smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2-c2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc21 ZINC000005777171 209614114 /nfs/dbraw/zinc/61/41/14/209614114.db2.gz YDDKLNGDRGAWTQ-STBIYBPSSA-N 0 0 383.450 6.955 40 30 GKEBRN Nc1ccc(/C(=N/N=C(/c2ccccc2)c2ccc(N)cc2)c2ccccc2)cc1 ZINC000002029448 209343327 /nfs/dbraw/zinc/34/33/27/209343327.db2.gz KUZMMZJVOVUSFZ-ZUSIYWPSSA-N 0 0 390.490 5.141 40 30 GKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc2ccccc12 ZINC000001827322 209340499 /nfs/dbraw/zinc/34/04/99/209340499.db2.gz GUGCGEYBYJXKLY-JJFYIABZSA-N 0 0 399.306 5.576 40 30 GKEBRN C(=N/N=C1c2ccccc2-c2ccccc21)\c1cccc(OCc2ccccc2)c1 ZINC000001710197 209336391 /nfs/dbraw/zinc/33/63/91/209336391.db2.gz LYGCFYNUMTZAAT-MTDXEUNCSA-N 0 0 388.470 6.118 40 30 GKEBRN CSc1ccccc1[C@@H]1CCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001715747 209336421 /nfs/dbraw/zinc/33/64/21/209336421.db2.gz WNCLJWDPZQUUAG-ICSRJNTNSA-N 0 0 390.570 5.539 40 30 GKEBRN CC(=O)Nc1ccc(Nc2cc(C(C)C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000001467931 209329054 /nfs/dbraw/zinc/32/90/54/209329054.db2.gz PYTOXTBGLWFKAP-UHFFFAOYSA-N 0 0 383.455 5.185 40 30 GKEBRN CCN(CC)c1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1 ZINC000001441348 212244751 /nfs/dbraw/zinc/24/47/51/212244751.db2.gz KUROJJZWNBRSBA-DEOSSOPVSA-N 0 0 397.522 5.646 40 30 GKEBRN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000001428685 212244370 /nfs/dbraw/zinc/24/43/70/212244370.db2.gz ZFPLXJQHNFEJOP-OAQYLSRUSA-N 0 0 382.891 5.571 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000219806671 209187460 /nfs/dbraw/zinc/18/74/60/209187460.db2.gz ZTNOURUWGIKNNT-UHFFFAOYSA-N 0 0 395.911 6.663 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000219840413 212115481 /nfs/dbraw/zinc/11/54/81/212115481.db2.gz LDHVINLZMFWTOR-UHFFFAOYSA-N 0 0 393.870 5.736 40 30 GKEBRN C=CCSc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 ZINC000219799433 212114074 /nfs/dbraw/zinc/11/40/74/212114074.db2.gz JQBOAUSZNWBYQR-UHFFFAOYSA-N 0 0 377.962 5.281 40 30 GKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000004535706 212079387 /nfs/dbraw/zinc/07/93/87/212079387.db2.gz PEDQZAYYCYICDC-OFNKIYASSA-N 0 0 394.540 5.158 40 30 GKEBRN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc(C)c(C)c2c1=O ZINC000006169428 212081318 /nfs/dbraw/zinc/08/13/18/212081318.db2.gz RNXFYCYBHSWSMB-UHFFFAOYSA-N 0 0 398.597 5.851 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1 ZINC000004523855 212065445 /nfs/dbraw/zinc/06/54/45/212065445.db2.gz ZUKJWRRRUZKGSL-MPIQAULUSA-N 0 0 378.497 5.242 40 30 GKEBRN C=C1C(=O)c2cc3c(cc2C(=O)C1C)c(-c1ccccc1)oc3-c1ccccc1 ZINC000001581892 203915116 /nfs/dbraw/zinc/91/51/16/203915116.db2.gz VQPZBGCVGJXMAL-UHFFFAOYSA-N 0 0 378.427 6.482 40 30 GKEBRN N#C[C@@]12CCCC[C@@H]1C(c1ccccc1)[C@@H]1CCCC[C@]1(C#N)N2c1ccccc1 ZINC000002250557 203932304 /nfs/dbraw/zinc/93/23/04/203932304.db2.gz KTRYHAULWNUHQF-KHCVRNMTSA-N 0 0 395.550 6.196 40 30 GKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3)cc1)N2 ZINC000004181634 204031474 /nfs/dbraw/zinc/03/14/74/204031474.db2.gz VPIGVRSDCDFOAW-NACLWLQGSA-N 0 0 398.937 7.226 40 30 GKEBRN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccccn4)c3c2C1 ZINC000004953886 204095723 /nfs/dbraw/zinc/09/57/23/204095723.db2.gz GDKLXWFRLSVLEU-QTYGBZKPSA-N 0 0 379.533 5.073 40 30 GKEBRN CCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(-c3ccccc3)cc2)cc1 ZINC000005707764 204147814 /nfs/dbraw/zinc/14/78/14/204147814.db2.gz CZUZXZFNKKTRSE-MOHJPFBDSA-N 0 0 397.474 5.877 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 ZINC000005739669 204150182 /nfs/dbraw/zinc/15/01/82/204150182.db2.gz JIIZUKOPZXCTIA-CVKSISIWSA-N 0 0 383.451 5.180 40 30 GKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000005376578 204129129 /nfs/dbraw/zinc/12/91/29/204129129.db2.gz JXRWGXZWWRDOPG-XDHOZWIPSA-N 0 0 394.883 5.800 40 30 GKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccs1 ZINC000005376772 204129876 /nfs/dbraw/zinc/12/98/76/204129876.db2.gz OKCNBHBPDVWSNH-KPKJPENVSA-N 0 0 388.823 5.312 40 30 GKEBRN COc1ccc(O)c(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 ZINC000005417171 204130103 /nfs/dbraw/zinc/13/01/03/204130103.db2.gz ZQUHWWVSUKWHKK-WYMPLXKRSA-N 0 0 392.842 5.921 40 30 GKEBRN COc1ccc(/N=C2/S/C(=C/c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000005513497 204137050 /nfs/dbraw/zinc/13/70/50/204137050.db2.gz MOPURGOFJQGFKO-BUUFFXLRSA-N 0 0 386.476 5.504 40 30 GKEBRN Cc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1ccccc1 ZINC000005540839 204138927 /nfs/dbraw/zinc/13/89/27/204138927.db2.gz BOZXAGHXEHLQFU-WGOQTCKBSA-N 0 0 380.447 5.857 40 30 GKEBRN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000005616722 204142975 /nfs/dbraw/zinc/14/29/75/204142975.db2.gz SDJSDWKEZLFCBM-MSUUIHNZSA-N 0 0 377.443 5.879 40 30 GKEBRN CCc1ccccc1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N ZINC000035288591 204145608 /nfs/dbraw/zinc/14/56/08/204145608.db2.gz CBWVHFSSJCVAFJ-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cc1cc(I)cc(/C=N/c2ccc3ccccc3c2)c1O ZINC000006424907 204178227 /nfs/dbraw/zinc/17/82/27/204178227.db2.gz BQXFUGZTRACEJD-RGVLZGJSSA-N 0 0 387.220 5.209 40 30 GKEBRN N#Cc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009200049 204302414 /nfs/dbraw/zinc/30/24/14/204302414.db2.gz QXUZYZXKTNWEIN-UHFFFAOYSA-N 0 0 383.476 5.414 40 30 GKEBRN CC(=C\c1ccccc1)/C=C1/S/C(=N\c2cc(Cl)cc(Cl)c2)NC1=O ZINC000012032483 204368945 /nfs/dbraw/zinc/36/89/45/204368945.db2.gz GOVDXADQNGZDMM-RZKYTRJLSA-N 0 0 389.307 5.831 40 30 GKEBRN C=CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000216821945 209176748 /nfs/dbraw/zinc/17/67/48/209176748.db2.gz VLOIIDKQDFZQKL-UHFFFAOYSA-N 0 0 381.255 5.314 40 30 GKEBRN N#Cc1cc(N)c(Oc2ccccc2Cl)n1Cc1ccc(Cl)cc1Cl ZINC000225881355 211932806 /nfs/dbraw/zinc/93/28/06/211932806.db2.gz RUTKKVQBKLAMRR-UHFFFAOYSA-N 0 0 392.673 5.743 40 30 GKEBRN CC(C)[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1 ZINC000004866072 209140603 /nfs/dbraw/zinc/14/06/03/209140603.db2.gz YXGCKQSCISYXIL-KUXCXQDQSA-N 0 0 395.546 5.517 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000004474571 209137333 /nfs/dbraw/zinc/13/73/33/209137333.db2.gz MECHNRXZTMCUDQ-VLOQVYPSSA-N 0 0 396.659 7.641 40 30 world GKEBRN Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000004159515 209121425 /nfs/dbraw/zinc/12/14/25/209121425.db2.gz IPDOZXNMKSRPHL-VMWROYDRSA-N 0 0 399.519 5.076 40 30 GKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000000956421 209113270 /nfs/dbraw/zinc/11/32/70/209113270.db2.gz BIEVWKDJSKJEMH-ZPMKCOPCSA-N 0 0 391.323 5.703 40 30 GKEBRN N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 ZINC000226361857 205690521 /nfs/dbraw/zinc/69/05/21/205690521.db2.gz URXOGQKNNSPGDW-UHFFFAOYSA-N 0 0 391.770 5.023 40 30 GKEBRN Cc1ccc2oc(-c3ccc(C)c(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000003001416 205722000 /nfs/dbraw/zinc/72/20/00/205722000.db2.gz HCWUQQBBAJUSMI-MLZQUUFASA-N 0 0 397.434 6.436 40 30 GKEBRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C#N ZINC000225752428 206072455 /nfs/dbraw/zinc/07/24/55/206072455.db2.gz WXRFPGZVHJOWQF-UHFFFAOYSA-N 0 0 389.282 5.324 40 30 GKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 ZINC000225682207 206065686 /nfs/dbraw/zinc/06/56/86/206065686.db2.gz MCEHGKMNAYZHQF-MRXNPFEDSA-N 0 0 380.463 5.325 40 30 GKEBRN COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl ZINC000225883513 206084082 /nfs/dbraw/zinc/08/40/82/206084082.db2.gz VEPZUDVLFWVKOT-UHFFFAOYSA-N 0 0 388.254 5.098 40 30 GKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000002793023 206212722 /nfs/dbraw/zinc/21/27/22/206212722.db2.gz AZRRHDBUVSWYDW-WGOQTCKBSA-N 0 0 391.430 6.013 40 30 GKEBRN C=C1CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000029134692 206254655 /nfs/dbraw/zinc/25/46/55/206254655.db2.gz XXKXCRGLMFAXTK-BEIJQFPSSA-N 0 0 382.500 5.252 40 30 biogenic,in-vitro GKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000219801969 206258731 /nfs/dbraw/zinc/25/87/31/206258731.db2.gz XXCMMVGYSDZEQO-UHFFFAOYSA-N 0 0 391.561 6.509 40 30 GKEBRN C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219791970 206259396 /nfs/dbraw/zinc/25/93/96/206259396.db2.gz FXQJMDDNCJHUIB-HXUWFJFHSA-N 0 0 392.543 5.369 40 30 GKEBRN COc1ccc([C@H](CC#N)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1OC ZINC000001084370 206351069 /nfs/dbraw/zinc/35/10/69/206351069.db2.gz HSFRTCRSRLGYCS-GOEBONIOSA-N 0 0 375.255 5.315 40 30 GKEBRN O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000001391614 206378609 /nfs/dbraw/zinc/37/86/09/206378609.db2.gz QHZJPUADIYYWMJ-AATRIKPKSA-N 0 0 378.202 5.896 40 30 GKEBRN COc1ccccc1[C@@H]1CCCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001725322 206390299 /nfs/dbraw/zinc/39/02/99/206390299.db2.gz HIXCEEZJIGIVRB-UNMCSNQZSA-N 0 0 388.529 5.216 40 30 GKEBRN Cc1onc(CCCC2(C)OCCO2)c1CC1=C2CCC(C)=C[C@@]2(C)CCC1=O ZINC000001762057 206391956 /nfs/dbraw/zinc/39/19/56/206391956.db2.gz QDOHAQQOSRZSCH-HSZRJFAPSA-N 0 0 399.531 5.017 40 30 GKEBRN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(C)c1Cl ZINC000001959805 206395613 /nfs/dbraw/zinc/39/56/13/206395613.db2.gz VXPZWQCLQKQEOW-NSHDSACASA-N 0 0 388.920 5.032 40 30 GKEBRN CN(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000002051917 211512016 /nfs/dbraw/zinc/51/20/16/211512016.db2.gz PFNZZIRDFKJKGJ-ZVHZXABRSA-N 0 0 375.859 5.965 40 30 GKEBRN Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)ccc4O)ccc3Cl)nc2c1 ZINC000003049944 206455536 /nfs/dbraw/zinc/45/55/36/206455536.db2.gz CHYBEZIAYSZFSP-BHGWPJFGSA-N 0 0 397.261 6.566 40 30 GKEBRN Cc1cccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1C ZINC000001223960 211503930 /nfs/dbraw/zinc/50/39/30/211503930.db2.gz NFDIMYUTOCYZEC-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CCOc1ccc(N2CCC/C2=N\c2ccc(Br)cc2C#N)cc1 ZINC000004601191 206534519 /nfs/dbraw/zinc/53/45/19/206534519.db2.gz STSJJSZMZUKSML-ZBJSNUHESA-N 0 0 384.277 5.050 40 30 GKEBRN CCCCCC[C@@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000005031730 206586328 /nfs/dbraw/zinc/58/63/28/206586328.db2.gz HRLITXPCTNOQNH-WEHFJGPMSA-N 0 0 394.562 7.320 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c[nH]c2ccccc21 ZINC000000809294 211491071 /nfs/dbraw/zinc/49/10/71/211491071.db2.gz MEIKTGXCOHAESK-AREMUKBSSA-N 0 0 392.502 6.631 40 30 GKEBRN COc1cc(C#N)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 ZINC000226364167 211481184 /nfs/dbraw/zinc/48/11/84/211481184.db2.gz ULNMBVSODWXECF-UHFFFAOYSA-N 0 0 387.060 5.215 40 30 GKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000005376576 206609205 /nfs/dbraw/zinc/60/92/05/206609205.db2.gz BHGMSHASZFUEAY-LDADJPATSA-N 0 0 380.856 5.492 40 30 GKEBRN C/C(=N/N=C(/C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005412018 206610851 /nfs/dbraw/zinc/61/08/51/206610851.db2.gz LCLPMJFCNUVGJT-DHQAUHHZSA-N 0 0 388.514 7.254 40 30 GKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000005649213 206622403 /nfs/dbraw/zinc/62/24/03/206622403.db2.gz HMYNUBOAGBGYDT-JYRVWZFOSA-N 0 0 383.274 6.469 40 30 GKEBRN FC(F)(F)c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000005705093 206625171 /nfs/dbraw/zinc/62/51/71/206625171.db2.gz VLIBQVOSMRGKBJ-KSEXSDGBSA-N 0 0 387.386 6.021 40 30 GKEBRN O/N=C1/CCC=CCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100977149 211394898 /nfs/dbraw/zinc/39/48/98/211394898.db2.gz QOBHJLJXLNHTCW-BFMGTPNZSA-N 0 0 390.508 6.430 40 30 GKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000006199884 206644204 /nfs/dbraw/zinc/64/42/04/206644204.db2.gz OAVBOSZXKMUFMO-INIZCTEOSA-N 0 0 386.520 5.515 40 30 GKEBRN CCCCCCCCCCCCCCCc1ccc(OC[C@H](O)CO)cc1 ZINC000073333667 211127306 /nfs/dbraw/zinc/12/73/06/211127306.db2.gz DVARIDCYJRKBHF-HSZRJFAPSA-N 0 0 378.597 6.052 40 30 GKEBRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000069372828 211035963 /nfs/dbraw/zinc/03/59/63/211035963.db2.gz DSYKZZSJNICPPN-IOMROCGXSA-N 0 0 376.475 5.365 40 30 GKEBRN CCc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(CC)cc2)cc1 ZINC000016161329 207073589 /nfs/dbraw/zinc/07/35/89/207073589.db2.gz XJIUFHJFXODPSI-QHLIWTNDSA-N 0 0 385.338 6.728 40 30 GKEBRN Fc1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N\c2ccccc2)cc1 ZINC000017862281 207091024 /nfs/dbraw/zinc/09/10/24/207091024.db2.gz BHEHJBMUWWKGNG-CBAIGBLSSA-N 0 0 391.496 6.124 40 30 GKEBRN N#Cc1c(SCc2ccc(F)cc2)nc(-c2ccco2)cc1C(F)(F)F ZINC000019074812 207101453 /nfs/dbraw/zinc/10/14/53/207101453.db2.gz AIOQTLYPWAVMOF-UHFFFAOYSA-N 0 0 378.350 5.663 40 30 GKEBRN