinc/05/47/57/219054757.db2.gz DWYMDVVSJQOADL-UHFFFAOYSA-N 0 0 331.131 5.047 50 0 EKAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 ZINC000097757280 219054777 /nfs/dbraw/zinc/05/47/77/219054777.db2.gz RIYVMLDXRRIETQ-UHFFFAOYSA-N 0 0 349.135 5.466 50 0 EKAARN O=C(NCC1CCCCC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000097944851 563956573 /nfs/dbraw/zinc/95/65/73/563956573.db2.gz WABWZRJVACGQKM-UHFFFAOYSA-N 0 0 330.497 5.128 50 0 EKAARN Cc1nc(/C=C\C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000098002493 219067189 /nfs/dbraw/zinc/06/71/89/219067189.db2.gz TVKWYEWMBOZPKD-LLNWESEBSA-N 0 0 348.471 5.009 50 0 EKAARN Cc1nc(/C=C\C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cs1 ZINC000098002494 203977063 /nfs/dbraw/zinc/97/70/63/203977063.db2.gz TVKWYEWMBOZPKD-WIDZWVOGSA-N 0 0 348.471 5.009 50 0 EKAARN C(=C\c1ccccc1OCc1cccnc1)\c1nc2ccccc2s1 ZINC000098008571 219067847 /nfs/dbraw/zinc/06/78/47/219067847.db2.gz SOLPIJFPXXNACH-QXMHVHEDSA-N 0 0 344.439 5.441 50 0 EKAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1csc(-c2cccs2)n1 ZINC000098009436 564016881 /nfs/dbraw/zinc/01/68/81/564016881.db2.gz YMIXUYSIKHRCEU-KPKJPENVSA-N 0 0 344.848 5.018 50 0 EKAARN CN(Cc1cccs1)C(=O)/C=C\c1ccc(-c2ccccc2)s1 ZINC000098042491 219073360 /nfs/dbraw/zinc/07/33/60/219073360.db2.gz SARPYYIWKFTBAE-BENRWUELSA-N 0 0 339.485 5.148 50 0 EKAARN CCOC(=O)c1sc(-c2ccc(CC)cc2)nc1-c1ccccc1 ZINC000098071527 219077288 /nfs/dbraw/zinc/07/72/88/219077288.db2.gz DSGGEDNDJBVDNV-UHFFFAOYSA-N 0 0 337.444 5.216 50 0 EKAARN CCCc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1 ZINC000098071558 219077329 /nfs/dbraw/zinc/07/73/29/219077329.db2.gz WQGMAFRSIHBDRV-UHFFFAOYSA-N 0 0 326.568 7.519 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1Cl ZINC000098071608 219077675 /nfs/dbraw/zinc/07/76/75/219077675.db2.gz YEPNREFOKFLQCG-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN Oc1ccc(-c2csc(-c3cc(-c4ccccc4)ccn3)n2)cc1 ZINC000098071614 219077954 /nfs/dbraw/zinc/07/79/54/219077954.db2.gz WUVWQBLFCJPOME-UHFFFAOYSA-N 0 0 330.412 5.245 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000098071659 219077516 /nfs/dbraw/zinc/07/75/16/219077516.db2.gz LNXYPRRIOZYXNH-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098072783 219078592 /nfs/dbraw/zinc/07/85/92/219078592.db2.gz PWXUJNVIZDMFCH-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1Cl ZINC000098072787 219078926 /nfs/dbraw/zinc/07/89/26/219078926.db2.gz VNVDBORHQNUADB-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl ZINC000098072794 219078879 /nfs/dbraw/zinc/07/88/79/219078879.db2.gz QOAYXUPCEFCJME-UHFFFAOYSA-N 0 0 349.139 5.656 50 0 EKAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098072798 203982241 /nfs/dbraw/zinc/98/22/41/203982241.db2.gz GACLMDQGYVEWOU-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1cc(Cl)ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098072801 219078617 /nfs/dbraw/zinc/07/86/17/219078617.db2.gz ALIXHJHWADHPJA-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000098072816 563982218 /nfs/dbraw/zinc/98/22/18/563982218.db2.gz AVMRCLYYTVPSID-UHFFFAOYSA-N 0 0 328.721 5.311 50 0 EKAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1F ZINC000098072821 219078330 /nfs/dbraw/zinc/07/83/30/219078330.db2.gz DFWCAVCRAWIJBU-UHFFFAOYSA-N 0 0 332.684 5.142 50 0 EKAARN Cc1ccc(-c2nc(-c3ccccc3)c(Br)s2)cc1 ZINC000098073107 219078396 /nfs/dbraw/zinc/07/83/96/219078396.db2.gz KHLSLQBSBGUTIR-UHFFFAOYSA-N 0 0 330.250 5.548 50 0 EKAARN CC(C)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000098073350 219078452 /nfs/dbraw/zinc/07/84/52/219078452.db2.gz XVVTVCFFXRRJCI-UHFFFAOYSA-N 0 0 329.443 5.581 50 0 EKAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl ZINC000098073361 219078941 /nfs/dbraw/zinc/07/89/41/219078941.db2.gz PNILMBXPFIJSIA-UHFFFAOYSA-N 0 0 335.834 5.419 50 0 EKAARN CC(C)C1=C(C(C2=C(C(C)C)C=CC2)C2=C(C(C)C)C=CC2)CC=C1 ZINC000098074330 219078400 /nfs/dbraw/zinc/07/84/00/219078400.db2.gz FGWISCDHKUCWBD-UHFFFAOYSA-N 0 0 334.547 7.340 50 0 EKAARN O=C(CCNc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000098086603 219082380 /nfs/dbraw/zinc/08/23/80/219082380.db2.gz JJWQAVVVSHXNRI-UHFFFAOYSA-N 0 0 340.426 5.434 50 0 EKAARN CCOc1ccc(/C=C2\c3ccccc3N(CC)C2=O)c2ccccc12 ZINC000098086817 563974760 /nfs/dbraw/zinc/97/47/60/563974760.db2.gz YYKIXYKVTTWRGP-HMMYKYKNSA-N 0 0 343.426 5.146 50 0 EKAARN CCc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)cc1 ZINC000098086869 219082210 /nfs/dbraw/zinc/08/22/10/219082210.db2.gz MMQYBPQLFVVDSL-UHFFFAOYSA-N 0 0 342.398 5.310 50 0 EKAARN Cc1cc(NC(=O)c2ccccc2)cc2nc(-c3ccc(F)cc3)oc21 ZINC000098086962 219082168 /nfs/dbraw/zinc/08/21/68/219082168.db2.gz UHGSRVARTFDOOV-UHFFFAOYSA-N 0 0 346.361 5.195 50 0 EKAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000098086972 563982223 /nfs/dbraw/zinc/98/22/23/563982223.db2.gz HLTRCTOQJUTUOF-UHFFFAOYSA-N 0 0 344.842 5.029 50 0 EKAARN S=C(c1cccc(OCc2cccc3ccccc32)c1)N1CCCC1 ZINC000098087077 219082312 /nfs/dbraw/zinc/08/23/12/219082312.db2.gz PYUZTJJLYGQGMJ-UHFFFAOYSA-N 0 0 347.483 5.190 50 0 EKAARN c1cc2n(c1)-c1ccccc1COC2(c1ccccc1)c1ccccc1 ZINC000098174895 219086279 /nfs/dbraw/zinc/08/62/79/219086279.db2.gz JXCDEPIXWCPPNL-UHFFFAOYSA-N 0 0 337.422 5.299 50 0 EKAARN Clc1c(Cl)c(Br)cc(Br)c1Cl ZINC000098175168 219086397 /nfs/dbraw/zinc/08/63/97/219086397.db2.gz MMJUABSMDXVNPI-UHFFFAOYSA-N 0 0 339.241 5.172 50 0 EKAARN COc1ccc(CCc2ncc(-c3ccc(Cl)cc3)s2)cc1 ZINC000098212463 219087731 /nfs/dbraw/zinc/08/77/31/219087731.db2.gz PJIQOAUTORKJRN-UHFFFAOYSA-N 0 0 329.852 5.257 50 0 EKAARN CCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000100003097 219088159 /nfs/dbraw/zinc/08/81/59/219088159.db2.gz FEWMLRARKGRCCE-RYTJFDOTSA-N 0 0 338.457 6.984 50 0 EKAARN CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(F)cc3)CC2)CC1 ZINC000100003193 219087894 /nfs/dbraw/zinc/08/78/94/219087894.db2.gz LIALNGUAWCANCX-QGFMHUBQSA-N 0 0 346.486 6.144 50 0 EKAARN CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000100003289 219088512 /nfs/dbraw/zinc/08/85/12/219088512.db2.gz YDVUSMRUBCJGAV-FGYAAKKASA-N 0 0 348.521 7.625 50 0 EKAARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)cc2)CC1 