COc1ccccc1Oc1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000409099761 532953051 /nfs/dbraw/zinc/95/30/51/532953051.db2.gz UAGVUHRRMOYVAV-FOCLMDBBSA-N 0 0 393.870 6.340 40 30 GKEBRN Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000069372838 207469371 /nfs/dbraw/zinc/46/93/71/207469371.db2.gz HGTLEWYPYWLQSE-PWRODBHTSA-N 0 0 376.475 5.365 40 30 GKEBRN N#Cc1cnc2c(Cl)cc([N+](=O)[O-])cc2c1Nc1ccc(F)c(Cl)c1 ZINC000095937959 208240490 /nfs/dbraw/zinc/24/04/90/208240490.db2.gz LFDNSZIZKAKRBT-UHFFFAOYSA-N 0 0 377.162 5.204 40 30 GKEBRN COc1cccc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000000808983 208481568 /nfs/dbraw/zinc/48/15/68/208481568.db2.gz CPXVYLXTJRYVOU-WYMPLXKRSA-N 0 0 392.842 5.921 40 30 GKEBRN N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000000894597 208486192 /nfs/dbraw/zinc/48/61/92/208486192.db2.gz LWPUTLBLSWNHKC-UHFFFAOYSA-N 0 0 393.786 5.164 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2c3ccccc3[nH]c2-c2ccccc2)SC1=S ZINC000004713693 208546233 /nfs/dbraw/zinc/54/62/33/208546233.db2.gz CYPRLVSURUZVKO-AQTBWJFISA-N 0 0 376.506 5.222 40 30 GKEBRN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C)c1C ZINC000002677111 208816160 /nfs/dbraw/zinc/81/61/60/208816160.db2.gz LHUJBXBANOVYNH-XDOYNYLZSA-N 0 0 399.357 6.014 40 30 GKEBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C#N)c1 ZINC000225683838 208968045 /nfs/dbraw/zinc/96/80/45/208968045.db2.gz PZWQJGLQMXHWIB-INIZCTEOSA-N 0 0 380.463 5.325 40 30 GKEBRN Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCCC2)c1 ZINC000225758893 208973310 /nfs/dbraw/zinc/97/33/10/208973310.db2.gz CKJKZGAAHIIXQR-UHFFFAOYSA-N 0 0 376.500 5.495 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N ZINC000225755933 208973796 /nfs/dbraw/zinc/97/37/96/208973796.db2.gz UOFHSLWTOLMGME-UHFFFAOYSA-N 0 0 376.500 5.578 40 30 GKEBRN CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 ZINC000225761512 208975573 /nfs/dbraw/zinc/97/55/73/208975573.db2.gz FWWWXGBOZIRJDQ-UHFFFAOYSA-N 0 0 380.463 5.327 40 30 GKEBRN Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cc([C@H]3CO3)c2c1 ZINC000004824101 220770491 /nfs/dbraw/zinc/77/04/91/220770491.db2.gz NUWLCHYCYQISKD-MRXNPFEDSA-N 0 0 385.077 6.587 40 30 GKEBRN CCc1cc2ccccc2nc1SCC(=O)Nc1sc(C)c(C)c1C#N ZINC000004849234 220776222 /nfs/dbraw/zinc/77/62/22/220776222.db2.gz YQEPGWSFIJUNJG-UHFFFAOYSA-N 0 0 381.526 5.078 40 30 GKEBRN CCc1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 ZINC000004848938 220776311 /nfs/dbraw/zinc/77/63/11/220776311.db2.gz UZLZRZLHVJQJMS-UHFFFAOYSA-N 0 0 381.888 5.053 40 30 GKEBRN CCOc1cccc(/C=N/c2cc(-c3nc4ccccc4s3)ccc2C)c1O ZINC000005475938 220874800 /nfs/dbraw/zinc/87/48/00/220874800.db2.gz MQEFEDIWUMOZKU-ZVHZXABRSA-N 0 0 388.492 6.127 40 30 GKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000408950505 533216011 /nfs/dbraw/zinc/21/60/11/533216011.db2.gz FTWWQLXNUURION-OVVQPSECSA-N 0 0 392.458 6.650 40 30 GKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1 ZINC000008410933 221040975 /nfs/dbraw/zinc/04/09/75/221040975.db2.gz PCHPAZVSQRQCCI-PXNMLYILSA-N 0 0 377.296 5.502 40 30 GKEBRN Cc1c(C#N)c2nc3ccccc3n2c(N[C@H](C)c2ccccc2)c1CCC(C)C ZINC000016249428 221359709 /nfs/dbraw/zinc/35/97/09/221359709.db2.gz QWEACKPYWGXTHZ-LJQANCHMSA-N 0 0 396.538 6.429 40 30 GKEBRN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC4(CCCC4)CC3=O)c2c1 ZINC000408767957 533231316 /nfs/dbraw/zinc/23/13/16/533231316.db2.gz RMCZOOPOQGWMEK-UHFFFAOYSA-N 0 0 399.490 5.719 40 30 GKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3cccc(Br)c3)sc1CC2 ZINC000408721957 533239777 /nfs/dbraw/zinc/23/97/77/533239777.db2.gz BRFKFSAPWFJWRP-SRZZPIQSSA-N 0 0 399.313 5.430 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c(C)c1 ZINC000408907318 533239830 /nfs/dbraw/zinc/23/98/30/533239830.db2.gz BAIJZNNPDAHBOB-DYEBMTOPSA-N 0 0 380.513 5.324 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1C ZINC000408916416 533240944 /nfs/dbraw/zinc/24/09/44/533240944.db2.gz XGPQIWVVQRJJBU-DYEBMTOPSA-N 0 0 380.513 5.324 40 30 GKEBRN COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 ZINC000409120276 533250738 /nfs/dbraw/zinc/25/07/38/533250738.db2.gz VGPDJJHVQLTREH-XKZIYDEJSA-N 0 0 398.871 6.159 40 30 GKEBRN COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409375494 533251557 /nfs/dbraw/zinc/25/15/57/533251557.db2.gz LOZUAXVDLUDPED-MYYYXRDXSA-N 0 0 388.467 5.080 40 30 GKEBRN COc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409100412 533338365 /nfs/dbraw/zinc/33/83/65/533338365.db2.gz NCSPZMSVBLESBN-KSEXSDGBSA-N 0 0 389.333 5.221 40 30 GKEBRN COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408528149 533339499 /nfs/dbraw/zinc/33/94/99/533339499.db2.gz CSCYOGIDQYZPBM-UNOMPAQXSA-N 0 0 394.883 5.393 40 30 GKEBRN COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2C)NC1=O ZINC000408723869 533339908 /nfs/dbraw/zinc/33/99/08/533339908.db2.gz XHCYOBIOPBUMSP-FYJGNVAPSA-N 0 0 388.492 5.357 40 30 GKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000408874213 533391637 /nfs/dbraw/zinc/39/16/37/533391637.db2.gz ZZRQVCYWAYZPIF-PXNMLYILSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408871650 533391812 /nfs/dbraw/zinc/39/18/12/533391812.db2.gz IDRSHQHPXKPHTF-UYRXBGFRSA-N 0 0 380.513 5.193 40 30 GKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 ZINC000409211664 533482594 /nfs/dbraw/zinc/48/25/94/533482594.db2.gz MNCAXFKZDIIDCB-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199304 533482710 /nfs/dbraw/zinc/48/27/10/533482710.db2.gz CETATOFNFIBXCK-ZVHZXABRSA-N 0 0 390.439 5.550 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 ZINC000409211800 533483198 /nfs/dbraw/zinc/48/31/98/533483198.db2.gz NCAMSOGGHJTJPF-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 ZINC000409200626 533483450 /nfs/dbraw/zinc/48/34/50/533483450.db2.gz IZZULSJBPMWSDK-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN COc1cc(C)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC ZINC000408549829 533565154 /nfs/dbraw/zinc/56/51/54/533565154.db2.gz ZWDYHPAFWMYDFR-ZVHZXABRSA-N 0 0 381.859 6.209 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 ZINC000408866554 533606741 /nfs/dbraw/zinc/60/67/41/533606741.db2.gz HECLBORAOHEZMI-LXMMTSMGSA-N 0 0 392.524 5.575 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 ZINC000408850494 533607786 /nfs/dbraw/zinc/60/77/86/533607786.db2.gz OCTCQWCMLNVXAR-QOWTXMESSA-N 0 0 377.513 5.264 40 30 GKEBRN O/N=C1/CCCCCCCCCC[C@H]1N1CCN(c2ccccc2Cl)CC1 ZINC000100950503 136189384 /nfs/dbraw/zinc/18/93/84/136189384.db2.gz XNOULDUJRSBNPK-JZBNPYPUSA-N 0 0 391.987 5.575 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)c1 ZINC000409068188 533677218 /nfs/dbraw/zinc/67/72/18/533677218.db2.gz SZVNLRPJKZBHBK-YZSQISJMSA-N 0 0 390.458 5.977 40 30 GKEBRN Clc1nc2ccccc2cc1/C=N/N=C/c1cc2ccccc2nc1Cl ZINC000026779983 221645441 /nfs/dbraw/zinc/64/54/41/221645441.db2.gz KSSMOLMXZXEDBQ-ASIDMNOUSA-N 0 0 379.250 5.543 40 30 GKEBRN CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OCC ZINC000043103109 221947292 /nfs/dbraw/zinc/94/72/92/221947292.db2.gz FMFKQXKYWWJNJS-UHFFFAOYSA-N 0 0 383.573 5.106 40 30 in-vitro GKEBRN COc1cccc2c(C=C3C(=O)CC4(CCCC4)CC3=O)c(-c3ccccc3)[nH]c21 ZINC000408847908 533832765 /nfs/dbraw/zinc/83/27/65/533832765.db2.gz VTNFTKYKNMFHBY-UHFFFAOYSA-N 0 0 399.490 5.719 40 30 GKEBRN COc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408737531 533833034 /nfs/dbraw/zinc/83/30/34/533833034.db2.gz CTTRJSHSRIDBKE-SXGWCWSVSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(C)[nH]c3ccccc32)S1 ZINC000408883938 533867715 /nfs/dbraw/zinc/86/77/15/533867715.db2.gz SHYRFHZTVIAXBR-ZDLGFXPLSA-N 0 0 397.887 5.030 40 30 GKEBRN Cc1c(Cl)cccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409225765 533876966 /nfs/dbraw/zinc/87/69/66/533876966.db2.gz KXRCERFJJAYKRT-WGARJPEWSA-N 0 0 376.862 6.541 40 30 GKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409208029 533877011 /nfs/dbraw/zinc/87/70/11/533877011.db2.gz AJPHOKYIQFNXNK-QRVIBDJDSA-N 0 0 380.831 5.886 40 30 GKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000100288605 533951682 /nfs/dbraw/zinc/95/16/82/533951682.db2.gz QSDASSCGQJGAAG-BLOQEJBCSA-N 0 0 392.524 5.632 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409022520 533965545 /nfs/dbraw/zinc/96/55/45/533965545.db2.gz LXHXJZMCFRQMTP-CIAFOILYSA-N 0 0 387.913 6.090 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1F ZINC000409095876 534014024 /nfs/dbraw/zinc/01/40/24/534014024.db2.gz INOKCEFGJHRPQJ-KIBLKLHPSA-N 0 0 376.357 5.093 40 30 GKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1cccc2ccccc21 ZINC000408591262 534014492 /nfs/dbraw/zinc/01/44/92/534014492.db2.gz SKGZVEANNCYHPV-MFKUBSTISA-N 0 0 379.467 5.570 40 30 GKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cc(Cl)ccc1C ZINC000408591786 534014666 /nfs/dbraw/zinc/01/46/66/534014666.db2.gz VCTGTWXFADURGK-FSJBWODESA-N 0 0 394.931 6.112 40 30 GKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966265 534014822 /nfs/dbraw/zinc/01/48/22/534014822.db2.gz KZAQOHZNJGWBDR-ZVHZXABRSA-N 0 0 391.475 5.141 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(F)cc1 ZINC000409073829 534015309 /nfs/dbraw/zinc/01/53/09/534015309.db2.gz IXJMVILXDVXGNC-KIBLKLHPSA-N 0 0 376.357 5.093 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116498 534016329 /nfs/dbraw/zinc/01/63/29/534016329.db2.gz OROSSGYLGQICNC-ZMOGYAJESA-N 0 0 395.344 6.533 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1C ZINC000408591821 534016545 /nfs/dbraw/zinc/01/65/45/534016545.db2.gz KPPHXQSTIPXHLL-FSJBWODESA-N 0 0 397.862 5.515 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1C ZINC000408595082 534016580 /nfs/dbraw/zinc/01/65/80/534016580.db2.gz VOHLJSJSZMVJBI-YDZHTSKRSA-N 0 0 377.444 5.170 40 30 GKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116754 534016675 /nfs/dbraw/zinc/01/66/75/534016675.db2.gz WMMIOWRSPJMHAK-MTDXEUNCSA-N 0 0 378.519 7.129 40 30 GKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967017 534016712 /nfs/dbraw/zinc/01/67/12/534016712.db2.gz OSAMCHWNQBHSFV-CVKSISIWSA-N 0 0 378.947 7.104 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408593080 534016749 /nfs/dbraw/zinc/01/67/49/534016749.db2.gz OVJLFSMKWKBJCN-JVWAILMASA-N 0 0 385.511 5.814 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738111 534016756 /nfs/dbraw/zinc/01/67/56/534016756.db2.gz OLIXDKNLFIMYPI-FOKLQQMPSA-N 0 0 377.702 6.805 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408743245 534016789 /nfs/dbraw/zinc/01/67/89/534016789.db2.gz ZRKPNDZWSNOJDJ-OEAKJJBVSA-N 0 0 376.460 5.127 40 30 GKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738148 534016976 /nfs/dbraw/zinc/01/69/76/534016976.db2.gz QPKLYCLJAABRBL-WPWMEQJKSA-N 0 0 384.910 7.165 40 30 GKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740461 534016987 /nfs/dbraw/zinc/01/69/87/534016987.db2.gz KWBMTJVVPITGEX-TURZUDJPSA-N 0 0 393.534 6.578 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408590760 534017257 /nfs/dbraw/zinc/01/72/57/534017257.db2.gz HTUOXBJNDKLNPD-BRJLIKDPSA-N 0 0 398.293 5.823 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020761721 534077492 /nfs/dbraw/zinc/07/74/92/534077492.db2.gz COHPBNXNNBCLOU-FSJBWODESA-N 0 0 375.255 5.386 40 30 GKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(C)c3)cc2)cc1 ZINC000408805383 534083806 /nfs/dbraw/zinc/08/38/06/534083806.db2.gz AQKPASYLMKEZCP-MYYYXRDXSA-N 0 0 388.467 5.080 40 30 GKEBRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)oc2c(C)c1 ZINC000408628370 534129570 /nfs/dbraw/zinc/12/95/70/534129570.db2.gz RXGDZFWQSNDVTO-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408914167 534144396 /nfs/dbraw/zinc/14/43/96/534144396.db2.gz OGZJYSYUHMEMPB-UHFFFAOYSA-N 0 0 386.476 5.107 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(C)cc3C)c3ccccc32)o1 ZINC000409392745 534164504 /nfs/dbraw/zinc/16/45/04/534164504.db2.gz NKBBGPXRSHFELZ-MXAYSNPKSA-N 0 0 386.451 5.437 40 30 GKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1 ZINC000408801239 534170740 /nfs/dbraw/zinc/17/07/40/534170740.db2.gz SQQLCYHFKXYTKP-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN Cc1ccc(-c2oc(/N=C/c3cccs3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409358216 534235297 /nfs/dbraw/zinc/23/52/97/534235297.db2.gz KSYWQGASAFERPQ-CVKSISIWSA-N 0 0 382.488 6.914 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408866582 534248096 /nfs/dbraw/zinc/24/80/96/534248096.db2.gz HEZXUUVVKVTWGX-SOMZIKAXSA-N 0 0 390.552 6.178 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2Cc2ccccc2)cc1 ZINC000408915934 534251812 /nfs/dbraw/zinc/25/18/12/534251812.db2.gz SBFKBPCQRFHVCD-OQNHBUHUSA-N 0 0 398.531 6.108 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2C2CCCCC2)cc1 ZINC000408915903 534251845 /nfs/dbraw/zinc/25/18/45/534251845.db2.gz RPZVYCNDIMZHOY-FTJNEJEMSA-N 0 0 390.552 6.240 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409214952 534251883 /nfs/dbraw/zinc/25/18/83/534251883.db2.gz YUWIFJUNZRJUGM-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1C ZINC000409209071 534252001 /nfs/dbraw/zinc/25/20/01/534252001.db2.gz FHLRFGLJFFYZNB-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2C)cc1 ZINC000408916822 534252013 /nfs/dbraw/zinc/25/20/13/534252013.db2.gz ZJOAZFHCTXIZFE-DYEBMTOPSA-N 0 0 380.513 5.264 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000408912858 534252069 /nfs/dbraw/zinc/25/20/69/534252069.db2.gz LZGVCOAKTUPXMD-FOLIBTTPSA-N 0 0 395.484 5.163 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1Cl ZINC000409209112 534252090 /nfs/dbraw/zinc/25/20/90/534252090.db2.gz GBONCRIMQFQLGT-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408916777 534252092 /nfs/dbraw/zinc/25/20/92/534252092.db2.gz ZCQBQBWWCPAFCA-FTJNEJEMSA-N 0 0 384.504 5.799 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2CC(C)C)cc1 ZINC000408916802 534252125 /nfs/dbraw/zinc/25/21/25/534252125.db2.gz ZEXOQVNOLAXGLP-QMSJJHEMSA-N 0 0 392.568 6.378 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000408916788 534252155 /nfs/dbraw/zinc/25/21/55/534252155.db2.gz ZCUMJGLUVHOQHD-CRUFNBOHSA-N 0 0 384.932 5.908 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1C ZINC000409253283 534252748 /nfs/dbraw/zinc/25/27/48/534252748.db2.gz TVWSCYDJGHXZEC-BUVRLJJBSA-N 0 0 375.493 5.992 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(OC)cc3)c3ccccc32)c1 ZINC000408545553 534267583 /nfs/dbraw/zinc/26/75/83/534267583.db2.gz ZTVKEGNBCXDCID-YSMPRRRNSA-N 0 0 398.462 5.235 40 30 GKEBRN BrC(/C=N/N(c1ccccc1)c1ccccc1)=C/c1ccccc1 ZINC000033611853 518206686 /nfs/dbraw/zinc/20/66/86/518206686.db2.gz ACRGHOUKDZLELR-MRDIXRINSA-N 0 0 377.285 6.247 40 30 GKEBRN Brc1ccc(-c2csc(N=NC3CCCc4ccccc43)n2)cc1 ZINC000100055308 518208546 /nfs/dbraw/zinc/20/85/46/518208546.db2.gz LTXQYKRWEKHJQY-XLNRJJMWSA-N 0 0 398.329 5.725 40 30 GKEBRN Brc1ccc2c(c1)Cc1cc(/N=C/c3ccc4c(c3)OCO4)ccc1-2 ZINC000018115385 518217120 /nfs/dbraw/zinc/21/71/20/518217120.db2.gz MYXUNBAEBOTUEL-FOKLQQMPSA-N 0 0 392.252 5.500 40 30 GKEBRN Brc1ccccc1N=NC(=CCc1ccccc1)c1ccccc1 ZINC000038321411 518224718 /nfs/dbraw/zinc/22/47/18/518224718.db2.gz ZHGFVRLNWNOACK-RKQLCQROSA-N 0 0 377.285 5.979 40 30 GKEBRN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000015012793 518264473 /nfs/dbraw/zinc/26/44/73/518264473.db2.gz FKLCSLHXBQLWSA-ZHZULCJRSA-N 0 0 392.524 5.061 40 30 GKEBRN C(=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1)\c1ccccc1 ZINC000104058466 518380875 /nfs/dbraw/zinc/38/08/75/518380875.db2.gz XPCLIJWBFYCJLR-RRAHZORUSA-N 0 0 376.503 6.644 40 30 GKEBRN CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000102925758 518423505 /nfs/dbraw/zinc/42/35/05/518423505.db2.gz LUYLCQPFMVJRNA-IMVLJIQESA-N 0 0 396.490 5.620 40 30 GKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000032100463 518432424 /nfs/dbraw/zinc/43/24/24/518432424.db2.gz VGSUSVPBOQOPHM-PKNBQFBNSA-N 0 0 384.195 5.667 40 30 GKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000033491758 518450623 /nfs/dbraw/zinc/45/06/23/518450623.db2.gz PSUJRZRJLLMSJN-UYOCIXKTSA-N 0 0 381.612 6.502 40 30 GKEBRN C/N=C(/SCc1ccccc1)N(C)c1cnc(SCc2ccccc2)s1 ZINC000006317263 518571408 /nfs/dbraw/zinc/57/14/08/518571408.db2.gz YMTXHVWHFVGHRC-XUTLUUPISA-N 0 0 399.610 5.791 40 30 GKEBRN C=C(C)c1cc(C(=O)OC)c(OCc2ccccc2)cc1OCc1ccccc1 ZINC000094986140 518646436 /nfs/dbraw/zinc/64/64/36/518646436.db2.gz KERQOIXKIUJGQE-UHFFFAOYSA-N 0 0 388.463 5.664 40 30 GKEBRN C=C1[C@@H]2C[C@@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C ZINC000068564066 518668744 /nfs/dbraw/zinc/66/87/44/518668744.db2.gz KERZPJNYRQANFB-KLJDGLGGSA-N 0 0 376.543 7.504 40 30 GKEBRN C=C1[C@H]2C[C@H](C(=C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)C1(C)C ZINC000068564068 518669137 /nfs/dbraw/zinc/66/91/37/518669137.db2.gz KERZPJNYRQANFB-SLQPCKNISA-N 0 0 376.543 7.504 40 30 GKEBRN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1cccc2ccccc21 ZINC000020417629 518797506 /nfs/dbraw/zinc/79/75/06/518797506.db2.gz SCJAXTOWNSKVNQ-UHFFFAOYSA-N 0 0 398.466 5.418 40 30 GKEBRN C=CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224717106 518815529 /nfs/dbraw/zinc/81/55/29/518815529.db2.gz AQHJKYXQYJVNNX-UHFFFAOYSA-N 0 0 376.692 5.028 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223565030 518842752 /nfs/dbraw/zinc/84/27/52/518842752.db2.gz AJADIHRBHGYOLM-VUFYJBQKSA-N 0 0 384.545 5.410 40 30 GKEBRN C=CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000226334191 518967883 /nfs/dbraw/zinc/96/78/83/518967883.db2.gz ZCULLZQZJFGCGA-VMPITWQZSA-N 0 0 397.685 5.968 40 30 GKEBRN C=CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000226321925 518978004 /nfs/dbraw/zinc/97/80/04/518978004.db2.gz ZVWFFQYENJTWKI-UHFFFAOYSA-N 0 0 389.637 5.708 40 30 GKEBRN C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OCC)o1 ZINC000028236788 519146122 /nfs/dbraw/zinc/14/61/22/519146122.db2.gz PWVJMNIABAKKRT-UHFFFAOYSA-N 0 0 377.440 5.238 40 30 GKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 ZINC000014088252 519185025 /nfs/dbraw/zinc/18/50/25/519185025.db2.gz SJOUJIMIFYOVSM-UHFFFAOYSA-N 0 0 389.883 5.128 40 30 GKEBRN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(Cl)cc1 ZINC000016788854 519236954 /nfs/dbraw/zinc/23/69/54/519236954.db2.gz NFGXPDHCAJPJHM-UHFFFAOYSA-N 0 0 377.847 5.355 40 30 GKEBRN C=CCn1c(SCc2cccc(F)c2)nnc1[C@@H](C)Oc1ccc(C)cc1 ZINC000013866866 519243058 /nfs/dbraw/zinc/24/30/58/519243058.db2.gz BJORMEIHBJGBKK-MRXNPFEDSA-N 0 0 383.492 5.344 40 30 GKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccccc1 ZINC000013850312 519245894 /nfs/dbraw/zinc/24/58/94/519245894.db2.gz QJUFTMYREHAJPP-HNNXBMFYSA-N 0 0 385.920 5.550 40 30 GKEBRN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccccc2C(F)(F)F)NC1=O ZINC000009494679 519348250 /nfs/dbraw/zinc/34/82/50/519348250.db2.gz OGCBAXBGSMUZBR-QKIOLIMFSA-N 0 0 388.414 5.543 40 30 GKEBRN CC(C)=N/N=C1\c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100080604 519445487 /nfs/dbraw/zinc/44/54/87/519445487.db2.gz AGSDZTBXEYDVJT-LCQNATCMSA-N 0 0 394.474 5.085 40 30 GKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000072228589 519445863 /nfs/dbraw/zinc/44/58/63/519445863.db2.gz YMTRBHCPIWTWRC-UHFFFAOYSA-N 0 0 394.544 6.097 40 30 GKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000072229769 519446109 /nfs/dbraw/zinc/44/61/09/519446109.db2.gz NRAHSTBDXANAJB-UHFFFAOYSA-N 0 0 393.299 5.663 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252694660 519645541 /nfs/dbraw/zinc/64/55/41/519645541.db2.gz NYOXRYYXRWJDKP-VRLGZSBUSA-N 0 0 384.648 7.597 40 30 biogenic GKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257345504 519648361 /nfs/dbraw/zinc/64/83/61/519648361.db2.gz XIWMRKFKSRYSIJ-IECHNTASSA-N 0 0 382.632 7.373 40 30 GKEBRN CC(C)N(Cc1ccccc1)C(=S)N/C(=N\c1ccccc1)c1ccccc1 ZINC000036293416 519658482 /nfs/dbraw/zinc/65/84/82/519658482.db2.gz QMIHZZRTLJYHSA-UHFFFAOYSA-N 0 0 387.552 5.550 40 30 GKEBRN CC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000100384259 519709235 /nfs/dbraw/zinc/70/92/35/519709235.db2.gz ZIVVOCCAMQODOK-ZVHZXABRSA-N 0 0 378.859 5.628 40 30 GKEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930610 519758251 /nfs/dbraw/zinc/75/82/51/519758251.db2.gz UJAUIJIBACQMCG-UKSDXMLSSA-N 0 0 398.465 5.238 40 30 GKEBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 ZINC000036056606 519825921 /nfs/dbraw/zinc/82/59/21/519825921.db2.gz LHTRLJFFJJYZCU-UHEYVCNGSA-N 0 0 390.523 5.957 40 30 GKEBRN CC(C)c1ccc(/C=N/c2c(-c3ccc(C(C)C)cc3)nc3n2CCS3)cc1 ZINC000012382919 519834311 /nfs/dbraw/zinc/83/43/11/519834311.db2.gz VMOHFEPMFAMKRR-MFKUBSTISA-N 0 0 389.568 6.653 40 30 GKEBRN CC(C)c1ccc(NN=C2c3cc(C(C)C)ccc3N(C3CSC3)C2=O)cc1 ZINC000223728959 519836694 /nfs/dbraw/zinc/83/66/94/519836694.db2.gz KNGRHJIKXJVOCB-LVWGJNHUSA-N 0 0 393.556 5.212 40 30 GKEBRN CCCC(=O)Nc1ccc(-c2csc(N=NC(C)c3ccccc3)n2)cc1 ZINC000006782919 519877564 /nfs/dbraw/zinc/87/75/64/519877564.db2.gz CVIHOGVRNUWVKI-BUVRLJJBSA-N 0 0 378.501 5.385 40 30 GKEBRN CCCC/N=C1/S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1CCCC ZINC000017084809 519886933 /nfs/dbraw/zinc/88/69/33/519886933.db2.gz AEHSYWUDWXGELP-LTZDOOBISA-N 0 0 384.467 5.578 40 30 GKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccccc1 ZINC000005492548 519947376 /nfs/dbraw/zinc/94/73/76/519947376.db2.gz RNOVUSNBUXKVQU-XKOBLCKKSA-N 0 0 375.343 7.445 40 30 GKEBRN CCCCCCC(=O)/C=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000017105358 519948867 /nfs/dbraw/zinc/94/88/67/519948867.db2.gz VAKQPAWUSSIBFA-SSZFMOIBSA-N 0 0 381.428 5.367 40 30 GKEBRN CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000068568982 519966015 /nfs/dbraw/zinc/96/60/15/519966015.db2.gz MZMRLBULAHTQEU-OCEACIFDSA-N 0 0 380.532 7.711 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)(CO)CO ZINC000103661862 519968599 /nfs/dbraw/zinc/96/85/99/519968599.db2.gz WAZOXQOFCQKLFT-QXMHVHEDSA-N 0 0 398.628 5.948 40 30 GKEBRN CCCCCCCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1OC ZINC000102998367 519978224 /nfs/dbraw/zinc/97/82/24/519978224.db2.gz LNQZLMNUJHLYNP-UHFFFAOYSA-N 0 0 396.531 6.027 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000100529981 519983973 /nfs/dbraw/zinc/98/39/73/519983973.db2.gz NZTXATHBOLIZPW-UHFFFAOYSA-N 0 0 384.520 6.391 40 30 GKEBRN CCCCCCCCCCCCC/C(=N\O)c1cccc(OCCCC)c1 ZINC000059608430 519986896 /nfs/dbraw/zinc/98/68/96/519986896.db2.gz IBSPQKZBGXISST-OCOZRVBESA-N 0 0 375.597 7.745 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)Nc1nc2[nH]cnc2c(=O)[nH]1 ZINC000104120608 519991500 /nfs/dbraw/zinc/99/15/00/519991500.db2.gz OFRCCDYYOMSXAM-UHFFFAOYSA-N 0 0 389.544 5.478 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC ZINC000086050951 519993413 /nfs/dbraw/zinc/99/34/13/519993413.db2.gz IIGMITQLXAGZTL-UHFFFAOYSA-N 0 0 396.700 9.152 40 30 GKEBRN CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000100308138 519993929 /nfs/dbraw/zinc/99/39/29/519993929.db2.gz CVDOLGNPMWRXBI-HSZRJFAPSA-N 0 0 384.645 7.342 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)cc1 ZINC000104373409 520009905 /nfs/dbraw/zinc/00/99/05/520009905.db2.gz ROGWSZCTHAYZAM-PTGBLXJZSA-N 0 0 377.598 5.414 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1cccc2ccccc12 ZINC000104380317 520010292 /nfs/dbraw/zinc/01/02/92/520010292.db2.gz ZULJURZPKSKYIC-QOMWVZHYSA-N 0 0 397.632 6.559 40 30 GKEBRN CCCCCCCCCCOC(=O)CSc1nc2cc(OCC)ccc2[nH]1 ZINC000100835255 520018990 /nfs/dbraw/zinc/01/89/90/520018990.db2.gz OTXURFKJJLPOBS-UHFFFAOYSA-N 0 0 392.565 5.738 40 30 GKEBRN CCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCC ZINC000100072723 520019332 /nfs/dbraw/zinc/01/93/32/520019332.db2.gz BOOQKINTOVSZKZ-UHFFFAOYSA-N 0 0 384.601 6.744 40 30 GKEBRN CCCCCCCCCCOc1ccc(C=Nc2ccc(C(C)=O)cc2)cc1 ZINC000068569036 520022144 /nfs/dbraw/zinc/02/21/44/520022144.db2.gz MQSPUPNXVMXMEZ-LHLOQNFPSA-N 0 0 379.544 7.159 40 30 GKEBRN CCCCCCCCCCOc1ccc(/C(=N/OC)c2cccc(OC)c2)cc1 ZINC000102945089 520022354 /nfs/dbraw/zinc/02/23/54/520022354.db2.gz JCGUZNHGRZBMLT-QPLCGJKRSA-N 0 0 397.559 6.614 40 30 GKEBRN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/O)cc2)cc1 ZINC000059663657 520022378 /nfs/dbraw/zinc/02/23/78/520022378.db2.gz KOZFANVMPJYGDK-NCELDCMTSA-N 0 0 397.515 6.233 40 30 GKEBRN CCCCCCCCCCc1noc2c1/C(=N\O)C[C@@H](C[C@@H](C)SCC)C2 ZINC000103007866 520027480 /nfs/dbraw/zinc/02/74/80/520027480.db2.gz KJKOMIKRFOOAEA-XUYQAASISA-N 0 0 394.625 6.630 40 30 GKEBRN CCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1 ZINC000100028433 520027808 /nfs/dbraw/zinc/02/78/08/520027808.db2.gz BETBWKNMYONBEC-UHFFFAOYSA-N 0 0 388.596 6.466 40 30 GKEBRN CCCCCCCCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCCCCCCCC ZINC000100744146 520039878 /nfs/dbraw/zinc/03/98/78/520039878.db2.gz WWNWIBTTWTVLMZ-FGZHOGPDSA-N 0 0 394.596 6.376 40 30 GKEBRN CCCCCCCCOc1ccc(C(C)=O)cc1OCCCCCCCC ZINC000095731011 520043827 /nfs/dbraw/zinc/04/38/27/520043827.db2.gz RCCOBAWJEWCPAR-UHFFFAOYSA-N 0 0 376.581 7.368 40 30 GKEBRN CCCCCCCCOc1ccc(/C=N\c2ccc(C(=O)OCC)cc2)cc1 ZINC000100168245 520044041 /nfs/dbraw/zinc/04/40/41/520044041.db2.gz HEHSIUWUXKPFCK-PLRJNAJWSA-N 0 0 381.516 6.353 40 30 GKEBRN CCCCCCCCSc1ccc(-c2ccc(CCCCCCC)cn2)cc1 ZINC000100566247 520046466 /nfs/dbraw/zinc/04/64/66/520046466.db2.gz DXZHBYHDUQQWDS-UHFFFAOYSA-N 0 0 397.672 8.714 40 30 