ZINC000100003443 219087912 /nfs/dbraw/zinc/08/79/12/219087912.db2.gz JOLGXBQYTARJLD-DKXQDJALSA-N 0 0 334.547 7.770 50 0 EKAARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000100003477 219088438 /nfs/dbraw/zinc/08/84/38/219088438.db2.gz NQLHGECGZRJQLF-HDICACEKSA-N 0 0 342.473 7.486 50 0 EKAARN CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000100003579 563982271 /nfs/dbraw/zinc/98/22/71/563982271.db2.gz NZXZINXFUSKTPH-QGFMHUBQSA-N 0 0 334.494 7.235 50 0 EKAARN CCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000100003725 563982257 /nfs/dbraw/zinc/98/22/57/563982257.db2.gz RRKRBRVTKIRLHH-GASCZTMLSA-N 0 0 332.409 6.845 50 0 EKAARN CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(OCCC)cc2)CC1 ZINC000100003737 219088170 /nfs/dbraw/zinc/08/81/70/219088170.db2.gz ZAUPPIHFDVKVJM-HDICACEKSA-N 0 0 332.484 5.768 50 0 EKAARN CCCCc1ccc(-c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 ZINC000100003738 219088436 /nfs/dbraw/zinc/08/84/36/219088436.db2.gz ZLVZCFBYGPRQQQ-QUPDYRNUSA-N 0 0 348.574 8.160 50 0 EKAARN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 ZINC000100003862 219088533 /nfs/dbraw/zinc/08/85/33/219088533.db2.gz KAMYBEKPILURLI-CALCHBBNSA-N 0 0 340.438 6.119 50 0 EKAARN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1 ZINC000100003910 219087976 /nfs/dbraw/zinc/08/79/76/219087976.db2.gz LPRUNJSIQXHMQG-KDURUIRLSA-N 0 0 336.475 6.288 50 0 EKAARN CCCCCc1ccc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 ZINC000100003917 563982267 /nfs/dbraw/zinc/98/22/67/563982267.db2.gz PBPUQRRUUZVBDJ-GRGXKFILSA-N 0 0 334.547 7.770 50 0 EKAARN c1s/c(=N/Cc2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000100058721 219090281 /nfs/dbraw/zinc/09/02/81/219090281.db2.gz UAXUVQPKUIOEFF-GHVJWSGMSA-N 0 0 342.467 5.307 50 0 EKAARN Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C/c1ccc(Cl)c(Cl)c1 ZINC000100060273 219090270 /nfs/dbraw/zinc/09/02/70/219090270.db2.gz DOFZPOGIYUVLDR-WUXMJOGZSA-N 0 0 338.215 5.028 50 0 EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccco3)C12 ZINC000100089089 219090702 /nfs/dbraw/zinc/09/07/02/219090702.db2.gz QDONBTCJCBGXAN-HXUWFJFHSA-N 0 0 331.396 5.530 50 0 aggregator EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccco3)C12 ZINC000100089092 563982350 /nfs/dbraw/zinc/98/23/50/563982350.db2.gz QDONBTCJCBGXAN-FQEVSTJZSA-N 0 0 331.396 5.530 50 0 aggregator EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccs3)C12 ZINC000100089097 563982347 /nfs/dbraw/zinc/98/23/47/563982347.db2.gz ALQRLVIRRMBLPI-HXUWFJFHSA-N 0 0 347.464 5.999 50 0 EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccs3)C12 ZINC000100089098 219090578 /nfs/dbraw/zinc/09/05/78/219090578.db2.gz ALQRLVIRRMBLPI-FQEVSTJZSA-N 0 0 347.464 5.999 50 0 EKAARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000100141963 563982372 /nfs/dbraw/zinc/98/23/72/563982372.db2.gz BPKFDDLJLHPGJY-LRTDBIEQSA-N 0 0 346.386 5.502 50 0 EKAARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000100141964 219092655 /nfs/dbraw/zinc/09/26/55/219092655.db2.gz BPKFDDLJLHPGJY-ASSNKEHSSA-N 0 0 346.386 5.502 50 0 EKAARN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2 ZINC000100141966 219092684 /nfs/dbraw/zinc/09/26/84/219092684.db2.gz BPKFDDLJLHPGJY-YEJXKQKISA-N 0 0 346.386 5.502 50 0 EKAARN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccco1)Nc1ccccc1N2 ZINC000100141968 219092623 /nfs/dbraw/zinc/09/26/23/219092623.db2.gz BPKFDDLJLHPGJY-ZSEKCTLFSA-N 0 0 346.386 5.502 50 0 EKAARN CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1cccc(C)c1C ZINC000100202187 219093942 /nfs/dbraw/zinc/09/39/42/219093942.db2.gz XTPAZRMNSUKYIE-XUTLUUPISA-N 0 0 342.895 5.739 50 0 EKAARN CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(C)cc1 ZINC000100202199 219094025 /nfs/dbraw/zinc/09/40/25/219094025.db2.gz CCWWJOFXZBVECC-CZIZESTLSA-N 0 0 328.868 5.431 50 0 EKAARN Cc1cc(C)c(C)c2occ([C@H]3Oc4c(c(C)cc(C)c4C)C3=O)c21 ZINC000100217074 219094936 /nfs/dbraw/zinc/09/49/36/219094936.db2.gz WZWKYDQACJPZER-JOCHJYFZSA-N 0 0 334.415 5.600 50 0 EKAARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O ZINC000100223540 219094645 /nfs/dbraw/zinc/09/46/45/219094645.db2.gz GVVMEVSFLBMIMJ-UHFFFAOYSA-N 0 0 342.398 5.125 50 0 EKAARN Cc1ccc(-n2c(C(C)(C)C)cs/c2=N/c2ccccn2)cc1C ZINC000100252029 563982470 /nfs/dbraw/zinc/98/24/70/563982470.db2.gz AKPHUHPVKXHJLH-ZBJSNUHESA-N 0 0 337.492 5.081 50 0 EKAARN Fc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000100261953 563992045 /nfs/dbraw/zinc/99/20/45/563992045.db2.gz OJMNBSDGCRUWDI-LNVKXUELSA-N 0 0 346.430 5.577 50 0 EKAARN c1coc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)c1 ZINC000100306258 219096944 /nfs/dbraw/zinc/09/69/44/219096944.db2.gz XWPYBTBJWJOOAF-MRCUWXFGSA-N 0 0 332.428 5.090 50 0 EKAARN c1csc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c1 ZINC000100313210 203992886 /nfs/dbraw/zinc/99/28/86/203992886.db2.gz JEVDVDVTJQNQLW-VXPUYCOJSA-N 0 0 334.469 5.500 50 0 EKAARN CCCOc1ccc(N[P@](C)(=O)Oc2cc(C)cc(C)c2)cc1 ZINC000100315578 219096887 /nfs/dbraw/zinc/09/68/87/219096887.db2.gz DLGVLWOIPBEZRC-HSZRJFAPSA-N 0 0 333.368 5.406 50 0 EKAARN FC(F)(F)c1cnc(C=CNc2cccc(Cl)c2)c(Cl)c1 ZINC000100324228 219096524 /nfs/dbraw/zinc/09/65/24/219096524.db2.gz FQHBXEASGPJMMU-SNAWJCMRSA-N 0 0 333.140 5.490 50 0 EKAARN FC(F)(F)c1cnc(C=CNc2ccccc2Cl)c(Cl)c1 ZINC000100324231 563992193 /nfs/dbraw/zinc/99/21/93/563992193.db2.gz FLLYKGWESXKWTJ-AATRIKPKSA-N 0 0 333.140 5.490 50 0 EKAARN O=C(C=CNc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000100334822 219096465 /nfs/dbraw/zinc/09/64/65/219096465.db2.gz WFBIWGBHWXVHHS-BQYQJAHWSA-N 0 0 341.625 5.211 50 0 EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3)C12 ZINC000100369154 219097476 /nfs/dbraw/zinc/09/74/76/219097476.db2.gz JCQXDZORMHGERU-JOCHJYFZSA-N 0 0 341.435 5.937 50 0 EKAARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3)C12 ZINC000100369160 563982577 /nfs/dbraw/zinc/98/25/77/563982577.db2.gz JCQXDZORMHGERU-QFIPXVFZSA-N 0 0 341.435 5.937 50 0 EKAARN FC(F)(F)c1cnc(C=CNc2ccc(Cl)cc2)c(Cl)c1 ZINC000100408341 203993663 /nfs/dbraw/zinc/99/36/63/203993663.db2.gz HQPCQMXQBCXICW-AATRIKPKSA-N 0 0 333.140 5.490 50 0 EKAARN O=C1OC(=CNc2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000100438654 219098874 /nfs/dbraw/zinc/09/88/74/219098874.db2.gz FKDRBDCNSHTDTO-ZHZULCJRSA-N 0 0 329.355 5.060 50 0 aggregator EKAARN O=C1SC(=CNc2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000100438944 563992383 /nfs/dbraw/zinc/99/23/83/563992383.db2.gz ISVZKPJIJRWDDJ-ZHZULCJRSA-N 0 0 345.423 5.776 50 0 EKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C2)cc1 ZINC000100494258 219100734 /nfs/dbraw/zinc/10/07/34/219100734.db2.gz GDSIEEOERMPDBL-JOCHJYFZSA-N 0 0 337.426 5.401 50 0 EKAARN Cc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C2)cc1 ZINC000100494263 219100740 /nfs/dbraw/zinc/10/07/40/219100740.db2.gz GDSIEEOERMPDBL-QFIPXVFZSA-N 0 0 337.426 5.401 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(F)c1 ZINC000100629099 219102740 /nfs/dbraw/zinc/10/27/40/219102740.db2.gz XAAORBCETOGSQW-FQEVSTJZSA-N 0 0 336.410 5.697 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(F)c1 ZINC000100629103 563982679 /nfs/dbraw/zinc/98/26/79/563982679.db2.gz XAAORBCETOGSQW-HXUWFJFHSA-N 0 0 336.410 5.697 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(F)cc1 ZINC000100629415 203997026 /nfs/dbraw/zinc/99/70/26/203997026.db2.gz SJHCFPJVXJBCDQ-FQEVSTJZSA-N 0 0 336.410 5.697 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 ZINC000100629418 219102412 /nfs/dbraw/zinc/10/24/12/219102412.db2.gz SJHCFPJVXJBCDQ-HXUWFJFHSA-N 0 0 336.410 5.697 50 0 EKAARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000100629484 563994359 /nfs/dbraw/zinc/99/43/59/563994359.db2.gz TXYPIKAHPVRXEF-NRFANRHFSA-N 0 0 348.446 5.567 50 0 EKAARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000100629486 219102492 /nfs/dbraw/zinc/10/24/92/219102492.db2.gz TXYPIKAHPVRXEF-OAQYLSRUSA-N 0 0 348.446 5.567 50 0 EKAARN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000100629909 219102616 /nfs/dbraw/zinc/10/26/16/219102616.db2.gz VHDDGXKVTALFTA-NRFANRHFSA-N 0 0 348.446 5.567 50 0 EKAARN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000100629911 563994345 /nfs/dbraw/zinc/99/43/45/563994345.db2.gz VHDDGXKVTALFTA-OAQYLSRUSA-N 0 0 348.446 5.567 50 0 EKAARN COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1 ZINC000100632953 563994420 /nfs/dbraw/zinc/99/44/20/563994420.db2.gz GJCTUHLOHFXGAP-UHFFFAOYSA-N 0 0 342.398 5.046 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1F ZINC000100640323 219103312 /nfs/dbraw/zinc/10/33/12/219103312.db2.gz QFJJOWARYZQXOV-FQEVSTJZSA-N 0 0 336.410 5.697 50 0 EKAARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1F ZINC000100640324 219103464 /nfs/dbraw/zinc/10/34/64/219103464.db2.gz QFJJOWARYZQXOV-HXUWFJFHSA-N 0 0 336.410 5.697 50 0 EKAARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100654200 219103165 /nfs/dbraw/zinc/10/31/65/219103165.db2.gz YGLWROSZTNRXEA-OAQYLSRUSA-N 0 0 348.446 5.567 50 0 EKAARN COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@H]23)c1 ZINC000100684679 564129486 /nfs/dbraw/zinc/12/94/86/564129486.db2.gz YNTBOVIYSGWPEU-LMDOGRNLSA-N 0 0 342.523 6.045 50 0 EKAARN CC(C)Cn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000100685577 219104580 /nfs/dbraw/zinc/10/45/80/219104580.db2.gz XDPRDOSWJRRMRX-UHFFFAOYSA-N 0 0 343.430 5.099 50 0 EKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C2)cc1 ZINC000100687855 563994829 /nfs/dbraw/zinc/99/48/29/563994829.db2.gz DMXPWOFMUHNOQE-NRFANRHFSA-N 0 0 341.389 5.231 50 0 EKAARN Fc1ccc(C2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C2)cc1 ZINC000100687858 219104560 /nfs/dbraw/zinc/10/45/60/219104560.db2.gz DMXPWOFMUHNOQE-OAQYLSRUSA-N 0 0 341.389 5.231 50 0 EKAARN COc1ccc(-c2c/c(=N\c3ccc(C)cc3)c3ccccc3o2)cc1 ZINC000100700887 219104497 /nfs/dbraw/zinc/10/44/97/219104497.db2.gz RWPZJKDDHBHZAB-DARPEHSRSA-N 0 0 341.410 5.649 50 0 EKAARN C/C(=C\CC[C@H](C)O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000100743099 206254819 /nfs/dbraw/zinc/25/48/19/206254819.db2.gz OMRDSKNXJYXBEL-ZOBOULBWSA-N 0 0 332.572 6.673 50 0 EKAARN CCCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000100753802 219105624 /nfs/dbraw/zinc/10/56/24/219105624.db2.gz JBVXLGQYXOFCBD-UHFFFAOYSA-N 0 0 343.430 5.243 50 0 EKAARN CCc1cc2c(cc1OC)oc(C)c(-c1cc3ccccc3o1)/c2=N\O ZINC000100768886 219106029 /nfs/dbraw/zinc/10/60/29/219106029.db2.gz ILZZJRRVENDLFB-DQRAZIAOSA-N 0 0 349.386 5.015 50 0 EKAARN Cc1ccc(Cl)c(O[P@](C)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000100808267 219107562 /nfs/dbraw/zinc/10/75/62/219107562.db2.gz MLRZWQZVSAVAON-NRFANRHFSA-N 0 0 344.178 5.924 50 0 EKAARN Cc1s/c(=N/c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000100812558 219108180 /nfs/dbraw/zinc/10/81/80/219108180.db2.gz DDVTXHVVPAVDGQ-GHVJWSGMSA-N 0 0 342.467 5.747 50 0 EKAARN O=C(C/C=C/c1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000100866743 219110468 /nfs/dbraw/zinc/11/04/68/219110468.db2.gz OIQGWEFHIGLSJE-OWOJBTEDSA-N 0 0 337.163 5.014 50 0 EKAARN CC(C)[C@H](c1ccccc1)N(O[C@H](C)c1ccccc1)C(C)(C)C ZINC000100995931 564129470 /nfs/dbraw/zinc/12/94/70/564129470.db2.gz FPFRTDOMIFBPBZ-WIYYLYMNSA-N 0 0 325.496 6.177 50 0 EKAARN CCOc1ccccc1C[C@@H]1c2ccccc2N(c2ccccc2)C1=O ZINC000101013902 219113362 /nfs/dbraw/zinc/11/33/62/219113362.db2.gz LHRFKSCHVPGGPE-HXUWFJFHSA-N 0 0 343.426 5.090 50 0 EKAARN CCOc1ccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000101014085 204001153 /nfs/dbraw/zinc/00/11/53/204001153.db2.gz SLUOWGIHNGGCNY-NRFANRHFSA-N 0 0 343.426 5.090 50 0 EKAARN CCOc1cccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000101014670 219113454 /nfs/dbraw/zinc/11/34/54/219113454.db2.gz YHVBPWDIKMYBAV-NRFANRHFSA-N 0 0 343.426 5.090 50 0 EKAARN COc1ccc(C[C@@H]2c3ccccc3N(c3ccccc3)C2=O)cc1C ZINC000101014926 219113582 /nfs/dbraw/zinc/11/35/82/219113582.db2.gz WARQQVVEHNJUPJ-HXUWFJFHSA-N 0 0 343.426 5.008 50 0 EKAARN Cc1ccc2c(c1)[C@H](Cc1cccc(Oc3ccccc3)c1)C(=O)N2 ZINC000101016274 219113914 /nfs/dbraw/zinc/11/39/14/219113914.db2.gz PEMUSUOBCHVWEP-FQEVSTJZSA-N 0 0 329.399 5.066 50 0 EKAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000101016373 219113741 /nfs/dbraw/zinc/11/37/41/219113741.db2.gz JCHMVWGJIVBEQR-MRXNPFEDSA-N 0 0 337.806 5.187 50 0 EKAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1cccc(Oc2ccccc2)c1 