GKEBRN CCCCCCCC[C@H]1S[C@@H]1CCCCCCCC(=O)N1CCOCC1 ZINC000100300034 520047879 /nfs/dbraw/zinc/04/78/79/520047879.db2.gz DPYGHXSTRIZSJD-NHCUHLMSSA-N 0 0 383.642 5.811 40 30 GKEBRN CCCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)N1CCOCC1 ZINC000100300037 520048053 /nfs/dbraw/zinc/04/80/53/520048053.db2.gz DPYGHXSTRIZSJD-LEWJYISDSA-N 0 0 383.642 5.811 40 30 GKEBRN CCCCCCCCc1ccc(N=Cc2ccc(OCCCCCC)cc2)cc1 ZINC000256080567 520050105 /nfs/dbraw/zinc/05/01/05/520050105.db2.gz ZIEZBSKSIITGJE-UHFFFAOYSA-N 0 0 393.615 8.299 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000101476687 520061315 /nfs/dbraw/zinc/06/13/15/520061315.db2.gz FMAHUZQBMYRPCQ-QNGOZBTKSA-N 0 0 381.447 5.519 40 30 GKEBRN CCCCCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000003267466 520103445 /nfs/dbraw/zinc/10/34/45/520103445.db2.gz AXMSGZVOPQKTOJ-XQNSMLJCSA-N 0 0 383.561 5.583 40 30 GKEBRN CC/N=C1/S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC ZINC000101538516 520203348 /nfs/dbraw/zinc/20/33/48/520203348.db2.gz UDOREUNXLSZNTF-IZSQXYTLSA-N 0 0 389.524 5.002 40 30 GKEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)Sc1nc2ccccc2s1 ZINC000004619389 520399057 /nfs/dbraw/zinc/39/90/57/520399057.db2.gz LXHJNPWQNUHRPW-RCCKNPSSSA-N 0 0 391.905 5.031 40 30 GKEBRN CCCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196115 520436576 /nfs/dbraw/zinc/43/65/76/520436576.db2.gz GHIAUFLKRLRKAI-ZMOGYAJESA-N 0 0 387.310 6.059 40 30 GKEBRN CCCCOC(=O)CCCCCCC/C=C\[C@@H]1C=C[C@H](CCCC)C[C@@H]1C#N ZINC000005553992 520701991 /nfs/dbraw/zinc/70/19/91/520701991.db2.gz WGKZWDKWFFLRAI-PMBYIKTASA-N 0 0 387.608 7.139 40 30 GKEBRN CCCCOC(=O)CCCCCCC/C=C\[C@@H]1C=C[C@@H](CCCC)C[C@@H]1C#N ZINC000017145844 520702500 /nfs/dbraw/zinc/70/25/00/520702500.db2.gz WGKZWDKWFFLRAI-AHHWWQJCSA-N 0 0 387.608 7.139 40 30 GKEBRN Fc1cccc(-c2ccc(/C=N\c3cccc(I)c3)o2)c1 ZINC000409018093 534512260 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0 375.472 5.093 40 30 GKEBRN Cc1oc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(C#N)c1C ZINC000408955729 534536721 /nfs/dbraw/zinc/53/67/21/534536721.db2.gz PACUMPKSTJCXEX-FSJBWODESA-N 0 0 375.384 5.006 40 30 GKEBRN Ic1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 ZINC000408961035 534540424 /nfs/dbraw/zinc/54/04/24/534540424.db2.gz QCKIIKGBWLBLBO-ZHZULCJRSA-N 0 0 390.268 5.032 40 30 GKEBRN CCC(=O)Nc1ccc(-c2csc(N=NCc3ccc(SC)cc3)n2)cc1 ZINC000006782830 521196987 /nfs/dbraw/zinc/19/69/87/521196987.db2.gz CJQFDLBOWNYCNW-CIAFOILYSA-N 0 0 396.541 5.327 40 30 GKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC)cc3)S2)cc1 ZINC000005551646 521268734 /nfs/dbraw/zinc/26/87/34/521268734.db2.gz CMWTTZNRCJWLCR-HKWRFOASSA-N 0 0 380.513 5.320 40 30 GKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OCC)c3)S2)cc1 ZINC000005551265 521269120 /nfs/dbraw/zinc/26/91/20/521269120.db2.gz HKAWKVFAEMMJNY-ZHZULCJRSA-N 0 0 396.512 5.025 40 30 GKEBRN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(O)cc4)c3c2C1 ZINC000036476351 521366421 /nfs/dbraw/zinc/36/64/21/521366421.db2.gz JYOOGSJNUSSGLU-JNXALSOLSA-N 0 0 394.544 5.384 40 30 GKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000059194422 534567066 /nfs/dbraw/zinc/56/70/66/534567066.db2.gz ABVMWDWINOLOEA-YDZHTSKRSA-N 0 0 391.427 5.101 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C ZINC000409202451 534578193 /nfs/dbraw/zinc/57/81/93/534578193.db2.gz QVAQTJZMRJQUJI-ZMOGYAJESA-N 0 0 394.858 6.195 40 30 GKEBRN Cc1cccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc32)c1C ZINC000409220241 534578201 /nfs/dbraw/zinc/57/82/01/534578201.db2.gz ZVJKTKZINYGEAW-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)c1C ZINC000409215216 534578232 /nfs/dbraw/zinc/57/82/32/534578232.db2.gz YWOWHJMBOPDTHI-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)c1C ZINC000409214019 534578727 /nfs/dbraw/zinc/57/87/27/534578727.db2.gz WTLPYKWEKUNUAX-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1cccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)c1C ZINC000409198919 534578817 /nfs/dbraw/zinc/57/88/17/534578817.db2.gz AGYFARJDERQOGG-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1C ZINC000409203377 534578868 /nfs/dbraw/zinc/57/88/68/534578868.db2.gz XPJFWYQYQYQELD-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c1C ZINC000409213800 534580595 /nfs/dbraw/zinc/58/05/95/534580595.db2.gz QXLPTAPSXPPXTM-OYKKKHCWSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C ZINC000409202860 534579741 /nfs/dbraw/zinc/57/97/41/534579741.db2.gz UBEQJJAFXNHGCY-MXAYSNPKSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1C ZINC000409213330 534579840 /nfs/dbraw/zinc/57/98/40/534579840.db2.gz UPCNKKMXOLJQDY-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 ZINC000005720259 521977554 /nfs/dbraw/zinc/97/75/54/521977554.db2.gz BAFAFNFQZANLPV-XKZIYDEJSA-N 0 0 392.451 5.743 40 30 GKEBRN Clc1ccccc1COc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000409202045 534650414 /nfs/dbraw/zinc/65/04/14/534650414.db2.gz OGVDOXNCZOYWLT-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118913476 522736344 /nfs/dbraw/zinc/73/63/44/522736344.db2.gz CTVOPPAULYUILQ-KPAFXHQGSA-N 0 0 397.603 6.327 40 30 GKEBRN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101764656 523055473 /nfs/dbraw/zinc/05/54/73/523055473.db2.gz FMWHASSLWZGTDN-RPKJYVOXSA-N 0 0 376.500 5.572 40 30 GKEBRN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(F)c(Cl)c1 ZINC000101764915 523056572 /nfs/dbraw/zinc/05/65/72/523056572.db2.gz CPPLSGKJCWGLCU-XTKXSTFYSA-N 0 0 386.854 5.241 40 30 GKEBRN COc1ccc(-c2csc(N=NC(C)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000005008131 523164244 /nfs/dbraw/zinc/16/42/44/523164244.db2.gz JELDYIGRPUYGQM-BUVRLJJBSA-N 0 0 379.529 5.952 40 30 GKEBRN N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409153721 534697191 /nfs/dbraw/zinc/69/71/91/534697191.db2.gz MIJHOFIDMUWGSD-GJYPPUQNSA-N 0 0 381.273 5.178 40 30 GKEBRN CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000118916076 523304304 /nfs/dbraw/zinc/30/43/04/523304304.db2.gz BLUXDDQLXIXNPG-JSSMYMEDSA-N 0 0 380.576 5.898 40 30 GKEBRN CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000036614386 523306821 /nfs/dbraw/zinc/30/68/21/523306821.db2.gz XKRIBCLXBKPPCM-MVPMCVMZSA-N 0 0 390.527 5.030 40 30 GKEBRN CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000036614388 523306990 /nfs/dbraw/zinc/30/69/90/523306990.db2.gz XKRIBCLXBKPPCM-FMGHMPIQSA-N 0 0 390.527 5.030 40 30 GKEBRN CC[C@H]1CS/C(=N\c2cccc(OC)c2)N1Cc1ccc(Cl)cc1Cl ZINC000102887185 523353548 /nfs/dbraw/zinc/35/35/48/523353548.db2.gz NTKJMGYXVPIHBW-VFOOBRQFSA-N 0 0 395.355 6.017 40 30 GKEBRN COc1ccc(/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)cc1Cl ZINC000102957276 523463823 /nfs/dbraw/zinc/46/38/23/523463823.db2.gz LPKDMLAZQXKOQB-LSHDLFTRSA-N 0 0 394.689 5.900 40 30 GKEBRN COc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1Cl ZINC000223551592 523467107 /nfs/dbraw/zinc/46/71/07/523467107.db2.gz JCZRNGYMQAEWRZ-FRQJIFLKSA-N 0 0 384.951 6.600 40 30 GKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Cl)cc2Br)cc1 ZINC000032100371 523536113 /nfs/dbraw/zinc/53/61/13/523536113.db2.gz SMCQBLJGWFORHH-PKNBQFBNSA-N 0 0 380.669 5.310 40 30 GKEBRN CCn1nccc1/C=C1/C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118916114 523707492 /nfs/dbraw/zinc/70/74/92/523707492.db2.gz LWLNXMRZXSNPHH-DHGDJTRASA-N 0 0 380.576 5.898 40 30 GKEBRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101763825 523850965 /nfs/dbraw/zinc/85/09/65/523850965.db2.gz OWHABUCRRJRPGX-PLRJNAJWSA-N 0 0 399.321 6.219 40 30 GKEBRN CN1c2ccccc2C(C)(C)C1C=CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000018080739 524035175 /nfs/dbraw/zinc/03/51/75/524035175.db2.gz RKIBYYFVJZZRHD-DZFSZNFNSA-N 0 0 394.733 6.356 40 30 GKEBRN N#Cc1c2c(sc1N=CC1=CC(=[NH+][N-]c3ccccc3)C=CC1=O)CCCC2 ZINC000408740227 534767740 /nfs/dbraw/zinc/76/77/40/534767740.db2.gz JIPXDHPMKBENDZ-IPIVFHEZSA-N 0 0 386.480 6.370 40 30 GKEBRN C[C@@H]1CCC[C@@](C)(c2ccccc2)C1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104072550 524336575 /nfs/dbraw/zinc/33/65/75/524336575.db2.gz FSNWJVKOOXZFPU-FKQLHSDPSA-N 0 0 382.420 5.049 40 30 GKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409215488 534795089 /nfs/dbraw/zinc/79/50/89/534795089.db2.gz ZUJSEBRIPZDPGO-UCQKPKSFSA-N 0 0 380.285 6.087 40 30 GKEBRN Cc1ccccc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409203458 534795422 /nfs/dbraw/zinc/79/54/22/534795422.db2.gz YBYHUDHSFYEWCY-HMAPJEAMSA-N 0 0 385.872 5.167 40 30 GKEBRN N#Cc1ccccc1COc1ccccc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408565468 534814769 /nfs/dbraw/zinc/81/47/69/534814769.db2.gz CAAOSPKBOVNEBX-QFIPXVFZSA-N 0 0 397.434 5.027 40 30 GKEBRN Cc1cc(Cl)cc2c1S/C(=C1\Sc3c(cc(Cl)cc3C)C1=O)C2=O ZINC000017147974 524879551 /nfs/dbraw/zinc/87/95/51/524879551.db2.gz HUGACAUYNJDGTB-ZCXUNETKSA-N 0 0 393.316 6.099 40 30 GKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000409091347 534818758 /nfs/dbraw/zinc/81/87/58/534818758.db2.gz PPICBJJFYWUPDK-STZFKDTASA-N 0 0 389.838 5.264 40 30 GKEBRN Cc1ccccc1/N=C(/Cl)C(Cl)(Cl)/C(Cl)=N/c1ccccc1C ZINC000100499100 525042731 /nfs/dbraw/zinc/04/27/31/525042731.db2.gz PAVJMALQWBRQBE-XRBXDRSNSA-N 0 0 388.125 6.715 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1cccc2ccccc21 ZINC000409392201 534848769 /nfs/dbraw/zinc/84/87/69/534848769.db2.gz NWPXBLPYBDQVEM-UHFFFAOYSA-N 0 0 390.438 5.881 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000409123765 534849454 /nfs/dbraw/zinc/84/94/54/534849454.db2.gz DQWUCYWHDXTXBX-UHFFFAOYSA-N 0 0 393.442 5.183 40 30 GKEBRN O=C1c2ccccc2S/C1=C/c1ccccc1OCc1ccc2ccccc2c1 ZINC000409311567 534854085 /nfs/dbraw/zinc/85/40/85/534854085.db2.gz ASXVKQHWEXPCQG-PCLIKHOPSA-N 0 0 394.495 6.748 40 30 GKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000036614423 525532798 /nfs/dbraw/zinc/53/27/98/525532798.db2.gz XDSUORUHJZFDRR-IHUJNQPGSA-N 0 0 390.498 5.953 40 30 GKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000036614420 525533944 /nfs/dbraw/zinc/53/39/44/525533944.db2.gz XDSUORUHJZFDRR-LDDHGXPRSA-N 0 0 390.498 5.953 40 30 GKEBRN Cc1cc2c(cc1CN=Nc1ncccc1[N+](=O)[O-])[C@H](C)CC(C)(C)N2C(C)C ZINC000223587270 525591982 /nfs/dbraw/zinc/59/19/82/525591982.db2.gz UZCWIOQLDKRBNB-ANDSAHIGSA-N 0 0 395.507 5.245 40 30 GKEBRN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101764192 525627893 /nfs/dbraw/zinc/62/78/93/525627893.db2.gz XIRMLMISGPDSDB-ALJNWUEXSA-N 0 0 387.310 6.055 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(/C=N\c2ccccc2)c1 ZINC000409211158 534879660 /nfs/dbraw/zinc/87/96/60/534879660.db2.gz KYYNRJPLMNNPTF-CFRMEGHHSA-N 0 0 386.329 6.157 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1/C=N/c1ccccc1 ZINC000003094841 534880028 /nfs/dbraw/zinc/88/00/28/534880028.db2.gz UELJGNJWOKVVBK-ZMOGYAJESA-N 0 0 386.329 6.157 40 30 GKEBRN Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000005794966 525855970 /nfs/dbraw/zinc/85/59/70/525855970.db2.gz LXHLHDRDHCMVKM-HAHDFKILSA-N 0 0 386.480 5.217 40 30 GKEBRN C[C@@]1(c2ccccc2)CCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000018088520 525896085 /nfs/dbraw/zinc/89/60/85/525896085.db2.gz MULHDGTUHCRWOZ-XXBRTLJISA-N 0 0 382.420 5.193 40 30 GKEBRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 ZINC000253617432 525914474 /nfs/dbraw/zinc/91/44/74/525914474.db2.gz LZYLYVQWNIUJNH-XNEGRAJQSA-N 0 0 392.583 5.173 40 30 GKEBRN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2SCc2ccccc2)cc1 ZINC000102944572 525969130 /nfs/dbraw/zinc/96/91/30/525969130.db2.gz NDHDGEATWMVOLU-MFKUBSTISA-N 0 0 399.519 5.354 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000101745752 526098780 /nfs/dbraw/zinc/09/87/80/526098780.db2.gz QTBDHPADVFMPFL-CFRMEGHHSA-N 0 0 395.344 6.533 40 30 GKEBRN Cc1cc(Br)c(O)c(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000016267123 526152685 /nfs/dbraw/zinc/15/26/85/526152685.db2.gz ZQXZREMFXABYFQ-SRZZPIQSSA-N 0 0 399.244 5.059 40 30 GKEBRN C[C@H](C(=O)Nc1cccc(NC=C2C(=O)C=Cc3ccccc32)c1)c1ccccc1 ZINC000100473265 526158548 /nfs/dbraw/zinc/15/85/48/526158548.db2.gz UADRPWLRVLBVBC-KHCKMINHSA-N 0 0 394.474 5.478 40 30 GKEBRN C[C@@H]1CCCC/C1=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017142748 526238385 /nfs/dbraw/zinc/23/83/85/526238385.db2.gz VICRXONXPPCOQD-VGTHCDORSA-N 0 0 385.576 7.278 40 30 GKEBRN Cc1ccc2nc(N=NCc3cccc4cccnc43)nc(-c3ccccc3)c2c1 ZINC000046085309 526250899 /nfs/dbraw/zinc/25/08/99/526250899.db2.gz RZHTZQRQQPFCMV-JVWAILMASA-N 0 0 389.462 5.599 40 30 GKEBRN O[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2/N=C\c1ccc2c(c1)OCO2 ZINC000104091523 526316954 /nfs/dbraw/zinc/31/69/54/526316954.db2.gz OTSUYTRWZUVSMX-NYPWLODOSA-N 0 0 398.245 5.535 40 30 GKEBRN Fc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000005633545 526322801 /nfs/dbraw/zinc/32/28/01/526322801.db2.gz LEJDAZFUGBLBKF-DJKKODMXSA-N 0 0 376.254 5.158 40 30 GKEBRN Oc1ccc2ccccc2c1/C=N/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000038188808 526354289 /nfs/dbraw/zinc/35/42/89/526354289.db2.gz PQRLFOBIBUSSCP-LQKURTRISA-N 0 0 397.518 6.469 40 30 GKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)SC1=S ZINC000408962273 526388075 /nfs/dbraw/zinc/38/80/75/526388075.db2.gz XXLPQDKSZSGIPG-UYRXBGFRSA-N 0 0 396.581 5.352 40 30 GKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000409072245 526406547 /nfs/dbraw/zinc/40/65/47/526406547.db2.gz UPPXSCWEAJYZQB-LDADJPATSA-N 0 0 385.872 5.141 40 30 GKEBRN C=CCN1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409225788 526406662 /nfs/dbraw/zinc/40/66/62/526406662.db2.gz LBGWMPRWVKNCPS-DEDYPNTBSA-N 0 0 392.455 5.051 40 30 GKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409101747 526406808 /nfs/dbraw/zinc/40/68/08/526406808.db2.gz XRDTZYDBUWNRMK-XDHOZWIPSA-N 0 0 380.513 5.242 40 30 GKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O ZINC000409095969 526406898 /nfs/dbraw/zinc/40/68/98/526406898.db2.gz JFOFJSMPPRQMIZ-KGENOOAVSA-N 0 0 388.492 5.470 40 30 GKEBRN O=C(O/N=C(/c1cccs1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000005004337 526412631 /nfs/dbraw/zinc/41/26/31/526412631.db2.gz ZJNOKVLUHFRMDX-WJTDDFOZSA-N 0 0 398.487 6.475 40 30 GKEBRN C/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1C ZINC000409022664 526416320 /nfs/dbraw/zinc/41/63/20/526416320.db2.gz ONRVPLGUFORGBS-FMPUCSDASA-N 0 0 380.947 5.085 40 30 GKEBRN N#CN=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2c(cc1C#N)CCCCC2 ZINC000006828712 526428732 /nfs/dbraw/zinc/42/87/32/526428732.db2.gz VJLCELJAUPLOIK-UHFFFAOYSA-N 0 0 398.297 5.063 40 30 GKEBRN O=C(ON=C(c1cc2ccccc2o1)c1cc2ccccc2o1)c1ccccc1 ZINC000068603101 526433213 /nfs/dbraw/zinc/43/32/13/526433213.db2.gz AVGCGMPQTYGVLS-UHFFFAOYSA-N 0 0 381.387 5.788 40 30 GKEBRN c1ccc([C@@]23c4ccccc4/C(=N/C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 ZINC000036507540 526496430 /nfs/dbraw/zinc/49/64/30/526496430.db2.gz SHSOKWPHFHWYHE-UMQNFNALSA-N 0 0 384.567 6.083 40 30 GKEBRN N#C[C@@]12CCCC[C@H]1C(c1ccccc1)[C@H]1CCCC[C@]1(C#N)N2c1ccccc1 ZINC000018060287 526504097 /nfs/dbraw/zinc/50/40/97/526504097.db2.gz KTRYHAULWNUHQF-GIHMQJQTSA-N 0 0 395.550 6.196 40 30 GKEBRN N#Cc1c(/N=C\c2c[nH]c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100700225 526517056 /nfs/dbraw/zinc/51/70/56/526517056.db2.gz JSYVLUHZOPVFCV-RHANQZHGSA-N 0 0 387.442 6.717 40 30 GKEBRN Brc1cc(/C=N/c2ccc3ncccc3c2)oc1Br ZINC000408952152 526635641 /nfs/dbraw/zinc/63/56/41/526635641.db2.gz KNJBXJMWQDDHMF-QGMBQPNBSA-N 0 0 380.039 5.103 40 30 GKEBRN Brc1cc(/C=N/c2cccc3ccccc32)oc1Br ZINC000408950506 526635755 /nfs/dbraw/zinc/63/57/55/526635755.db2.gz FUICLSSBRGXFFM-GIJQJNRQSA-N 0 0 379.051 5.708 40 30 GKEBRN Brc1ccc(COc2ccccc2C=NNc2ccccc2)cc1 ZINC000409252484 526642909 /nfs/dbraw/zinc/64/29/09/526642909.db2.gz CAADIVVIVJEMMW-HYARGMPZSA-N 0 0 381.273 5.474 40 30 GKEBRN C=C(C)COc1ccc2c(c3ccnc4c3n2c(=O)c2ccccc24)c1CC(=C)C ZINC000008764472 526664664 /nfs/dbraw/zinc/66/46/64/526664664.db2.gz MEDIWWXRPNJYND-UHFFFAOYSA-N 0 0 394.474 5.665 40 30 biogenic GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)o3)sc2C1 ZINC000409078257 526673246 /nfs/dbraw/zinc/67/32/46/526673246.db2.gz HFCBNKVSKWKIJD-OHBSIKEHSA-N 0 0 391.334 5.877 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(N4CCCC4)cc3)sc2C1 ZINC000409062546 526674675 /nfs/dbraw/zinc/67/46/75/526674675.db2.gz WOMXXMXFCQTXQG-CVLFLDGLSA-N 0 0 391.584 6.122 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(C(F)(F)F)c3)sc2C1 ZINC000409203316 526674804 /nfs/dbraw/zinc/67/48/04/526674804.db2.gz VKTLXYLHXUMTDJ-RYFLRGTGSA-N 0 0 390.474 6.540 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OC(F)F)cc3)sc2C1 ZINC000409155256 526674858 /nfs/dbraw/zinc/67/48/58/526674858.db2.gz QFOQAWWBBPJUBX-KWRYHKOTSA-N 0 0 388.483 6.123 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccc(OCC#N)c3)sc2C1 ZINC000409080980 526675233 /nfs/dbraw/zinc/67/52/33/526675233.db2.gz OROGFDLFCRRTRB-FRQJIFLKSA-N 0 0 377.513 5.424 40 30 GKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(N=C3c4cc(Cl)ccc4NC3=O)sc2C1 ZINC000409122235 526734446 /nfs/dbraw/zinc/73/44/46/526734446.db2.gz ZHMHXGNKXBPHLO-NSHDSACASA-N 0 0 397.931 5.497 40 30 GKEBRN CC(C)(C)c1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1O ZINC000408932243 526746547 /nfs/dbraw/zinc/74/65/47/526746547.db2.gz BRBZHJNIYIMKKN-ZMFRSBBQSA-N 0 0 392.465 6.452 40 30 GKEBRN CC(C)(C)c1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 ZINC000409055566 526769919 /nfs/dbraw/zinc/76/99/19/526769919.db2.gz ZPCIRZFHQLUDOQ-GFMRDNFCSA-N 0 0 377.509 5.849 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OC ZINC000409110350 526821439 /nfs/dbraw/zinc/82/14/39/526821439.db2.gz UZWIGHPAIMGYFL-UHFFFAOYSA-N 0 0 392.293 5.033 40 30 GKEBRN C=CCOc1c(Cl)cc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OCC ZINC000409120822 526821454 /nfs/dbraw/zinc/82/14/54/526821454.db2.gz UVADIKYEQJKWLW-AQTBWJFISA-N 0 0 397.902 5.601 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2ccccc2C)cc1OCC ZINC000409111711 526821727 /nfs/dbraw/zinc/82/17/27/526821727.db2.gz DPHQAVSDWDYPLS-UHFFFAOYSA-N 0 0 376.294 5.333 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409120535 526822054 /nfs/dbraw/zinc/82/20/54/526822054.db2.gz WHIUEGGAXGDQJN-UHFFFAOYSA-N 0 0 390.321 5.642 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2ccccc2CC)cc1OCC ZINC000409114174 526822070 /nfs/dbraw/zinc/82/20/70/526822070.db2.gz CZDOUUPFVZNRDN-UHFFFAOYSA-N 0 0 390.321 5.587 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1OC ZINC000409184266 526822220 /nfs/dbraw/zinc/82/22/20/526822220.db2.gz WPKRLLGICSDFMT-UHFFFAOYSA-N 0 0 382.685 5.288 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1OCC ZINC000409122553 526822377 /nfs/dbraw/zinc/82/23/77/526822377.db2.gz ZLNIQKHZBSXEAQ-UHFFFAOYSA-N 0 0 390.321 5.642 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2cccc(C)c2)cc1OCC ZINC000409116120 526822410 /nfs/dbraw/zinc/82/24/10/526822410.db2.gz UBZCTZHYQBYXSR-UHFFFAOYSA-N 0 0 376.294 5.333 40 30 GKEBRN C=CCOc1ccc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1 ZINC000096194215 526830902 /nfs/dbraw/zinc/83/09/02/526830902.db2.gz FJLYEGLNTCXXHL-UHFFFAOYSA-N 0 0 388.452 5.139 40 30 GKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 ZINC000408906145 526834427 /nfs/dbraw/zinc/83/44/27/526834427.db2.gz HTQMICZUHKQGSU-MIIQOVFOSA-N 0 0 392.524 5.492 40 30 GKEBRN C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408553747 526891578 /nfs/dbraw/zinc/89/15/78/526891578.db2.gz BCAQLYZSRLMKQQ-UHFFFAOYSA-N 0 0 396.712 5.678 40 30 GKEBRN C=CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000013687803 526893322 /nfs/dbraw/zinc/89/33/22/526893322.db2.gz SJIFPFGJEVOXJP-UHFFFAOYSA-N 0 0 393.870 5.736 40 30 GKEBRN C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c2ccccc12 ZINC000225943496 526893681 /nfs/dbraw/zinc/89/36/81/526893681.db2.gz LWQMEVGPASPCHD-UHFFFAOYSA-N 0 0 393.914 6.265 40 30 GKEBRN C=CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000409079141 526896120 /nfs/dbraw/zinc/89/61/20/526896120.db2.gz KBYCYNWFTXFHPD-SCELWYEFSA-N 0 0 378.541 6.086 40 30 GKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1C ZINC000408605340 526896358 /nfs/dbraw/zinc/89/63/58/526896358.db2.gz GNPAABRVDIPGKD-UHFFFAOYSA-N 0 0 382.301 6.088 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000408564185 526918798 /nfs/dbraw/zinc/91/87/98/526918798.db2.gz SLUDTBVHIOYHGN-UHFFFAOYSA-N 0 0 375.493 5.796 40 30 GKEBRN C=CCOc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC000225810987 526920668 /nfs/dbraw/zinc/92/06/68/526920668.db2.gz NECDTNLEVUVCTC-UHFFFAOYSA-N 0 0 384.520 5.189 40 30 GKEBRN C=CCOc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 ZINC000225613300 526920819 /nfs/dbraw/zinc/92/08/19/526920819.db2.gz WPROARWWHRLCLM-UHFFFAOYSA-N 0 0 390.549 5.000 40 30 GKEBRN Clc1ccc(-c2cs/c(=N\N=C\c3ccccc3)n2-c2ccccc2)cc1 ZINC000008048461 526932654 /nfs/dbraw/zinc/93/26/54/526932654.db2.gz CKZJIYZEVRXGNB-JZIGQTSASA-N 0 0 389.911 5.794 40 30 GKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408966081 526939029 /nfs/dbraw/zinc/93/90/29/526939029.db2.gz JTQGNYBONIEVTF-WGOQTCKBSA-N 0 0 387.527 6.101 40 30 GKEBRN O=C1/C(=C\c2ccccc2Cl)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100074901 526946913 /nfs/dbraw/zinc/94/69/13/526946913.db2.gz VUAZIAQMHKSEQZ-QSAWGAGVSA-N 0 0 382.916 5.887 40 30 GKEBRN O=C1/C(=C\c2cccs2)S/C(=N/c2ccccc2)N1CCc1ccccc1 ZINC000013425471 526947510 /nfs/dbraw/zinc/94/75/10/526947510.db2.gz YCLHWJHRABQPON-NXFOLNHESA-N 0 0 390.533 5.595 40 30 GKEBRN O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1Cl ZINC000017105100 526958819 /nfs/dbraw/zinc/95/88/19/526958819.db2.gz CTSYKSQPDJGUFN-UYRXBGFRSA-N 0 0 377.270 6.571 40 30 GKEBRN Clc1cccc(Cl)c1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000013602715 526977427 /nfs/dbraw/zinc/97/74/27/526977427.db2.gz STWZWWJJVVDBCK-UYOCIXKTSA-N 0 0 377.300 5.323 40 30 GKEBRN Clc1cccc(Cl)c1CN/N=C/c1cccc(OCc2ccccc2)c1 ZINC000009196140 526979091 /nfs/dbraw/zinc/97/90/91/526979091.db2.gz HHLGURODOOKGRP-ZMOGYAJESA-N 0 0 385.294 5.696 40 30 GKEBRN Clc1cccc(Cl)c1CN/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000009195099 526979306 /nfs/dbraw/zinc/97/93/06/526979306.db2.gz DXDILIXSEWRJJA-ZMOGYAJESA-N 0 0 385.294 5.696 40 30 GKEBRN Clc1cccc(Cl)c1CN/N=C/c1c2ccccc2cc2ccccc21 ZINC000009196224 526979491 /nfs/dbraw/zinc/97/94/91/526979491.db2.gz LCDHKHPOQQBEFZ-DHRITJCHSA-N 0 0 379.290 6.424 40 30 GKEBRN C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(CC)cc1 ZINC000409113014 527012483 /nfs/dbraw/zinc/01/24/83/527012483.db2.gz NCIILVVWYZVNEC-UHFFFAOYSA-N 0 0 384.570 5.549 40 30 GKEBRN C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000409111199 527012539 /nfs/dbraw/zinc/01/25/39/527012539.db2.gz BGPKSNUGACYYKI-UHFFFAOYSA-N 0 0 384.570 5.603 40 30 GKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409209178 527085869 /nfs/dbraw/zinc/08/58/69/527085869.db2.gz GFCRAGLIVQYRDX-SRZZPIQSSA-N 0 0 392.680 5.182 40 30 GKEBRN C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409111813 527086183 /nfs/dbraw/zinc/08/61/83/527086183.db2.gz CVYWMQMAPUOAKD-UHFFFAOYSA-N 0 0 388.305 5.089 40 30 GKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl ZINC000408611573 527087037 /nfs/dbraw/zinc/08/70/37/527087037.db2.gz TZZOMFBELIGBRG-UHFFFAOYSA-N 0 0 375.082 5.924 40 30 GKEBRN C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000408811340 527094237 /nfs/dbraw/zinc/09/42/37/527094237.db2.gz LDNJIFFNWNQLLE-WSDLNYQXSA-N 0 0 399.313 5.024 40 30 GKEBRN C#CCOc1ccc2ccccc2c1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408817418 527116102 /nfs/dbraw/zinc/11/61/02/527116102.db2.gz XREDFCYIQDWYOJ-UHFFFAOYSA-N 0 0 389.458 5.173 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000001102276 527128208 /nfs/dbraw/zinc/12/82/08/527128208.db2.gz KGCANLGORWFFPS-UHFFFAOYSA-N 0 0 392.813 5.521 40 30 GKEBRN O=C(Nc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1)c1ccccc1 ZINC000031906050 527139899 /nfs/dbraw/zinc/13/98/99/527139899.db2.gz YBHVNQDZPMYXJQ-IWIPYMOSSA-N 0 0 398.491 5.508 40 30 GKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 ZINC000028182507 527144638 /nfs/dbraw/zinc/14/46/38/527144638.db2.gz MLRLPRXNDGNPBZ-CFRMEGHHSA-N 0 0 381.431 5.374 40 30 GKEBRN C#CCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc21 ZINC000409050373 527177446 /nfs/dbraw/zinc/17/74/46/527177446.db2.gz VCTIYGWYJLXACB-OVVQPSECSA-N 0 0 379.507 5.576 40 30 GKEBRN C#CCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 ZINC000409034714 527177505 /nfs/dbraw/zinc/17/75/05/527177505.db2.gz NWSMJUAQLUERLL-WMDMUMDLSA-N 0 0 391.343 5.033 40 30 GKEBRN CC(=O)c1ccc(N=Cc2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409224553 527221798 /nfs/dbraw/zinc/22/17/98/527221798.db2.gz IGUYAELRUVPPTI-WSDLNYQXSA-N 0 0 382.257 5.971 40 30 GKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000408857873 527235414 /nfs/dbraw/zinc/23/54/14/527235414.db2.gz NEIYIMKNOJESSA-UHFFFAOYSA-N 0 0 381.269 5.722 40 30 GKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1 ZINC000409110861 527243367 /nfs/dbraw/zinc/24/33/67/527243367.db2.gz HHTNHAPFJVJADO-UHFFFAOYSA-N 0 0 387.523 6.177 40 30 GKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1 ZINC000409111144 527243856 /nfs/dbraw/zinc/24/38/56/527243856.db2.gz AMMCSPOQHGFQKD-UHFFFAOYSA-N 0 0 387.523 6.313 40 30 GKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1 ZINC000409121321 527244127 /nfs/dbraw/zinc/24/41/27/527244127.db2.gz WDJUYENSVXTOCD-UHFFFAOYSA-N 0 0 387.523 6.232 40 30 GKEBRN C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccccc1F ZINC000409109434 527245216 /nfs/dbraw/zinc/24/52/16/527245216.db2.gz DUPPTIVBVZUQDW-UHFFFAOYSA-N 0 0 377.459 5.754 40 30 GKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000409116515 527245623 /nfs/dbraw/zinc/24/56/23/527245623.db2.gz OAXJMHUCVVUKBJ-UHFFFAOYSA-N 0 0 375.468 5.837 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000016711498 527268743 /nfs/dbraw/zinc/26/87/43/527268743.db2.gz WZKMDIJOJGQMPR-MOHJPFBDSA-N 0 0 394.849 6.307 40 30 GKEBRN C=CCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 ZINC000409042805 527292838 /nfs/dbraw/zinc/29/28/38/527292838.db2.gz XVQTYTSGLOYBSY-WMDMUMDLSA-N 0 0 393.359 5.586 40 30 GKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000408561316 527318685 /nfs/dbraw/zinc/31/86/85/527318685.db2.gz HRHKRYYARHNNRC-UHFFFAOYSA-N 0 0 386.565 5.016 40 30 GKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000408564492 527318992 /nfs/dbraw/zinc/31/89/92/527318992.db2.gz YTWACYMQFQTHPM-UHFFFAOYSA-N 0 0 386.565 5.016 40 30 GKEBRN C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014091444 527326861 /nfs/dbraw/zinc/32/68/61/527326861.db2.gz ZNVMMDDEFNGFAV-UHFFFAOYSA-N 0 0 390.339 5.654 40 30 GKEBRN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409343374 527342604 /nfs/dbraw/zinc/34/26/04/527342604.db2.gz HCJQMHLGTANACA-UHFFFAOYSA-N 0 0 399.878 5.962 40 30 GKEBRN C=CCn1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc21 ZINC000409131135 527363253 /nfs/dbraw/zinc/36/32/53/527363253.db2.gz MAXBDQPKYWEXGI-DEDYPNTBSA-N 0 0 380.513 5.444 40 30 GKEBRN C=CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 ZINC000408972281 527363270 /nfs/dbraw/zinc/36/32/70/527363270.db2.gz OTPAYNUMBUPLCO-AQTBWJFISA-N 0 0 395.384 5.176 40 30 GKEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409239791 527395105 /nfs/dbraw/zinc/39/51/05/527395105.db2.gz FEJFLJKNECIMJW-JPVKTXQWSA-N 0 0 381.522 5.757 40 30 GKEBRN C(=N/c1cccnc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408742397 527474566 /nfs/dbraw/zinc/47/45/66/527474566.db2.gz WJKSAUKELKCIJK-TWKHWXDSSA-N 0 0 399.497 6.957 40 30 GKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccccc1OCc1ccccc1 ZINC000005603465 527475187 /nfs/dbraw/zinc/47/51/87/527475187.db2.gz GCWNNLMWJZBJGU-ZXVVBBHZSA-N 0 0 379.459 6.809 40 30 GKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1cc2ccccc2[nH]1 ZINC000408940018 527475520 /nfs/dbraw/zinc/47/55/20/527475520.db2.gz TVXUVKLXFVUWNG-BMWFOGKBSA-N 0 0 389.502 6.745 40 30 GKEBRN Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(O)cc1)N2 ZINC000016266243 527551504 /nfs/dbraw/zinc/55/15/04/527551504.db2.gz FJWGBJZIHNDUET-QHCPKHFHSA-N 0 0 399.494 5.196 40 30 GKEBRN [O-]/N=C/c1cc2ccccc2c[n+]1Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000016991103 527589595 /nfs/dbraw/zinc/58/95/95/527589595.db2.gz JBFZOGBZRCOBRT-UHFFFAOYSA-O 0 0 387.462 5.881 40 30 GKEBRN O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000012367859 527592923 /nfs/dbraw/zinc/59/29/23/527592923.db2.gz TVHIRCREDUOOTK-QOMWVZHYSA-N 0 0 388.466 6.503 40 30 GKEBRN O=C(/C=C/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCS1 ZINC000101510533 527596902 /nfs/dbraw/zinc/59/69/02/527596902.db2.gz VFYROLLZNLLCGK-KJZHCDIESA-N 0 0 392.545 5.790 40 30 GKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000033497533 527616804 /nfs/dbraw/zinc/61/68/04/527616804.db2.gz VSNVRMORNGZESN-DEDYPNTBSA-N 0 0 390.482 6.829 40 30 GKEBRN O=C(/C=C/c1ccccc1)OCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000068591998 527633691 /nfs/dbraw/zinc/63/36/91/527633691.db2.gz XWOHHCSZHHLAAJ-HBKJEHTGSA-N 0 0 398.458 5.218 40 30 GKEBRN O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000031872617 527634251 /nfs/dbraw/zinc/63/42/51/527634251.db2.gz USUVUSDICXDFMW-VAQFQWRASA-N 0 0 388.850 5.855 40 30 GKEBRN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000100661961 527652881 /nfs/dbraw/zinc/65/28/81/527652881.db2.gz MHXWFNYFANYWOP-KTKRTIGZSA-N 0 0 386.167 5.156 40 30 GKEBRN O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000031872615 527658149 /nfs/dbraw/zinc/65/81/49/527658149.db2.gz USUVUSDICXDFMW-WIBPKFNESA-N 0 0 388.850 5.855 40 30 GKEBRN O=C(/C=C\c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000005843048 527658319 /nfs/dbraw/zinc/65/83/19/527658319.db2.gz USUVUSDICXDFMW-JCDHFMOQSA-N 0 0 388.850 5.855 40 30 GKEBRN FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@@H]1[C@]1(CC(F)(F)C(F)(F)S1)CC2 ZINC000073417455 527663062 /nfs/dbraw/zinc/66/30/62/527663062.db2.gz UHMGZMSZRULRFR-FSDSQADBSA-N 0 0 376.259 5.631 40 30 GKEBRN O[C@@]1(c2ccccc2)C/C(=N/C2=NN(c3ccccc3)CC2)C=C1c1ccccc1 ZINC000102943611 527682012 /nfs/dbraw/zinc/68/20/12/527682012.db2.gz BWNMMMCLWUPJQG-OOVQCZTNSA-N 0 0 393.490 5.026 40 30 GKEBRN FC(F)(F)c1ccccc1[N-][NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000007140972 527687150 /nfs/dbraw/zinc/68/71/50/527687150.db2.gz AFQGSKBIDYNQMA-LSHDLFTRSA-N 0 0 396.825 6.005 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118912998 527706411 /nfs/dbraw/zinc/70/64/11/527706411.db2.gz GWOSBUGZGFVDDS-OCVQCAINSA-N 0 0 398.631 6.776 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000118914069 527706425 /nfs/dbraw/zinc/70/64/25/527706425.db2.gz AKTPAJMBVLOPJG-BZYDGCPMSA-N 0 0 386.664 7.485 40 30 GKEBRN CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(C(CC)=NOCC)C(=O)C2)c1C ZINC000299888841 527968198 /nfs/dbraw/zinc/96/81/98/527968198.db2.gz ZOGDSYNXUXQGHF-KRWDZBQOSA-N 0 0 399.531 5.656 40 30 GKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=S)Nc3ccccc3)cc21 ZINC000223480361 528095851 /nfs/dbraw/zinc/09/58/51/528095851.db2.gz DVQMWQXOZCWRSH-IWIPYMOSSA-N 0 0 392.572 5.417 40 30 GKEBRN CCOC(=O)c1c(/N=C\c2ccccc2OCC(C)C)sc2c1CCCC2 ZINC000408605695 528116631 /nfs/dbraw/zinc/11/66/31/528116631.db2.gz YNFKZDYLHRSHBV-QRVIBDJDSA-N 0 0 385.529 5.589 40 30 GKEBRN CCOC(=O)c1c(/N=C\c2ccc(-c3ccccc3)o2)sc2c1CCCC2 ZINC000409074551 528117764 /nfs/dbraw/zinc/11/77/64/528117764.db2.gz VICMDBMTGXUKMI-UCQKPKSFSA-N 0 0 379.481 5.814 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000408706870 528123115 /nfs/dbraw/zinc/12/31/15/528123115.db2.gz GMLDWMPWWWKZEP-UHFFFAOYSA-N 0 0 384.923 5.455 40 30 GKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1 ZINC000006920407 528123758 /nfs/dbraw/zinc/12/37/58/528123758.db2.gz CQZYNBUYMYMJFW-UHFFFAOYSA-N 0 0 381.626 6.524 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)OC12CC3CC(CC(C3)C1)C2 ZINC000408730021 528124009 /nfs/dbraw/zinc/12/40/09/528124009.db2.gz DHYOFJLYSZOWAE-UHFFFAOYSA-N 0 0 390.652 7.980 40 30 GKEBRN CCCCCCCCCC[C@@H](SCCCC)C(=O)c1cc(C)ccc1O ZINC000100931372 528126509 /nfs/dbraw/zinc/12/65/09/528126509.db2.gz OVPFYYUKBGMDTI-JOCHJYFZSA-N 0 0 378.622 7.316 40 30 GKEBRN CCCCCCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 ZINC000299888522 528126685 /nfs/dbraw/zinc/12/66/85/528126685.db2.gz MSABKRNOGDWYAE-UHFFFAOYSA-N 0 0 393.615 8.299 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408585438 528132373 /nfs/dbraw/zinc/13/23/73/528132373.db2.gz DSNQGADXXDWACY-UHFFFAOYSA-N 0 0 393.449 6.697 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408586673 528132592 /nfs/dbraw/zinc/13/25/92/528132592.db2.gz OSKNULUFSXXGPB-UHFFFAOYSA-N 0 0 385.504 5.695 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408586292 528132624 /nfs/dbraw/zinc/13/26/24/528132624.db2.gz MQHHDPJJVZQXAN-UHFFFAOYSA-N 0 0 393.449 6.697 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408586138 528133167 /nfs/dbraw/zinc/13/31/67/528133167.db2.gz LKPHACBWYNAQLC-UHFFFAOYSA-N 0 0 394.342 6.985 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000408737887 528133952 /nfs/dbraw/zinc/13/39/52/528133952.db2.gz YYCVESBWQKMFPT-SILNSSARSA-N 0 0 397.902 6.034 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O ZINC000408974958 528134223 /nfs/dbraw/zinc/13/42/23/528134223.db2.gz GPGBEPRKXNZCME-FXBPSFAMSA-N 0 0 377.484 5.689 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000100171832 528134407 /nfs/dbraw/zinc/13/44/07/528134407.db2.gz SMVJMUCNWKCWNC-SILNSSARSA-N 0 0 381.447 5.519 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000100171919 528134580 /nfs/dbraw/zinc/13/45/80/528134580.db2.gz GLVZYVKUJYBTQN-PGMHBOJBSA-N 0 0 381.447 5.519 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1CC ZINC000408561703 528139527 /nfs/dbraw/zinc/13/95/27/528139527.db2.gz KIZCAYMTXNHBQY-UHFFFAOYSA-N 0 0 394.972 5.195 40 30 GKEBRN CC(C)COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409092432 528143307 /nfs/dbraw/zinc/14/33/07/528143307.db2.gz YCECSNBKUDZCIO-LSHDLFTRSA-N 0 0 381.354 5.094 40 30 GKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408541742 528146964 /nfs/dbraw/zinc/14/69/64/528146964.db2.gz HLHVFCWMWWKUHB-CAPFRKAQSA-N 0 0 380.513 5.537 40 30 GKEBRN CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408886945 528148908 /nfs/dbraw/zinc/14/89/08/528148908.db2.gz MYGLEHKENRPFBH-PGMHBOJBSA-N 0 0 394.540 5.846 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409092884 528152914 /nfs/dbraw/zinc/15/29/14/528152914.db2.gz WNCYOOLSUPKGKP-AUWJEWJLSA-N 0 0 396.657 5.542 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F ZINC000409076441 528153022 /nfs/dbraw/zinc/15/30/22/528153022.db2.gz BCOZWBKADSEYGT-AUWJEWJLSA-N 0 0 380.202 5.028 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409091595 528154167 /nfs/dbraw/zinc/15/41/67/528154167.db2.gz RRGJQLQONLUDPU-NSIKDUERSA-N 0 0 396.657 5.542 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N/c1ccc(Cl)cc1 ZINC000409084980 528162179 /nfs/dbraw/zinc/16/21/79/528162179.db2.gz YOTCLLMDSUXDSR-YISMEOAQSA-N 0 0 386.904 5.363 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409092542 528162393 /nfs/dbraw/zinc/16/23/93/528162393.db2.gz WYCGUINFDABPPY-YISMEOAQSA-N 0 0 386.904 5.363 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408912154 528163498 /nfs/dbraw/zinc/16/34/98/528163498.db2.gz LHVSQWYFOQIQGG-DXWKDWEQSA-N 0 0 392.568 6.307 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408915743 528164001 /nfs/dbraw/zinc/16/40/01/528164001.db2.gz QVDRHZKWDVGKKX-QNQNADBQSA-N 0 0 396.512 5.026 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OCC)c3)c2C)cc1 ZINC000100212103 528195612 /nfs/dbraw/zinc/19/56/12/528195612.db2.gz RYXKREINSJBHQO-PCLIKHOPSA-N 0 0 390.483 5.420 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 ZINC000408787258 528196041 /nfs/dbraw/zinc/19/60/41/528196041.db2.gz VZJRXCNLMRAZAD-AFUMVMLFSA-N 0 0 394.902 5.983 40 30 GKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1O ZINC000408915139 528196119 /nfs/dbraw/zinc/19/61/19/528196119.db2.gz PEMUNJQBCLNGIG-DYEBMTOPSA-N 0 0 396.512 5.112 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 ZINC000408781241 528196596 /nfs/dbraw/zinc/19/65/96/528196596.db2.gz AXNZOFTVKBFLDU-OYKKKHCWSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O ZINC000409091879 528200600 /nfs/dbraw/zinc/20/06/00/528200600.db2.gz SVUHMFMOJZZYJN-GMJSKMFWSA-N 0 0 382.529 5.626 40 30 GKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000408984672 528233610 /nfs/dbraw/zinc/23/36/10/528233610.db2.gz JMQDAODXMFLEHA-HZHRSRAPSA-N 0 0 395.528 5.834 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)c1 ZINC000408966372 528246024 /nfs/dbraw/zinc/24/60/24/528246024.db2.gz LFULRZXNJXTSDM-ZVHZXABRSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)c1 ZINC000408965503 528246044 /nfs/dbraw/zinc/24/60/44/528246044.db2.gz HWGUMTZPUWMCAT-JVWAILMASA-N 0 0 397.478 5.570 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1 ZINC000408959587 528246102 /nfs/dbraw/zinc/24/61/02/528246102.db2.gz BLVWKVBABNJEKO-QQXSKIMKSA-N 0 0 388.511 5.892 40 30 GKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(C)C ZINC000408899079 528256979 /nfs/dbraw/zinc/25/69/79/528256979.db2.gz SORQUQGXZJNVSH-UHFFFAOYSA-N 0 0 396.483 5.001 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409090009 528293698 /nfs/dbraw/zinc/29/36/98/528293698.db2.gz NZRAZFLNLSEQCK-LZCVXGSNSA-N 0 0 383.561 5.961 40 30 GKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc1 ZINC000059426807 528293872 /nfs/dbraw/zinc/29/38/72/528293872.db2.gz NQLQEGWAGZFDMN-ZHZULCJRSA-N 0 0 379.529 5.041 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3C)cc1)OCO2 ZINC000409097413 528337725 /nfs/dbraw/zinc/33/77/25/528337725.db2.gz