ZINC000101016545 219114742 /nfs/dbraw/zinc/11/47/42/219114742.db2.gz BXXHSDXYZDXCJH-HXUWFJFHSA-N 0 0 329.399 5.066 50 0 EKAARN c1cc2c3c(cccc3c1)[C@@H]1C[C@@H]3c4cccc5cccc(c45)[C@H]3C[C@@H]21 ZINC000101020226 219114276 /nfs/dbraw/zinc/11/42/76/219114276.db2.gz UFWHXJPHNAASJP-SWIJEOLNSA-N 0 0 332.446 6.849 50 0 EKAARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C\C=C\c1ccccc1 ZINC000101037542 204000910 /nfs/dbraw/zinc/00/09/10/204000910.db2.gz SBUXCRPLMVVLIX-MAZMYOQMSA-N 0 0 327.471 6.124 50 0 EKAARN Cc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000101214347 219119933 /nfs/dbraw/zinc/11/99/33/219119933.db2.gz KEIWTLBGRWSELQ-IRLDBZIGSA-N 0 0 339.442 5.491 50 0 EKAARN Cc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000101214351 204002120 /nfs/dbraw/zinc/00/21/20/204002120.db2.gz KEIWTLBGRWSELQ-IFMALSPDSA-N 0 0 339.442 5.491 50 0 EKAARN Cc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc3ccccc3n21 ZINC000101214354 204002681 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Fc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101225624 204002578 /nfs/dbraw/zinc/00/25/78/204002578.db2.gz SFAZWHJCZNRSHN-PZJWPPBQSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101225626 204001904 /nfs/dbraw/zinc/00/19/04/204001904.db2.gz SFAZWHJCZNRSHN-TZIWHRDSSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101225629 219119939 /nfs/dbraw/zinc/11/99/39/219119939.db2.gz SFAZWHJCZNRSHN-FPOVZHCZSA-N 0 0 343.405 5.322 50 0 EKAARN Fc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 ZINC000101225632 219119613 /nfs/dbraw/zinc/11/96/13/219119613.db2.gz SFAZWHJCZNRSHN-CTNGQTDRSA-N 0 0 343.405 5.322 50 0 EKAARN COc1ccc(-c2c/c(=N\c3ccccc3)c3cc(C)ccc3o2)cc1 ZINC000101268580 219120789 /nfs/dbraw/zinc/12/07/89/219120789.db2.gz LTNFGBDLIDIUFI-DARPEHSRSA-N 0 0 341.410 5.649 50 0 EKAARN COc1ccc(-c2c/c(=N\C3CCCCC3)c3cc(C)ccc3o2)cc1 ZINC000101268589 219120341 /nfs/dbraw/zinc/12/03/41/219120341.db2.gz 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Cc1ccc(-c2nc(C)c(C(=O)Nc3c(C)cccc3Cl)s2)o1 ZINC000174427480 534210687 /nfs/dbraw/zinc/21/06/87/534210687.db2.gz KIWTWSHSFVYMJI-UHFFFAOYSA-N 0 0 346.839 5.234 50 0 EKAARN O=C(Nc1ncccc1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000179467279 564002001 /nfs/dbraw/zinc/00/20/01/564002001.db2.gz BJFDVFLHYKYHGC-UHFFFAOYSA-N 0 0 342.320 5.020 50 0 EKAARN Cc1ccccc1-c1nnc(CN[C@@H](C)c2cc3ccccc3s2)o1 ZINC000184382988 235383209 /nfs/dbraw/zinc/38/32/09/235383209.db2.gz YOCIRBFVAACMJI-AWEZNQCLSA-N 0 0 349.459 5.111 50 0 EKAARN Cc1ccccc1-c1nnc(CN[C@H](C)c2cc3ccccc3s2)o1 ZINC000184383009 235382871 /nfs/dbraw/zinc/38/28/71/235382871.db2.gz YOCIRBFVAACMJI-CQSZACIVSA-N 0 0 349.459 5.111 50 0 EKAARN Cc1nc([C@H]2CCCN2C(=O)Nc2c(C)cccc2C(C)C)cs1 ZINC000188347934 564002121 /nfs/dbraw/zinc/00/21/21/564002121.db2.gz RUOALZZVYJIZNZ-QGZVFWFLSA-N 0 0 343.496 5.252 50 0 EKAARN Cc1nc([C@@H]2CCCN2C(=O)Nc2c(C)cccc2C(C)C)cs1 ZINC000188347959 564002114 /nfs/dbraw/zinc/00/21/14/564002114.db2.gz RUOALZZVYJIZNZ-KRWDZBQOSA-N 0 0 343.496 5.252 50 0 EKAARN CC(C)(C)c1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000192546082 564002050 /nfs/dbraw/zinc/00/20/50/564002050.db2.gz YLALXXNLPXPFFX-UHFFFAOYSA-N 0 0 347.462 5.056 50 0 EKAARN FC(F)(F)c1cnc(SCc2ccnc(Cl)c2)c(Cl)c1 ZINC000195730238 564124155 /nfs/dbraw/zinc/12/41/55/564124155.db2.gz BZVQPAJUCLEIRK-UHFFFAOYSA-N 0 0 339.169 5.095 50 0 EKAARN Cc1ccc([S@@](=O)/C(F)=C\c2ccc(-c3ccccc3)cc2)cc1 ZINC000195759429 564124192 /nfs/dbraw/zinc/12/41/92/564124192.db2.gz YQBVNZLSAQHDQM-HVUZKSCUSA-N 0 0 336.431 5.738 50 0 EKAARN CC[Si](CC)(CC)c1c(Cl)cc(Br)cc1Cl ZINC000195941402 241034035 /nfs/dbraw/zinc/03/40/35/241034035.db2.gz ZIVFAPNNAUFXDS-UHFFFAOYSA-N 0 0 340.164 5.471 50 0 EKAARN CC(C)[Si](c1c(F)cc(Br)cc1F)(C(C)C)C(C)C ZINC000196172412 535312767 /nfs/dbraw/zinc/31/27/67/535312767.db2.gz ZJJUKGMYXQYTAM-UHFFFAOYSA-N 0 0 349.335 5.613 50 0 EKAARN Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1C(=O)c1ccccc1 ZINC000196492669 241034901 /nfs/dbraw/zinc/03/49/01/241034901.db2.gz GXMUNIXRMOLAOJ-UHFFFAOYSA-N 0 0 328.411 5.074 50 0 EKAARN Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000196807668 563961136 /nfs/dbraw/zinc/96/11/36/563961136.db2.gz DEFTZOFCLNDIMR-UHFFFAOYSA-N 0 0 327.362 5.012 50 0 EKAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC ZINC000197099226 564124599 /nfs/dbraw/zinc/12/45/99/564124599.db2.gz VQHJSIBYSWTMLS-NEUKSRIFSA-N 0 0 344.539 6.861 50 0 in-vitro EKAARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(C=O)c2Cl ZINC000198020470 564026412 /nfs/dbraw/zinc/02/64/12/564026412.db2.gz AODIUYZQLDRJKC-UHFFFAOYSA-N 0 0 336.939 5.526 50 0 EKAARN Cc1ccc(C)c(-n2cc(-c3ccc(Cl)c(Cl)c3)sc2=N)c1 ZINC000198717647 564129603 /nfs/dbraw/zinc/12/96/03/564129603.db2.gz CIRZQSJHRDQRAT-UHFFFAOYSA-N 0 0 349.286 5.609 50 0 EKAARN C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000198829687 564129580 /nfs/dbraw/zinc/12/95/80/564129580.db2.gz HVONCPPQPQQFOE-LJQANCHMSA-N 0 0 340.470 5.540 50 0 EKAARN CCN1c2ccccc2S/C1=C\C=C\c1nc2ccccc2s1 ZINC000201322598 564177427 /nfs/dbraw/zinc/17/74/27/564177427.db2.gz PGBJWMCCHRQZNI-DTLUPDQHSA-N 0 0 336.485 5.783 50 0 EKAARN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(Cl)c2F ZINC000202336051 535310380 /nfs/dbraw/zinc/31/03/80/535310380.db2.gz PRIGTJISWGKBPL-UHFFFAOYSA-N 0 0 326.919 5.852 50 0 EKAARN O=C(Nc1cccc2[nH]ccc21)Nc1ccccc1-c1ccccc1 ZINC000202584643 241041498 /nfs/dbraw/zinc/04/14/98/241041498.db2.gz HALPOAFLCWHBSR-UHFFFAOYSA-N 0 0 327.387 5.479 50 0 EKAARN Brc1ccc2sc(SCc3ccccc3)nc2c1 ZINC000206583262 532966183 /nfs/dbraw/zinc/96/61/83/532966183.db2.gz IUPXKMXWEMMSQT-UHFFFAOYSA-N 0 0 336.279 5.351 50 0 EKAARN CC(C)c1ccccc1NC(=O)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000206588516 241045399 /nfs/dbraw/zinc/04/53/99/241045399.db2.gz BGPWZJMVSNZMQI-UHFFFAOYSA-N 0 0 340.810 5.371 50 0 EKAARN CSc1ccccc1C(=O)NCc1ccccc1-c1ccsc1 ZINC000206825088 241052424 /nfs/dbraw/zinc/05/24/24/241052424.db2.gz FSVGXQDKEJQKNH-UHFFFAOYSA-N 0 0 339.485 5.067 50 0 EKAARN O=C(Nc1ccccc1Cl)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206875480 241053387 /nfs/dbraw/zinc/05/33/87/241053387.db2.gz TXCIXYDKNFVQIN-HNNXBMFYSA-N 