IJPKVHNZTBDJDT-OYKKKHCWSA-N 0 0 375.424 5.665 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccc(C)cc3)cc1)OCO2 ZINC000409098437 528338578 /nfs/dbraw/zinc/33/85/78/528338578.db2.gz PWNZAVKJSMMNLC-OYKKKHCWSA-N 0 0 375.424 5.665 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 ZINC000409187570 528358574 /nfs/dbraw/zinc/35/85/74/528358574.db2.gz RYOSJMHYXZBGIJ-OEAKJJBVSA-N 0 0 377.444 5.460 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 ZINC000408910572 528368895 /nfs/dbraw/zinc/36/88/95/528368895.db2.gz IPQDDIPJLHEXBY-OCIPIQTLSA-N 0 0 380.513 5.272 40 30 GKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000113854128 528374996 /nfs/dbraw/zinc/37/49/96/528374996.db2.gz BJGITTXPRQDZME-MFKUBSTISA-N 0 0 395.886 6.077 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 ZINC000408909175 528450026 /nfs/dbraw/zinc/45/00/26/528450026.db2.gz GMKIAPZHZIFDPL-NVZLDUMVSA-N 0 0 394.540 5.716 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916038 528450227 /nfs/dbraw/zinc/45/02/27/528450227.db2.gz TZLKOPNYXUHQIN-FTJNEJEMSA-N 0 0 392.568 6.523 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408916019 528450303 /nfs/dbraw/zinc/45/03/03/528450303.db2.gz SYJXBFHFLCCDBA-QNQNADBQSA-N 0 0 396.512 5.113 40 30 GKEBRN CCOc1ccc(Cl)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409095615 528471262 /nfs/dbraw/zinc/47/12/62/528471262.db2.gz BNDZROQAZURDML-NKVSQWTQSA-N 0 0 387.745 5.112 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccccc1I ZINC000409097839 528471418 /nfs/dbraw/zinc/47/14/18/528471418.db2.gz NPYOEQLJSGZBNI-ZDLGFXPLSA-N 0 0 385.632 5.094 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409096190 528471637 /nfs/dbraw/zinc/47/16/37/528471637.db2.gz JPJFOZFQNVWVJF-ZVHZXABRSA-N 0 0 386.278 6.935 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 ZINC000408739758 528483884 /nfs/dbraw/zinc/48/38/84/528483884.db2.gz ABUBBMBTPZMRAE-MOSHPQCFSA-N 0 0 396.512 5.012 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(N=Nc3ccc(C)cc3)cc2)C1 ZINC000408563616 528598347 /nfs/dbraw/zinc/59/83/47/528598347.db2.gz QGFQSUJAFPXTKE-CJLBSHFLSA-N 0 0 389.543 7.512 40 30 GKEBRN CCCOc1c(Cl)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl ZINC000409078671 528612625 /nfs/dbraw/zinc/61/26/25/528612625.db2.gz HUXGMLJZDFUYJQ-ZROIWOOFSA-N 0 0 376.239 5.127 40 30 GKEBRN CCOc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409080494 528627488 /nfs/dbraw/zinc/62/74/88/528627488.db2.gz IFUUGHLFCJLVCP-QQXSKIMKSA-N 0 0 375.512 6.009 40 30 GKEBRN CCOc1cccc(/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)c1 ZINC000408854438 528627514 /nfs/dbraw/zinc/62/75/14/528627514.db2.gz FUFIOOZCZYBPOB-UCQKPKSFSA-N 0 0 397.316 6.006 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1 ZINC000408909570 528641195 /nfs/dbraw/zinc/64/11/95/528641195.db2.gz VHGAABXIJUEWDG-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCCCOc1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 ZINC000409050101 528657485 /nfs/dbraw/zinc/65/74/85/528657485.db2.gz YUQPZOJHMYZRLN-UCQKPKSFSA-N 0 0 378.497 5.652 40 30 GKEBRN CCCCOc1ccc2ccccc2c1/C=N\NC(=S)Nc1ccccc1 ZINC000409014541 528691064 /nfs/dbraw/zinc/69/10/64/528691064.db2.gz QBEPUEDOYYKJGB-KQWNVCNZSA-N 0 0 377.513 5.339 40 30 GKEBRN CCCOc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000408600957 528767332 /nfs/dbraw/zinc/76/73/32/528767332.db2.gz HTAFRLJOGROHPF-HAWKZNDISA-N 0 0 380.557 6.310 40 30 GKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000408907290 528767699 /nfs/dbraw/zinc/76/76/99/528767699.db2.gz AQRHYZASMFBYKZ-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 ZINC000409041560 528809545 /nfs/dbraw/zinc/80/95/45/528809545.db2.gz WFXNIRPZKYRHDZ-WMDMUMDLSA-N 0 0 395.375 5.810 40 30 GKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N1CC ZINC000408928356 528829654 /nfs/dbraw/zinc/82/96/54/528829654.db2.gz AHZYDPRNDDCRLW-SAPPFYIZSA-N 0 0 381.545 5.023 40 30 GKEBRN CC1(C)CC(=O)C=C(/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)C1 ZINC000016577608 528877947 /nfs/dbraw/zinc/87/79/47/528877947.db2.gz WZTBFQXAKDOOBP-ONEGZZNKSA-N 0 0 397.154 6.617 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(F)cc1 ZINC000408960086 528943618 /nfs/dbraw/zinc/94/36/18/528943618.db2.gz JFUXNHINZLBNTM-OIBHPTRJSA-N 0 0 395.503 5.050 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc32)S/C1=N/c1ccc(OC)cc1 ZINC000409252515 528944207 /nfs/dbraw/zinc/94/42/07/528944207.db2.gz SIURIFSAGLKPRN-ATAQLJSPSA-N 0 0 391.496 5.109 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1cc(C)ccc1C ZINC000408909251 528944520 /nfs/dbraw/zinc/94/45/20/528944520.db2.gz GXLVFIAMQKDOID-RRJMXWIWSA-N 0 0 389.524 5.717 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N/c1ccc(F)cc1 ZINC000409236382 528944567 /nfs/dbraw/zinc/94/45/67/528944567.db2.gz FQMUWZTYBQYYBA-UGUJKLNUSA-N 0 0 378.831 5.242 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409255437 528944767 /nfs/dbraw/zinc/94/47/67/528944767.db2.gz ZTDCFNCMOYWQIR-XATRHVNRSA-N 0 0 396.512 5.106 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(SC)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409234826 528945797 /nfs/dbraw/zinc/94/57/97/528945797.db2.gz MVVPYHRPKPMMQH-KXNKKEQVSA-N 0 0 384.526 5.041 40 30 GKEBRN CC(C)N1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408907086 528968650 /nfs/dbraw/zinc/96/86/50/528968650.db2.gz LRQAPNMPJRZEJH-NZQUJZJYSA-N 0 0 391.323 6.006 40 30 GKEBRN CC(C)N1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1ccccc1 ZINC000408912864 528969224 /nfs/dbraw/zinc/96/92/24/528969224.db2.gz RSMWQIVNNASHIA-ASAAXKBXSA-N 0 0 391.290 5.055 40 30 GKEBRN CC(C)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408913336 528969282 /nfs/dbraw/zinc/96/92/82/528969282.db2.gz SWLPJHNUHAQVRY-ADGFTTEDSA-N 0 0 378.541 5.997 40 30 GKEBRN CCCCc1ccc(/N=C/c2ccc(/C=N\c3ccc(CCCC)cc3)cc2)cc1 ZINC000096034865 529018392 /nfs/dbraw/zinc/01/83/92/529018392.db2.gz OWDOPPGNUYIHFQ-DWVPNOFWSA-N 0 0 396.578 7.873 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000409377493 529186722 /nfs/dbraw/zinc/18/67/22/529186722.db2.gz ITUBADQEBOESNL-GMDDEGIZSA-N 0 0 376.840 5.493 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2)cc1OC ZINC000409377326 529186836 /nfs/dbraw/zinc/18/68/36/529186836.db2.gz GIYRDAIQMLOSTP-AEOXGOBCSA-N 0 0 375.852 5.063 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC ZINC000409384625 529186858 /nfs/dbraw/zinc/18/68/58/529186858.db2.gz DPHLZERYHVOZAP-GNYKCMPYSA-N 0 0 393.914 6.944 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N(CC)CC)cc2)cc1OC ZINC000409376146 529186900 /nfs/dbraw/zinc/18/69/00/529186900.db2.gz VCAFBKBKOYOVNL-WTJYETQFSA-N 0 0 388.939 6.123 40 30 GKEBRN CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409209350 529197395 /nfs/dbraw/zinc/19/73/95/529197395.db2.gz GEFJPKNQFZTQJG-JEGMPFIMSA-N 0 0 394.584 6.699 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409249528 529273662 /nfs/dbraw/zinc/27/36/62/529273662.db2.gz JMPGOTFUYGUDLT-JTOGBTRBSA-N 0 0 384.498 7.093 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916580 529349718 /nfs/dbraw/zinc/34/97/18/529349718.db2.gz YCHSIUFYQITUNL-YWRZKIKVSA-N 0 0 395.484 5.306 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913558 529349839 /nfs/dbraw/zinc/34/98/39/529349839.db2.gz MYFVBSCRXBIGAB-QIZRFRSPSA-N 0 0 394.540 5.715 40 30 GKEBRN CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000030882459 560089849 /nfs/dbraw/zinc/08/98/49/560089849.db2.gz PGEHXJQIJSYLEL-HBFSDRIKSA-N 0 0 392.465 5.480 40 30 biogenic,in-vitro GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C ZINC000003947571 560191655 /nfs/dbraw/zinc/19/16/55/560191655.db2.gz QYSXJUFSXHHAJI-YHJXBONMSA-N 0 0 384.648 7.619 40 30 biogenic,in-vitro GKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 ZINC000005048862 560200460 /nfs/dbraw/zinc/20/04/60/560200460.db2.gz MONPOCASPAGPNP-KSEOMHKRSA-N 0 0 386.557 5.699 40 30 in-vitro GKEBRN C=CCc1cc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC ZINC000223318099 570244991 /nfs/dbraw/zinc/24/49/91/570244991.db2.gz LAEZEBHIAGMJIC-QGZVFWFLSA-N 0 0 381.516 5.355 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc2ccccc21 ZINC000016711366 570249790 /nfs/dbraw/zinc/24/97/90/570249790.db2.gz SQCSYYBCOCQDNS-GYHWCHFESA-N 0 0 376.912 6.442 40 30 GKEBRN CCNC(=O)/C=C/CCC#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000001635020 570252051 /nfs/dbraw/zinc/25/20/51/570252051.db2.gz MJQKFFOBZMKGQM-UXBLZVDNSA-N 0 0 397.590 6.029 40 30 GKEBRN CCCCCCCSc1ncnc2c1ncn2C(=O)Sc1ccccc1 ZINC000001562110 570264812 /nfs/dbraw/zinc/26/48/12/570264812.db2.gz OXMHIFABQKGZCI-UHFFFAOYSA-N 0 0 386.546 5.649 40 30 GKEBRN CCCCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000001573738 570265067 /nfs/dbraw/zinc/26/50/67/570265067.db2.gz HBBKXEBKTZSHIP-XQNSMLJCSA-N 0 0 398.597 7.205 40 30 GKEBRN CC(C)CC(=O)C[C@H](c1ccccc1)[C@H](C(=O)/C=C/c1ccccc1)C(C)C ZINC000001577846 570265277 /nfs/dbraw/zinc/26/52/77/570265277.db2.gz GXELYPUYAMBBKI-LZLHQAPRSA-N 0 0 376.540 6.330 40 30 GKEBRN CCCCCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 ZINC000001593428 570265673 /nfs/dbraw/zinc/26/56/73/570265673.db2.gz XQMVVBXFSGIEQO-QHCPKHFHSA-N 0 0 395.543 7.057 40 30 GKEBRN O=C(O/N=C(\c1cccs1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000001705032 570267373 /nfs/dbraw/zinc/26/73/73/570267373.db2.gz ZJNOKVLUHFRMDX-BZZOAKBMSA-N 0 0 398.487 6.475 40 30 GKEBRN O=C1/C(=C\c2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000005773051 570273350 /nfs/dbraw/zinc/27/33/50/570273350.db2.gz NZYZIAWPURSRKR-FTJNEJEMSA-N 0 0 384.504 5.359 40 30 GKEBRN O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1ccc(Cl)cc1Cl ZINC000005863131 570274056 /nfs/dbraw/zinc/27/40/56/570274056.db2.gz BHQPWWHSFIFUPU-QPEQYQDCSA-N 0 0 397.055 5.100 40 30 GKEBRN Cc1cc([N+](=O)[O-])cc(/C=N\c2ccc(-c3nc4ccccc4s3)cc2)c1[O-] ZINC000100926135 570279448 /nfs/dbraw/zinc/27/94/48/570279448.db2.gz UTSODLVWCAIESI-UUYOSTAYSA-N 0 0 389.436 5.636 40 30 GKEBRN O/N=C1/CCC=CCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100977153 570280012 /nfs/dbraw/zinc/28/00/12/570280012.db2.gz QOBHJLJXLNHTCW-JNSYTVTDSA-N 0 0 390.508 6.430 40 30 GKEBRN Cc1ccc(C)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 ZINC000035288593 570280911 /nfs/dbraw/zinc/28/09/11/570280911.db2.gz UNFFYFMKOCILNQ-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 ZINC000035288894 570280994 /nfs/dbraw/zinc/28/09/94/570280994.db2.gz WHLCFQHBTBOZLX-UHFFFAOYSA-N 0 0 379.460 5.100 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000020761218 570281550 /nfs/dbraw/zinc/28/15/50/570281550.db2.gz ZLQNXNGTMFKQML-MFKUBSTISA-N 0 0 380.875 5.051 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c(Br)c2)o1 ZINC000020761884 570282288 /nfs/dbraw/zinc/28/22/88/570282288.db2.gz BWJGCFQIIFLVJD-YDZHTSKRSA-N 0 0 399.288 5.150 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000020762744 570282473 /nfs/dbraw/zinc/28/24/73/570282473.db2.gz LRWNHIOFSSOIDC-MFKUBSTISA-N 0 0 380.875 5.051 40 30 GKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccccc2C)c2ccccc12 ZINC000020762164 570282614 /nfs/dbraw/zinc/28/26/14/570282614.db2.gz IIACHBIUPPHVHI-JVWAILMASA-N 0 0 383.495 5.130 40 30 GKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000020762227 570282619 /nfs/dbraw/zinc/28/26/19/570282619.db2.gz RTIGZTLILZYISM-ZVHZXABRSA-N 0 0 380.875 5.051 40 30 GKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(C)cc2)c2ccccc12 ZINC000020763579 570282982 /nfs/dbraw/zinc/28/29/82/570282982.db2.gz DVMIKYCFSXNBOE-OGLMXYFKSA-N 0 0 397.522 5.439 40 30 GKEBRN C#CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl ZINC000041635781 570292862 /nfs/dbraw/zinc/29/28/62/570292862.db2.gz MQTLDMJXJGBTPX-UHFFFAOYSA-N 0 0 385.088 5.380 40 30 GKEBRN O=C(/C(=N\N=C/c1c(O)ccc2ccccc21)c1ccccc1)c1ccccc1 ZINC000104132344 570298338 /nfs/dbraw/zinc/29/83/38/570298338.db2.gz HDARXOBQELQFES-LXJFTCGDSA-N 0 0 378.431 5.252 40 30 GKEBRN CCCCCCCCCc1ccc(O[C@H](C)OCCOCCOCC)cc1 ZINC000104158461 570298489 /nfs/dbraw/zinc/29/84/89/570298489.db2.gz GBANMXYSFHVOTH-OAQYLSRUSA-N 0 0 380.569 5.774 40 30 GKEBRN CCCCCCCCCCCCCCCCCCNC(=O)N1CCCC[C@@H]1C ZINC000104165097 570298527 /nfs/dbraw/zinc/29/85/27/570298527.db2.gz HJKSQYHELAKUJY-DEOSSOPVSA-N 0 0 394.688 7.832 40 30 GKEBRN Cc1cc(/N=C\c2ccc(Cl)cc2)c(/N=C\c2ccc(Cl)cc2)cc1C ZINC000104153334 570298662 /nfs/dbraw/zinc/29/86/62/570298662.db2.gz HTRIWMYBNMNFQO-WFBNZKAHSA-N 0 0 381.306 7.111 40 30 GKEBRN CCCCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 ZINC000104249301 570300050 /nfs/dbraw/zinc/30/00/50/570300050.db2.gz NDLYVNZQECWOJK-JOCHJYFZSA-N 