0 0 346.833 5.281 50 0 EKAARN O=C(Nc1ccccc1Cl)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206875524 241054590 /nfs/dbraw/zinc/05/45/90/241054590.db2.gz TXCIXYDKNFVQIN-OAHLLOKOSA-N 0 0 346.833 5.281 50 0 EKAARN O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206877820 241054956 /nfs/dbraw/zinc/05/49/56/241054956.db2.gz DBVKMFDBYNYRGR-OAHLLOKOSA-N 0 0 349.808 5.028 50 0 EKAARN O=C(c1ccc(F)c(F)c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206877865 241053545 /nfs/dbraw/zinc/05/35/45/241053545.db2.gz DBVKMFDBYNYRGR-HNNXBMFYSA-N 0 0 349.808 5.028 50 0 EKAARN O=C(Nc1cccs1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206881248 241054223 /nfs/dbraw/zinc/05/42/23/241054223.db2.gz JWPXEDKLIHRBGV-AWEZNQCLSA-N 0 0 334.872 5.203 50 0 EKAARN O=C(Nc1cccs1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206881292 241053059 /nfs/dbraw/zinc/05/30/59/241053059.db2.gz JWPXEDKLIHRBGV-CQSZACIVSA-N 0 0 334.872 5.203 50 0 EKAARN Cc1nc(-c2ccccc2NC(=O)Nc2cccc(C)c2C)cs1 ZINC000206909312 241055513 /nfs/dbraw/zinc/05/55/13/241055513.db2.gz FEYUOXLSXVBPSQ-UHFFFAOYSA-N 0 0 337.448 5.379 50 0 EKAARN Cc1nc(-c2ccccc2NC(=O)Nc2ccccc2Cl)cs1 ZINC000206909375 241057802 /nfs/dbraw/zinc/05/78/02/241057802.db2.gz RCWPHMNMWXKIES-UHFFFAOYSA-N 0 0 343.839 5.416 50 0 EKAARN CC[C@H](C(=O)Nc1ccccc1-c1csc(C)n1)c1ccccc1 ZINC000208007583 241065446 /nfs/dbraw/zinc/06/54/46/241065446.db2.gz UTLCNDSLENSBLI-INIZCTEOSA-N 0 0 336.460 5.251 50 0 EKAARN CC[C@@H](C(=O)Nc1ccccc1-c1csc(C)n1)c1ccccc1 ZINC000208007625 564118737 /nfs/dbraw/zinc/11/87/37/564118737.db2.gz UTLCNDSLENSBLI-MRXNPFEDSA-N 0 0 336.460 5.251 50 0 EKAARN Cc1nc(-c2ccccc2NC(=O)c2c(F)cccc2Cl)cs1 ZINC000208007678 241065027 /nfs/dbraw/zinc/06/50/27/241065027.db2.gz TXSLFLQMYOJHBH-UHFFFAOYSA-N 0 0 346.814 5.163 50 0 EKAARN Cc1nc(-c2ccccc2NC(=O)c2cc3ccccc3o2)cs1 ZINC000208007954 241065630 /nfs/dbraw/zinc/06/56/30/241065630.db2.gz YYCNFZTUZXEAHS-UHFFFAOYSA-N 0 0 334.400 5.117 50 0 EKAARN Brc1ccoc1/C=C\c1sccc1Br ZINC000210102773 564086808 /nfs/dbraw/zinc/08/68/08/564086808.db2.gz XYVOBIMWVPBFHG-UPHRSURJSA-N 0 0 334.032 5.037 50 0 EKAARN Cc1ccc(/C(=C(\c2ccccc2)n2ccnc2)c2ccccc2)cc1 ZINC000211068424 564054509 /nfs/dbraw/zinc/05/45/09/564054509.db2.gz XWTYXPSNPWCBRA-WCWDXBQESA-N 0 0 336.438 5.656 50 0 EKAARN O=C(Nc1ccccc1Cl)N1CCS[C@H](c2ccccc2)CC1 ZINC000211144395 241082234 /nfs/dbraw/zinc/08/22/34/241082234.db2.gz NKJXZADIPCUKTP-KRWDZBQOSA-N 0 0 346.883 5.052 50 0 EKAARN O=C(Nc1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211144445 241080908 /nfs/dbraw/zinc/08/09/08/241080908.db2.gz NKJXZADIPCUKTP-QGZVFWFLSA-N 0 0 346.883 5.052 50 0 EKAARN C(=C\Sc1cc2ccccc2cn1)\Sc1cc2ccccc2cn1 ZINC000214358227 564026284 /nfs/dbraw/zinc/02/62/84/564026284.db2.gz VLXIKRXCHFSEKZ-KTKRTIGZSA-N 0 0 346.480 6.139 50 0 EKAARN O=c1ccccc2c(/C=C\c3cccc(Oc4ccccc4)c3)noc21 ZINC000215350350 564134687 /nfs/dbraw/zinc/13/46/87/564134687.db2.gz RLQAHCIFCJBDPE-YPKPFQOOSA-N 0 0 341.366 5.151 50 0 EKAARN Cc1c(Cl)cccc1NC(=S)Nc1cccc2ncccc21 ZINC000215677669 241139675 /nfs/dbraw/zinc/13/96/75/241139675.db2.gz HKYZWOFJISSHQG-UHFFFAOYSA-N 0 0 327.840 5.006 50 0 EKAARN CCCCN(Cc1ccccc1)C(=S)Nc1cccc(Cl)c1C ZINC000215678173 241141096 /nfs/dbraw/zinc/14/10/96/241141096.db2.gz ZSJSLQHQLNZFBE-UHFFFAOYSA-N 0 0 346.927 5.648 50 0 EKAARN O=C(c1cccc(-c2ccco2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000215716564 241141262 /nfs/dbraw/zinc/14/12/62/241141262.db2.gz SMNXEMJSWLCTOH-LJQANCHMSA-N 0 0 335.378 5.063 50 0 EKAARN O=C(c1cccc(-c2ccco2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000215716611 241141443 /nfs/dbraw/zinc/14/14/43/241141443.db2.gz SMNXEMJSWLCTOH-IBGZPJMESA-N 0 0 335.378 5.063 50 0 EKAARN O=C(OC/C=C\c1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000215815610 241146493 /nfs/dbraw/zinc/14/64/93/241146493.db2.gz PMFKYMFXAWWSTC-DAXSKMNVSA-N 0 0 342.485 5.035 50 0 EKAARN C[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 ZINC000215968320 564019636 /nfs/dbraw/zinc/01/96/36/564019636.db2.gz MEEPXKFABOIWFB-GFCCVEGCSA-N 0 0 347.245 5.499 50 0 EKAARN C[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 ZINC000215968361 564019646 /nfs/dbraw/zinc/01/96/46/564019646.db2.gz MEEPXKFABOIWFB-LBPRGKRZSA-N 0 0 347.245 5.499 50 0 EKAARN c1csc(-c2ccc3[nH]c4ccc(-c5cccs5)cc4c3c2)c1 ZINC000215974641 241156504 /nfs/dbraw/zinc/15/65/04/241156504.db2.gz VFFMMTGRCBFHJJ-UHFFFAOYSA-N 0 0 331.465 6.778 50 0 EKAARN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@@H](C)[C@H]3CC[C@@]21C ZINC000216030370 241159475 /nfs/dbraw/zinc/15/94/75/241159475.db2.gz LFDDUQXVBIIJBD-NQUKYDJQSA-N 0 0 344.583 6.529 50 0 EKAARN C(=C/c1ccc(/C=C/C=C\c2ccccc2)cc1)\C=C/c1ccccc1 ZINC000216208912 533350295 /nfs/dbraw/zinc/35/02/95/533350295.db2.gz RDXVBJMYWDYESH-GIUXIPRXSA-N 0 0 334.462 7.140 50 0 EKAARN Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000216514356 241198576 /nfs/dbraw/zinc/19/85/76/241198576.db2.gz WGTQMXKTPXOADO-OAQYLSRUSA-N 0 0 342.442 5.034 50 0 EKAARN Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000216514402 241198423 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241456274 /nfs/dbraw/zinc/45/62/74/241456274.db2.gz MAIAUEZODODLMZ-UHFFFAOYSA-N 0 0 342.427 5.089 50 0 EKAARN Nc1c2ccc(-c3cccs3)nc2sc1-c1nc2ccccc2[nH]1 ZINC000220967700 241455586 /nfs/dbraw/zinc/45/55/86/241455586.db2.gz QYIJAIJERZXBKL-UHFFFAOYSA-N 0 0 348.456 5.150 50 0 EKAARN CCC(=O)c1ccc(OCc2coc(-c3ccc(Cl)cc3)n2)cc1 ZINC000222376546 564053602 /nfs/dbraw/zinc/05/36/02/564053602.db2.gz KDWWPGZFCOCUMJ-UHFFFAOYSA-N 0 0 341.794 5.167 50 0 EKAARN CC(C)CCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 ZINC000222376828 564036825 /nfs/dbraw/zinc/03/68/25/564036825.db2.gz IUAVUWILJKRRJW-UHFFFAOYSA-N 0 0 342.442 5.263 50 0 EKAARN CC(C)(C)c1cnc(CCC(=O)Oc2ccccc2-c2ccccc2)o1 ZINC000225387265 241836616 /nfs/dbraw/zinc/83/66/16/241836616.db2.gz HXJDGYVZACPRTL-UHFFFAOYSA-N 0 0 349.430 5.177 50 0 EKAARN Cn1ccnc1-c1cccc(NCc2csc(Cl)c2Cl)c1 ZINC000225459881 564046975 /nfs/dbraw/zinc/04/69/75/564046975.db2.gz SJIFBILSSNUYND-UHFFFAOYSA-N 0 0 338.263 5.068 50 0 EKAARN CCc1ccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499931 564047308 /nfs/dbraw/zinc/04/73/08/564047308.db2.gz CRQGNYWWZKBWEL-CQSZACIVSA-N 0 0 343.421 5.187 50 0 EKAARN CCc1ccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499964 564047288 /nfs/dbraw/zinc/04/72/88/564047288.db2.gz CRQGNYWWZKBWEL-AWEZNQCLSA-N 0 0 343.421 5.187 50 0 EKAARN Cc1ccc2c(c1)nc(Nc1ccc(Cl)cc1)nc2-c1ccccc1 ZINC000225518857 241910223 /nfs/dbraw/zinc/91/02/23/241910223.db2.gz YDRGFHLBMSLSDE-UHFFFAOYSA-N 0 0 345.833 6.002 50 0 EKAARN O=C(Nc1ccccc1-c1cccs1)c1ccoc1Br ZINC000225537634 564117704 /nfs/dbraw/zinc/11/77/04/564117704.db2.gz UHEHPEIAIZBWMK-UHFFFAOYSA-N 0 0 348.221 5.023 50 0 EKAARN O=C(c1ccc(NCc2ccc(Cl)s2)cc1)N1CCCCCC1 ZINC000225587386 564048090 /nfs/dbraw/zinc/04/80/90/564048090.db2.gz KMJYSEYCURIOTF-UHFFFAOYSA-N 0 0 348.899 5.030 50 0 EKAARN c1coc(-c2ncc(CNc3ccc(Oc4ccccc4)cn3)s2)c1 ZINC000225599253 564048217 /nfs/dbraw/zinc/04/82/17/564048217.db2.gz AMADWZQOFPAFEN-UHFFFAOYSA-N 0 0 349.415 5.203 50 0 EKAARN O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccsc1)C1CC1 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348.240 5.002 50 0 EKAARN Fc1c(Br)cc(OCc2ccccc2)cc1C(F)(F)F ZINC000261494447 564132577 /nfs/dbraw/zinc/13/25/77/564132577.db2.gz XULLROLWKBKRDF-UHFFFAOYSA-N 0 0 349.121 5.186 50 0 EKAARN CCCN(C(=O)OC(C)(C)C)c1ccc(Br)c(Cl)c1 ZINC000261494468 564132589 /nfs/dbraw/zinc/13/25/89/564132589.db2.gz YIBLDJQHVHXXMU-UHFFFAOYSA-N 0 0 348.668 5.254 50 0 EKAARN FC(F)(F)c1ccn2c(cnc2-c2c(Cl)cccc2Cl)c1 ZINC000261494992 563926627 /nfs/dbraw/zinc/92/66/27/563926627.db2.gz BIECQDYHTZGREF-UHFFFAOYSA-N 0 0 331.124 5.327 50 0 EKAARN Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000261507513 564132585 /nfs/dbraw/zinc/13/25/85/564132585.db2.gz JKHCVYDYGWHIFJ-UHFFFAOYSA-N 0 0 343.817 5.526 50 0 EKAARN O=C([O-])C1CCC([NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000263439170 564161967 /nfs/dbraw/zinc/16/19/67/564161967.db2.gz VQWIORFXPNQMGS-PPSBMQLTSA-N 0 0 349.902 5.194 50 0 EKAARN O=C([O-])C1CCC([NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000263439171 564161981 /nfs/dbraw/zinc/16/19/81/564161981.db2.gz VQWIORFXPNQMGS-XUJQIHCRSA-N 0 0 349.902 5.194 50 0 EKAARN Cc1ccc(-c2noc(-c3cccn3Cc3cc(C)ccc3C)n2)cc1 ZINC000263616746 564062912 /nfs/dbraw/zinc/06/29/12/564062912.db2.gz KHWGJQOVIXBUDB-UHFFFAOYSA-N 0 0 343.430 5.179 50 0 EKAARN Fc1cc(C(F)(F)F)cn2c1cnc2-c1c(Cl)cccc1Cl ZINC000263639805 245465933 /nfs/dbraw/zinc/46/59/33/245465933.db2.gz JPBJAMIHBYCDOF-UHFFFAOYSA-N 0 0 349.114 5.466 50 0 EKAARN FC(F)(F)c1ccc(-c2ccc(CNc3ccccc3)cc2)nc1 ZINC000263640057 563984349 /nfs/dbraw/zinc/98/43/49/563984349.db2.gz VHTPURRLTOEMQB-UHFFFAOYSA-N 0 0 328.337 5.380 50 0 EKAARN FC(F)(F)c1ccc2cnc(-c3c(Cl)cccc3Cl)n2c1 ZINC000263640073 564132614 /nfs/dbraw/zinc/13/26/14/564132614.db2.gz WICIXQWMCAYUDH-UHFFFAOYSA-N 0 0 331.124 5.327 50 0 EKAARN COc1cccc([C@@H]2CCN(CC3CC3)c3ccccc3S2)c1 ZINC000299780878 258089493 /nfs/dbraw/zinc/08/94/93/258089493.db2.gz CBRHDNXUKAQCID-IBGZPJMESA-N 0 0 325.477 5.149 50 0 EKAARN COc1cccc([C@H]2CCN(CC3CC3)c3ccccc3S2)c1 ZINC000299780880 258089372 /nfs/dbraw/zinc/08/93/72/258089372.db2.gz CBRHDNXUKAQCID-LJQANCHMSA-N 0 0 325.477 5.149 50 0 EKAARN CC(=O)O[C@@H]1CC/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000299817547 564132898 /nfs/dbraw/zinc/13/28/98/564132898.db2.gz HVBACKJYWZTKCA-VSPJOBMXSA-N 0 0 348.527 5.739 50 0 biogenic,in-vitro EKAARN CC(=O)O[C@H]1CC/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000299817548 564132945 /nfs/dbraw/zinc/13/29/45/564132945.db2.gz HVBACKJYWZTKCA-ZMUWPQNKSA-N 0 0 348.527 5.739 50 0 biogenic,in-vitro EKAARN CC(C)(C)OC(=O)Nc1cc2ccc(Br)cc2s1 ZINC000307197852 258015953 /nfs/dbraw/zinc/01/59/53/258015953.db2.gz SODWYTOTCPXUTA-UHFFFAOYSA-N 0 0 328.231 5.011 50 0 EKAARN CC(C)(C)c1ccc(COc2c(Cl)cc(Cl)cc2C=O)cc1 ZINC000314466809 564176366 /nfs/dbraw/zinc/17/63/66/564176366.db2.gz KBFBYOYADCFJDD-UHFFFAOYSA-N 0 0 337.246 5.682 50 0 EKAARN CC(=O)c1cc(Cl)ccc1Oc1ccc(Br)cc1 ZINC000328579097 258017363 /nfs/dbraw/zinc/01/73/63/258017363.db2.gz PRVLNXDENKDNKS-UHFFFAOYSA-N 0 0 325.589 5.097 50 0 EKAARN O=C1Cc2cc(-c3csc(-c4c(F)cccc4Cl)n3)ccc2N1 ZINC000328591248 258044278 /nfs/dbraw/zinc/04/42/78/258044278.db2.gz DYUGQOBIHGQPQM-UHFFFAOYSA-N 0 0 344.798 5.414 50 0 EKAARN Cc1ccc2c(c1)nc(Nc1cccc(Cl)c1)nc2-c1ccccc1 ZINC000328600722 258041398 /nfs/dbraw/zinc/04/13/98/258041398.db2.gz ZGENCSSFHHFCRE-UHFFFAOYSA-N 0 0 345.833 5.424 50 0 EKAARN CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)cc(C)cc1C ZINC000334156926 564148892 /nfs/dbraw/zinc/14/88/92/564148892.db2.gz BFQKIUCPOZHCLR-UHFFFAOYSA-N 0 0 336.504 5.703 50 0 EKAARN Cc1csc(=Nc2cc(C(F)(F)F)ccc2Cl)n1C(C)(C)C ZINC000334157454 258004317 /nfs/dbraw/zinc/00/43/17/258004317.db2.gz YTGVUABPCKZYQI-UHFFFAOYSA-N 0 0 348.821 5.518 50 0 EKAARN CCSc1ccccc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000334162352 258016037 /nfs/dbraw/zinc/01/60/37/258016037.db2.gz MYUDAVVQVFYZGJ-UHFFFAOYSA-N 0 0 329.396 5.245 50 0 EKAARN CCSc1ccccc1NC(=O)c1oc2c(cc(C)cc2C)c1C ZINC000334162484 258015800 /nfs/dbraw/zinc/01/58/00/258015800.db2.gz OMNUBGOZDZVEEG-UHFFFAOYSA-N 0 0 339.460 5.722 50 0 EKAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCc1cc(F)ccc1C ZINC000334163277 258016158 /nfs/dbraw/zinc/01/61/58/258016158.db2.gz YPKWEOSRGUXSDB-UHFFFAOYSA-N 0 0 345.801 5.081 50 0 EKAARN CC[C@H](C)N1C(=O)CC[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000334163479 258015790 /nfs/dbraw/zinc/01/57/90/258015790.db2.gz ULFJZQFBFIWLSX-JXFKEZNVSA-N 0 0 346.474 5.307 50 0 EKAARN CC[C@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000334163480 258016187 /nfs/dbraw/zinc/01/61/87/258016187.db2.gz ULFJZQFBFIWLSX-OXJNMPFZSA-N 0 0 346.474 5.307 50 0 EKAARN CC[C@@H](C)N1C(=O)CC[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000334163481 258015874 /nfs/dbraw/zinc/01/58/74/258015874.db2.gz ULFJZQFBFIWLSX-OXQOHEQNSA-N 0 0 346.474 5.307 50 0 EKAARN CC[C@@H](C)N1C(=O)CC[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000334163482 258015930 /nfs/dbraw/zinc/01/59/30/258015930.db2.gz ULFJZQFBFIWLSX-UZLBHIALSA-N 0 0 346.474 5.307 50 0 EKAARN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000334163631 258015807 /nfs/dbraw/zinc/01/58/07/258015807.db2.gz ZIMAKXCLEZVJPA-JOCHJYFZSA-N 0 0 338.410 5.226 50 0 EKAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000334163632 258016051 /nfs/dbraw/zinc/01/60/51/258016051.db2.gz ZIMAKXCLEZVJPA-QFIPXVFZSA-N 0 0 338.410 5.226 50 0 EKAARN O=C(CCc1cccc(Cl)c1)N1CCCC[C@H](c2ccccc2)C1 ZINC000390825965 564173669 /nfs/dbraw/zinc/17/36/69/564173669.db2.gz UUVAHKFRNGQSDW-IBGZPJMESA-N 0 0 341.882 5.069 50 0 EKAARN O=C(CCc1cccc(Cl)c1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000390825966 564173682 /nfs/dbraw/zinc/17/36/82/564173682.db2.gz UUVAHKFRNGQSDW-LJQANCHMSA-N 0 0 341.882 5.069 50 0 EKAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(Cl)s1 ZINC000390826185 564173681 /nfs/dbraw/zinc/17/36/81/564173681.db2.gz DZRMMHMWCRGMNM-CYBMUJFWSA-N 0 0 339.894 5.044 50 0 EKAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(Cl)s1 ZINC000390826186 564173672 /nfs/dbraw/zinc/17/36/72/564173672.db2.gz DZRMMHMWCRGMNM-ZDUSSCGKSA-N 0 0 339.894 5.044 50 0 EKAARN CSc1ccccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826328 564173683 /nfs/dbraw/zinc/17/36/83/564173683.db2.gz IFKOITRNIBOYJZ-INIZCTEOSA-N 0 0 345.514 5.051 50 0 EKAARN CSc1ccccc1C(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390826329 564173695 /nfs/dbraw/zinc/17/36/95/564173695.db2.gz IFKOITRNIBOYJZ-MRXNPFEDSA-N 0 0 345.514 5.051 50 0 EKAARN Cc1ccccc1NC(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826718 564173673 /nfs/dbraw/zinc/17/36/73/564173673.db2.gz OYAQNOAGLNZVBU-INIZCTEOSA-N 0 0 328.462 5.029 50 0 EKAARN Cc1ccccc1NC(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390826719 564173689 /nfs/dbraw/zinc/17/36/89/564173689.db2.gz OYAQNOAGLNZVBU-MRXNPFEDSA-N 0 0 328.462 5.029 50 0 EKAARN O=C(Nc1ccccc1Cl)N[C@@H](c1ccsc1)c1cccs1 ZINC000390827216 564173686 /nfs/dbraw/zinc/17/36/86/564173686.db2.gz VBPBEXFGTKHTCC-HNNXBMFYSA-N 0 0 348.880 5.374 50 0 EKAARN O=C(Nc1ccccc1Cl)N[C@H](c1ccsc1)c1cccs1 ZINC000390827219 564173678 /nfs/dbraw/zinc/17/36/78/564173678.db2.gz VBPBEXFGTKHTCC-OAHLLOKOSA-N 0 0 348.880 5.374 50 0 EKAARN O=C(NC1(c2cccs2)CCCC1)C1(c2cccs2)CCCC1 ZINC000390827425 564173693 /nfs/dbraw/zinc/17/36/93/564173693.db2.gz HALZSOMECRMUHY-UHFFFAOYSA-N 0 0 345.533 5.207 50 0 EKAARN O=C(Cc1cccc2ccccc21)NC1(c2cccs2)CCCC1 ZINC000390828570 564173677 /nfs/dbraw/zinc/17/36/77/564173677.db2.gz SAOIAORZSQPGEX-UHFFFAOYSA-N 0 0 335.472 5.030 50 0 EKAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc2ccccc2o1 ZINC000390829705 564173692 /nfs/dbraw/zinc/17/36/92/564173692.db2.gz GAKQCBIJFHNTCK-KRWDZBQOSA-N 0 0 339.441 5.075 50 0 EKAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1cc2ccccc2o1 ZINC000390829706 564173688 /nfs/dbraw/zinc/17/36/88/564173688.db2.gz GAKQCBIJFHNTCK-QGZVFWFLSA-N 0 0 339.441 5.075 50 0 EKAARN Cc1ccc2c(c1)nc(Nc1ccc(C)c(C)c1)nc2-c1ccccc1 ZINC000408525685 563862125 /nfs/dbraw/zinc/86/21/25/563862125.db2.gz RTFMJIAWKPCHID-UHFFFAOYSA-N 0 0 339.442 5.966 50 0 EKAARN Cc1nnc(Cl)c(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 ZINC000409421778 563976085 /nfs/dbraw/zinc/97/60/85/563976085.db2.gz LJCOOMVBEQGGJF-UHFFFAOYSA-N 0 0 333.193 5.565 50 0 EKAARN CCCC[C@H]1CCCN1C(=O)c1cccc(-c2ccc3[nH]cnc3c2)c1 ZINC000426518981 563995864 /nfs/dbraw/zinc/99/58/64/563995864.db2.gz OVBKZNPLBMVBMV-IBGZPJMESA-N 0 0 347.462 5.025 50 0 EKAARN CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc3[nH]cnc3c2)c1 ZINC000426518982 563995872 /nfs/dbraw/zinc/99/58/72/563995872.db2.gz OVBKZNPLBMVBMV-LJQANCHMSA-N 0 0 347.462 5.025 50 0 EKAARN CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 ZINC000426597159 563995897 /nfs/dbraw/zinc/99/58/97/563995897.db2.gz CAKVHMKKCOHHDF-KRWDZBQOSA-N 0 0 341.476 5.022 50 0 EKAARN CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccsc2C(C)=O)cc1 ZINC000426597160 563995926 /nfs/dbraw/zinc/99/59/26/563995926.db2.gz CAKVHMKKCOHHDF-QGZVFWFLSA-N 0 0 341.476 5.022 50 0 EKAARN CCCN(C(=O)c1ccc(-c2cccc(C(C)=O)c2)cc1)C1CCCC1 ZINC000426712156 563995896 /nfs/dbraw/zinc/99/58/96/563995896.db2.gz OGNVIDURNYBAHW-UHFFFAOYSA-N 0 0 349.474 5.351 50 0 EKAARN CC(C)(C)OC(=O)N1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC000498051136 564112430 /nfs/dbraw/zinc/11/24/30/564112430.db2.gz VZRUXBWFFRFAEW-UHFFFAOYSA-N 0 0 328.239 5.018 50 0 EKAARN Clc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1 ZINC000514253141 563513603 /nfs/dbraw/zinc/51/36/03/563513603.db2.gz JWWMUTCXVNBWGP-UHFFFAOYSA-N 0 0 342.829 6.131 50 0 EKAARN CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(OCC)cc3)CC2)CC1 ZINC000514287085 564079252 /nfs/dbraw/zinc/07/92/52/564079252.db2.gz FXFZNZIPWAAKSA-IFSQOONMSA-N 0 0 328.540 6.966 50 0 EKAARN Oc1ccc(OCc2ccccc2)cc1-c1c[nH]nc1-c1ccsc1 ZINC000524733240 563988519 /nfs/dbraw/zinc/98/85/19/563988519.db2.gz BCPPOPVBLJTNTO-UHFFFAOYSA-N 0 0 348.427 5.090 50 0 EKAARN CCN(C(=O)C(C)C)[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000526052252 563993548 /nfs/dbraw/zinc/99/35/48/563993548.db2.gz KGIXLRSVSSHUJV-NRFANRHFSA-N 0 0 334.463 5.070 50 0 EKAARN CCN(C(=O)C(C)C)[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000526052253 563993559 /nfs/dbraw/zinc/99/35/59/563993559.db2.gz KGIXLRSVSSHUJV-OAQYLSRUSA-N 0 0 334.463 5.070 50 0 EKAARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccccc1SC ZINC000526052276 563993587 /nfs/dbraw/zinc/99/35/87/563993587.db2.gz OOMHTZHLYIYRHL-UHFFFAOYSA-N 0 0 339.460 5.586 50 0 EKAARN CSc1ccccc1NC(=O)c1oc2cc(C)c(Cl)cc2c1C ZINC000526052296 563993567 /nfs/dbraw/zinc/99/35/67/563993567.db2.gz SWZLDBISTPJMET-UHFFFAOYSA-N 0 0 345.851 5.677 50 0 EKAARN CCc1ccc2oc(C(=O)Nc3ccccc3SC)c(C)c2c1 ZINC000526052302 564003785 /nfs/dbraw/zinc/00/37/85/564003785.db2.gz VNEAPNZRYIWESS-UHFFFAOYSA-N 0 0 325.433 5.278 50 0 EKAARN CSc1ccccc1NC(=O)c1oc2c(cc(C)cc2C)c1C ZINC000526052305 563993581 /nfs/dbraw/zinc/99/35/81/563993581.db2.gz WBQGPWSEUNFPKA-UHFFFAOYSA-N 0 0 325.433 5.332 50 0 EKAARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000526052324 563993582 /nfs/dbraw/zinc/99/35/82/563993582.db2.gz YXDUXVRXDZQODN-UHFFFAOYSA-N 0 0 349.474 6.162 50 0 EKAARN Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000526052325 563993580 /nfs/dbraw/zinc/99/35/80/563993580.db2.gz ZACYTLSLHCYBEV-UHFFFAOYSA-N 0 0 335.447 5.908 50 0 EKAARN Cc1cc(C(=O)Nc2c(F)cccc2F)sc1-c1ccccc1 ZINC000526052401 563993588 /nfs/dbraw/zinc/99/35/88/563993588.db2.gz IGMQFQJBNPUAND-UHFFFAOYSA-N 0 0 329.371 5.254 50 0 EKAARN O=C(c1ccsc1)c1coc2ccc(OCc3ccccc3)cc12 ZINC000526052461 564007198 /nfs/dbraw/zinc/00/71/98/564007198.db2.gz HIPQRBBTYJOYNI-UHFFFAOYSA-N 0 0 334.396 5.304 50 0 EKAARN Cc1cc(C(=O)Nc2ccc(C(C)C)c(C)c2)sc1-c1ccccc1 ZINC000526052481 563993590 /nfs/dbraw/zinc/99/35/90/563993590.db2.gz SRSKUYLTVVJSJK-UHFFFAOYSA-N 0 0 349.499 6.408 50 0 EKAARN C=Cc1ccc(-c2cccc(C(=O)N(CCC)C3CCCC3)c2)nc1 ZINC000534574502 564017573 /nfs/dbraw/zinc/01/75/73/564017573.db2.gz ACRUVVNZZRQSFL-UHFFFAOYSA-N 0 0 334.463 5.186 50 0 EKAARN CCCCCCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000536554680 564017614 /nfs/dbraw/zinc/01/76/14/564017614.db2.gz VCUFPWIASNXZJH-UHFFFAOYSA-N 0 0 341.476 5.054 50 0 EKAARN O=C(NCCc1ccc(-c2ccsc2)s1)c1ccccc1Cl ZINC000575413979 564078880 /nfs/dbraw/zinc/07/88/80/564078880.db2.gz AWKWCDXNYKEXLV-UHFFFAOYSA-N 0 0 347.892 5.103 50 0 EKAARN Cc1ccccc1NC(=O)NCCc1ccc(-c2ccsc2)s1 ZINC000575413994 564078873 /nfs/dbraw/zinc/07/88/73/564078873.db2.gz FZQGMUXRRJAYNO-UHFFFAOYSA-N 0 0 342.489 5.149 50 0 EKAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1cccc2ccccc21 ZINC000575414925 564079057 /nfs/dbraw/zinc/07/90/57/564079057.db2.gz QLVRBKNBBMICNK-IBGZPJMESA-N 0 0 349.480 5.482 50 0 EKAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1cccc2ccccc21 ZINC000575414926 564079063 /nfs/dbraw/zinc/07/90/63/564079063.db2.gz QLVRBKNBBMICNK-LJQANCHMSA-N 0 0 349.480 5.482 50 0 EKAARN O=C(NCc1ccccc1)c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000575444398 564116944 /nfs/dbraw/zinc/11/69/44/564116944.db2.gz QSVZWJZXARTFPB-UHFFFAOYSA-N 0 0 346.213 5.183 50 0 EKAARN CC(C)CCc1cc(=O)oc2cc3c(cc12)[C@@H](C)CC(C)(C)N3C ZINC000575473140 564080987 /nfs/dbraw/zinc/08/09/87/564080987.db2.gz HZFAXMAUDPYDND-AWEZNQCLSA-N 0 0 327.468 5.104 50 0 EKAARN CC(C)CCc1cc(=O)oc2cc3c(cc12)[C@H](C)CC(C)(C)N3C ZINC000575473143 564081009 /nfs/dbraw/zinc/08/10/09/564081009.db2.gz HZFAXMAUDPYDND-CQSZACIVSA-N 0 0 327.468 5.104 50 0 EKAARN O=C(Cc1cccc2ccccc21)NCc1ccc(-c2ccsc2)o1 ZINC000575609818 564082580 /nfs/dbraw/zinc/08/25/80/564082580.db2.gz HVCVWTNOGAAARW-UHFFFAOYSA-N 0 0 347.439 5.020 50 0 EKAARN O=C(NCc1ccc(-c2ccoc2)o1)c1ccc(-c2ccsc2)cc1 ZINC000575610051 564082528 /nfs/dbraw/zinc/08/25/28/564082528.db2.gz JNMMKLSFKICOFY-UHFFFAOYSA-N 0 0 349.411 5.198 50 0 EKAARN O=C(NCc1ccc(-c2ccsc2)o1)c1cc2ccccc2s1 ZINC000575611872 564082693 /nfs/dbraw/zinc/08/26/93/564082693.db2.gz ZEKRIKWIEDKASC-UHFFFAOYSA-N 0 0 339.441 5.153 50 0 EKAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1c(F)cccc1Cl ZINC000575621593 564083908 /nfs/dbraw/zinc/08/39/08/564083908.db2.gz PVVHAURWACVRMO-LLVKDONJSA-N 0 0 347.842 5.055 50 0 EKAARN C[C@@H](Cc1csc2ccccc12)NC(=O)c1c(F)cccc1Cl ZINC000575621595 564083883 /nfs/dbraw/zinc/08/38/83/564083883.db2.gz PVVHAURWACVRMO-NSHDSACASA-N 0 0 347.842 5.055 50 0 EKAARN CC[C@@H](C(=O)N[C@H](C)Cc1csc2ccccc12)c1ccccc1 ZINC000575621731 564083914 /nfs/dbraw/zinc/08/39/14/564083914.db2.gz SBVCVSWYDAEEMQ-CRAIPNDOSA-N 0 0 337.488 5.142 50 0 EKAARN CC[C@@H](C(=O)N[C@@H](C)Cc1csc2ccccc12)c1ccccc1 ZINC000575621732 564083941 /nfs/dbraw/zinc/08/39/41/564083941.db2.gz SBVCVSWYDAEEMQ-MAUKXSAKSA-N 0 0 337.488 5.142 50 0 EKAARN CC[C@H](C(=O)N[C@H](C)Cc1csc2ccccc12)c1ccccc1 ZINC000575621733 564083934 /nfs/dbraw/zinc/08/39/34/564083934.db2.gz SBVCVSWYDAEEMQ-QAPCUYQASA-N 0 0 337.488 5.142 50 0 EKAARN CC[C@H](C(=O)N[C@@H](C)Cc1csc2ccccc12)c1ccccc1 ZINC000575621734 564083916 /nfs/dbraw/zinc/08/39/16/564083916.db2.gz SBVCVSWYDAEEMQ-YJBOKZPZSA-N 0 0 337.488 5.142 50 0 EKAARN FC(F)(F)c1cccc(-c2ocnc2-c2noc(C3CCCC3)n2)c1 ZINC000576384661 563930668 /nfs/dbraw/zinc/93/06/68/563930668.db2.gz MCTQVDSRGQNIMW-UHFFFAOYSA-N 0 0 349.312 5.068 50 0 EKAARN CCC[C@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000584893822 564080375 /nfs/dbraw/zinc/08/03/75/564080375.db2.gz PYFHQCZRJVGXLU-FQEVSTJZSA-N 0 0 344.458 5.307 50 0 EKAARN CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000584893823 564080360 /nfs/dbraw/zinc/08/03/60/564080360.db2.gz PYFHQCZRJVGXLU-HXUWFJFHSA-N 0 0 344.458 5.307 50 0 EKAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000584904499 564080399 /nfs/dbraw/zinc/08/03/99/564080399.db2.gz CXVIDGGMNLBIKW-BMGDILEWSA-N 0 0 344.252 5.002 50 0 EKAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000584904500 564080438 /nfs/dbraw/zinc/08/04/38/564080438.db2.gz CXVIDGGMNLBIKW-ZTFGCOKTSA-N 0 0 344.252 5.002 50 0 EKAARN FC(F)(F)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c1 ZINC000584904517 564080417 /nfs/dbraw/zinc/08/04/17/564080417.db2.gz HUHSUGMGRPHFGH-UHFFFAOYSA-N 0 0 328.293 5.509 50 0 EKAARN CCc1cc(C(=O)Nc2ccc(F)cc2)sc1-c1ccccc1 ZINC000585152296 564080785 /nfs/dbraw/zinc/08/07/85/564080785.db2.gz LWAMGWSZNKDOFQ-UHFFFAOYSA-N 0 0 325.408 5.369 50 0 EKAARN CCc1cc(C(=O)Nc2c(C)cccc2C)sc1-c1ccccc1 ZINC000585152308 563974300 /nfs/dbraw/zinc/97/43/00/563974300.db2.gz NIYIHHQSEGZGII-UHFFFAOYSA-N 0 0 335.472 5.847 50 0 EKAARN CCOc1ccccc1NC(=O)c1cc(C)c(-c2ccccc2)s1 ZINC000585152316 564080801 /nfs/dbraw/zinc/08/08/01/564080801.db2.gz OBVOOSOCYCYEBA-UHFFFAOYSA-N 0 0 337.444 5.375 50 0 EKAARN CCc1cc(C(=O)NCCc2cccs2)sc1-c1ccccc1 ZINC000585152344 564080831 /nfs/dbraw/zinc/08/08/31/564080831.db2.gz RIQXHVGTBPDIST-UHFFFAOYSA-N 0 0 341.501 5.012 50 0 EKAARN CCc1cc(C(=O)Nc2ccc(Cl)cc2)sc1-c1ccccc1 ZINC000585152398 564080827 /nfs/dbraw/zinc/08/08/27/564080827.db2.gz ZJAFXHZOVLZQFY-UHFFFAOYSA-N 0 0 341.863 5.883 50 0 EKAARN CC(C)(C)C1CCC2(CC1)NN=C(c1cccc3ccccc31)S2 ZINC000670419175 564152025 /nfs/dbraw/zinc/15/20/25/564152025.db2.gz MTWYQLAKYTUHEH-UHFFFAOYSA-N 0 0 338.520 5.770 50 0 EKAARN Cc1c2cc(Cl)ccc2[nH]c1-c1ncc(Br)cc1C ZINC000670426607 564154247 /nfs/dbraw/zinc/15/42/47/564154247.db2.gz PWMGRGZXMSJXQD-UHFFFAOYSA-N 0 0 335.632 5.263 50 0 EKAARN CN(C)c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000685944225 564051375 /nfs/dbraw/zinc/05/13/75/564051375.db2.gz DIZDNWPAKZMIBH-BJMVGYQFSA-N 0 0 348.393 5.552 50 0 EKAARN CCN1c2ccccc2S/C1=C\C1=Nc2cccc3cccc1c23 ZINC000685944400 564051388 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