0 0 381.516 6.667 40 30 GKEBRN Cc1ccc(-c2oc(/C=N\c3ccccc3)c([N+](=O)[O-])c2-c2ccc(C)cc2)cc1 ZINC000104302585 570301140 /nfs/dbraw/zinc/30/11/40/570301140.db2.gz YHIAXMWOWGCPTE-QQXSKIMKSA-N 0 0 396.446 6.889 40 30 GKEBRN CCCCCCCCCCCCCCCC[NH2+]CCCCCCCC(=O)[O-] ZINC000104338805 570301517 /nfs/dbraw/zinc/30/15/17/570301517.db2.gz CDJVLWUCVZASPM-UHFFFAOYSA-N 0 0 383.661 7.483 40 30 GKEBRN CCCCCCCCCCCCCCCC/N=C/c1cc(Cl)ccc1O ZINC000104363807 570301883 /nfs/dbraw/zinc/30/18/83/570301883.db2.gz CWMVHMKAKGUVAY-LKUDQCMESA-N 0 0 380.016 7.946 40 30 GKEBRN CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO ZINC000104356460 570301972 /nfs/dbraw/zinc/30/19/72/570301972.db2.gz OMZAMCAGPDORCB-UHFFFAOYSA-N 0 0 396.616 6.091 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1cccc2ccccc12 ZINC000104380321 570302132 /nfs/dbraw/zinc/30/21/32/570302132.db2.gz ZULJURZPKSKYIC-LHLOQNFPSA-N 0 0 397.632 6.559 40 30 GKEBRN CCCCCCCCCCCCCCCCCCS(=O)(=O)C[C@H](O)CO ZINC000104382104 570302181 /nfs/dbraw/zinc/30/21/81/570302181.db2.gz AOWBDZQRLRUZSD-OAQYLSRUSA-N 0 0 392.646 5.016 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)Nc1nc(N)nc(N)n1 ZINC000104380767 570302212 /nfs/dbraw/zinc/30/22/12/570302212.db2.gz WZLRSHAZJIUYQJ-UHFFFAOYSA-N 0 0 392.592 5.236 40 30 GKEBRN CCCC/C=N/NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376910 570302294 /nfs/dbraw/zinc/30/22/94/570302294.db2.gz IONSLGUKLOCFAL-DARPEHSRSA-N 0 0 383.690 7.108 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/C(C)=C\c1ccccc1 ZINC000104386657 570302544 /nfs/dbraw/zinc/30/25/44/570302544.db2.gz BWONBQIZMOWFQC-GRXPJKNZSA-N 0 0 387.637 6.461 40 30 GKEBRN C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223614069 570302970 /nfs/dbraw/zinc/30/29/70/570302970.db2.gz UCYUDACGLLCXOY-DEFALTHMSA-N 0 0 396.556 5.165 40 30 GKEBRN COc1cccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000002816603 570304762 /nfs/dbraw/zinc/30/47/62/570304762.db2.gz QEHHPXIRYCLHNX-WYMPLXKRSA-N 0 0 396.277 6.296 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)SC1=S ZINC000208511801 570310348 /nfs/dbraw/zinc/31/03/48/570310348.db2.gz DGXGIFCZJUKMRU-PDGQHHTCSA-N 0 0 384.570 5.096 40 30 GKEBRN C=CCN(C(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N)c1ccccc1 ZINC000032117764 570312181 /nfs/dbraw/zinc/31/21/81/570312181.db2.gz UBKYZZDFQGVKIM-UHFFFAOYSA-N 0 0 391.418 5.039 40 30 GKEBRN Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000122115942 570318558 /nfs/dbraw/zinc/31/85/58/570318558.db2.gz YMSNYXZYNBOINX-LYPNIYGQSA-N 0 0 390.567 5.881 40 30 GKEBRN Cc1ccsc1/C=C1\C[C@H](c2ccccc2)C/C(=C/c2sccc2C)C1=O ZINC000585139669 570320001 /nfs/dbraw/zinc/32/00/01/570320001.db2.gz PYDMONRVAWKWEV-ZQUKCHCMSA-N 0 0 390.573 7.040 40 30 GKEBRN COc1cccc(C(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 ZINC000035314359 570323475 /nfs/dbraw/zinc/32/34/75/570323475.db2.gz MXNIETDDHAQJJT-UHFFFAOYSA-N 0 0 376.481 5.213 40 30 GKEBRN C=CCOc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000408573340 570326033 /nfs/dbraw/zinc/32/60/33/570326033.db2.gz BPOHFTVKEZSFEU-UHFFFAOYSA-N 0 0 382.312 5.430 40 30 GKEBRN C=CCOc1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 ZINC000408573918 570341920 /nfs/dbraw/zinc/34/19/20/570341920.db2.gz FJIMHUYFCSCACZ-JJIBRWJFSA-N 0 0 385.463 5.439 40 30 GKEBRN CCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000408628951 570348618 /nfs/dbraw/zinc/34/86/18/570348618.db2.gz YOYOACPFNDBKHM-ZDUSSCGKSA-N 0 0 391.606 5.164 40 30 GKEBRN Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1C ZINC000408629254 570348941 /nfs/dbraw/zinc/34/89/41/570348941.db2.gz SMEWYVSKFQPIJX-INIZCTEOSA-N 0 0 396.556 5.405 40 30 GKEBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000408629072 570348968 /nfs/dbraw/zinc/34/89/68/570348968.db2.gz LBCMYCPOAYRPOA-AATRIKPKSA-N 0 0 393.295 5.076 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1Br ZINC000408617999 570350686 /nfs/dbraw/zinc/35/06/86/570350686.db2.gz BQDIFPPKQWWLOQ-OUKQBFOZSA-N 0 0 380.285 5.753 40 30 GKEBRN O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408618147 570351102 /nfs/dbraw/zinc/35/11/02/570351102.db2.gz CINOCWQVUJMLAQ-XNTDXEJSSA-N 0 0 393.280 5.924 40 30 GKEBRN N#Cc1c2c(sc1NC(=O)c1cc(-c3cccc(Cl)c3)on1)CCCC2 ZINC000004881046 570354613 /nfs/dbraw/zinc/35/46/13/570354613.db2.gz LFMJSBOUQSYXMT-UHFFFAOYSA-N 0 0 383.860 5.059 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@H]2c1ccc(Cl)cc1 ZINC000004235648 570363670 /nfs/dbraw/zinc/36/36/70/570363670.db2.gz LPCQXRIEZWGTFA-JOCHJYFZSA-N 0 0 387.910 6.694 40 30 GKEBRN C(#Cc1ccc(/N=C/c2ccccc2)cc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000004266563 570364583 /nfs/dbraw/zinc/36/45/83/570364583.db2.gz DKWMYOLNZFJCLD-VFIVCBTMSA-N 0 0 384.482 6.588 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913012 570366361 /nfs/dbraw/zinc/36/63/61/570366361.db2.gz GPXIDAWDPZQTOS-CZRUWHASSA-N 0 0 384.648 7.597 40 30 GKEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000118927824 570368332 /nfs/dbraw/zinc/36/83/32/570368332.db2.gz VWIGOBCYZDKRDK-HSOJLZTNSA-N 0 0 398.675 7.987 40 30 GKEBRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930609 570368829 /nfs/dbraw/zinc/36/88/29/570368829.db2.gz UJAUIJIBACQMCG-RWRVNDKOSA-N 0 0 398.465 5.238 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 ZINC000118936482 570369368 /nfs/dbraw/zinc/36/93/68/570369368.db2.gz RWSNWUWVSNWYPS-SHOVYKMPSA-N 0 0 394.599 5.852 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)OCC)c(Cl)c1 ZINC000219816474 570373399 /nfs/dbraw/zinc/37/33/99/570373399.db2.gz OQPAZUKUUHFNBT-UHFFFAOYSA-N 0 0 375.877 5.047 40 30 GKEBRN CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@@H](CCCC)C[C@@H]1C#N ZINC000004416943 570374472 /nfs/dbraw/zinc/37/44/72/570374472.db2.gz WGKZWDKWFFLRAI-AIXDYYESSA-N 0 0 387.608 7.139 40 30 GKEBRN O=C(/C=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1 ZINC000408625363 570376860 /nfs/dbraw/zinc/37/68/60/570376860.db2.gz XUQNLENJSDROKL-SDNWHVSQSA-N 0 0 393.280 5.924 40 30 GKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 ZINC000006880653 570385337 /nfs/dbraw/zinc/38/53/37/570385337.db2.gz WBNFHSNPJKWFOB-YBFXNURJSA-N 0 0 397.110 5.751 40 30 GKEBRN C(=N/c1ccc(/C=C\c2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000004701368 570394957 /nfs/dbraw/zinc/39/49/57/570394957.db2.gz YOOGCVVZLJISDY-DJLMYIGMSA-N 0 0 386.498 7.358 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000408758281 570395359 /nfs/dbraw/zinc/39/53/59/570395359.db2.gz IEVHIRBJTWVFAX-OYKKKHCWSA-N 0 0 375.472 5.932 40 30 GKEBRN COc1cc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004710555 570396640 /nfs/dbraw/zinc/39/66/40/570396640.db2.gz BATCJNQHQPKXCX-QHCPKHFHSA-N 0 0 399.490 5.755 40 30 GKEBRN COc1ccc([C@@H]2c3ccc4ncccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004710546 570396765 /nfs/dbraw/zinc/39/67/65/570396765.db2.gz VAEWZBUYISPXMC-JOCHJYFZSA-N 0 0 384.479 5.444 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc2c3c(cccc31)CC2 ZINC000408761850 570397120 /nfs/dbraw/zinc/39/71/20/570397120.db2.gz LZUPDORKFIYBEA-UNOMPAQXSA-N 0 0 390.895 5.483 40 30 GKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006959729 570404423 /nfs/dbraw/zinc/40/44/23/570404423.db2.gz ZCRBNNZWIZRGRJ-LPYMAVHISA-N 0 0 388.305 5.780 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408772276 570405717 /nfs/dbraw/zinc/40/57/17/570405717.db2.gz NLILMFAYYWKVKO-PDGQHHTCSA-N 0 0 386.904 5.193 40 30 GKEBRN O=C(/C(=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004791997 570406069 /nfs/dbraw/zinc/40/60/69/570406069.db2.gz BNSSPRIZPRPVAS-QPLCGJKRSA-N 0 0 388.466 6.363 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1C1CCCC1 ZINC000408775954 570408665 /nfs/dbraw/zinc/40/86/65/570408665.db2.gz KVZZWDYBLJWLRD-BKUYFWCQSA-N 0 0 393.556 5.728 40 30 GKEBRN C=CCSc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 ZINC000001791804 570425127 /nfs/dbraw/zinc/42/51/27/570425127.db2.gz JEGPEGXHFGIQIX-UHFFFAOYSA-N 0 0 377.941 5.602 40 30 GKEBRN c1ccc2c(c1)-c1ccccc1C2=NN=c1c2ccccc2sc2ccccc21 ZINC000005031769 570425286 /nfs/dbraw/zinc/42/52/86/570425286.db2.gz KHKLIFYMNAYJSN-UHFFFAOYSA-N 0 0 388.495 6.388 40 30 GKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 ZINC000005052260 570426367 /nfs/dbraw/zinc/42/63/67/570426367.db2.gz YWBRWAVVINBCAK-YDZHTSKRSA-N 0 0 389.505 5.811 40 30 GKEBRN O=C1C=C(c2ccccc2)C(=O)[C@]2(c3ccccc3)C=CC[C@@H](c3ccccc3)[C@@H]12 ZINC000005203195 570431497 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ZINC000004596668 570631300 /nfs/dbraw/zinc/63/13/00/570631300.db2.gz ROVWWTOOFWGQGV-YRDALPOASA-N 0 0 386.238 6.571 40 30 GKEBRN FC(F)(F)c1cc(N=NCc2cccc(Cl)c2)nc(-c2ccccc2)n1 ZINC000004713111 570636720 /nfs/dbraw/zinc/63/67/20/570636720.db2.gz RWTNMCBNIQOIAR-FOKLQQMPSA-N 0 0 376.769 5.262 40 30 GKEBRN Cc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)/C(=N\c1ccccc1)S3 ZINC000004853893 570637879 /nfs/dbraw/zinc/63/78/79/570637879.db2.gz LNUUHJFFYWEWPM-OCEACIFDSA-N 0 0 395.531 6.339 40 30 GKEBRN CCCc1sc(N=NCc2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000004893261 570644369 /nfs/dbraw/zinc/64/43/69/570644369.db2.gz LIXCHWCJAODSOK-SSDVNMTOSA-N 0 0 391.327 5.910 40 30 GKEBRN Cc1nn(-c2ccccc2)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000033498321 570645622 /nfs/dbraw/zinc/64/56/22/570645622.db2.gz VZQMCZZZQMHMFX-YVNNLAQVSA-N 0 0 393.705 5.895 40 30 GKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000033718741 570645994 /nfs/dbraw/zinc/64/59/94/570645994.db2.gz YFWKEGHAVWZEJE-RCCKNPSSSA-N 0 0 386.476 5.157 40 30 GKEBRN CC(C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000004950056 570646488 /nfs/dbraw/zinc/64/64/88/570646488.db2.gz JVCOWIAQNHKFAC-UHFFFAOYSA-N 0 0 399.346 7.095 40 30 GKEBRN C=CCn1c(SCC(=C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000004904901 570646894 /nfs/dbraw/zinc/64/68/94/570646894.db2.gz JROHAWHZAKTFKQ-UHFFFAOYSA-N 0 0 378.541 5.132 40 30 GKEBRN COc1ccc(OC)c([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)c1 ZINC000004930279 570649230 /nfs/dbraw/zinc/64/92/30/570649230.db2.gz VRXVRERCBSXXOD-DEOSSOPVSA-N 0 0 385.463 5.422 40 30 GKEBRN Ic1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 ZINC000059104649 570649622 /nfs/dbraw/zinc/64/96/22/570649622.db2.gz OGKLNJGQMURBPC-XSFVSMFZSA-N 0 0 390.268 5.032 40 30 GKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cccc3ccccc23)C1=O ZINC000058883842 570650383 /nfs/dbraw/zinc/65/03/83/570650383.db2.gz RQMHUKMFHSIKBM-PXLXIMEGSA-N 0 0 383.447 5.025 40 30 GKEBRN CCOc1ccc2nc(SCc3c(Cl)cccc3Cl)c(C#N)cc2c1 ZINC000004994014 570650527 /nfs/dbraw/zinc/65/05/27/570650527.db2.gz FWLFSRVVCLGKPI-UHFFFAOYSA-N 0 0 389.307 6.104 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)S1 ZINC000059224418 570651602 /nfs/dbraw/zinc/65/16/02/570651602.db2.gz DPOIBLRWLGFCIF-UNOMPAQXSA-N 0 0 397.931 5.140 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000059249230 570652653 /nfs/dbraw/zinc/65/26/53/570652653.db2.gz IVDBWMJUFUTETF-CIAFOILYSA-N 0 0 389.680 5.652 40 30 GKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059250351 570653071 /nfs/dbraw/zinc/65/30/71/570653071.db2.gz UBMHJTHELFSOTR-XQNSMLJCSA-N 0 0 381.317 6.333 40 30 GKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C)cc1)c1ccc(C)cc1 ZINC000059459525 570654268 /nfs/dbraw/zinc/65/42/68/570654268.db2.gz UZMMRJKAEDTMKT-IVLOEBTASA-N 0 0 397.522 5.071 40 30 GKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 ZINC000059459286 570654286 /nfs/dbraw/zinc/65/42/86/570654286.db2.gz DRFMIOGMJWGDAJ-UFFVCSGVSA-N 0 0 399.859 5.230 40 30 GKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3c(Cl)cccc3Cl)nc1-2 ZINC000059459303 570654317 /nfs/dbraw/zinc/65/43/17/570654317.db2.gz ILVCDWCLRXSBQO-LSHDLFTRSA-N 0 0 389.307 5.975 40 30 GKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3c(O)ccc4ccccc43)nc1-2 ZINC000059459313 570654347 /nfs/dbraw/zinc/65/43/47/570654347.db2.gz GEKKFMICTHIHAK-ZMOGYAJESA-N 0 0 386.476 5.527 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471664 570654640 /nfs/dbraw/zinc/65/46/40/570654640.db2.gz FIRMSYPPOYQBOA-XQUDSNIVSA-N 0 0 395.462 6.172 40 30 GKEBRN Cc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463653 570654693 /nfs/dbraw/zinc/65/46/93/570654693.db2.gz LAAUZKZVPYVIJD-BUVRLJJBSA-N 0 0 399.475 6.444 40 30 GKEBRN Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471637 570654698 /nfs/dbraw/zinc/65/46/98/570654698.db2.gz KELVDCOUUNGIGF-IJOHZJHPSA-N 0 0 384.910 6.917 40 30 GKEBRN Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)c(Cl)c1 ZINC000059461328 570654720 /nfs/dbraw/zinc/65/47/20/570654720.db2.gz BYHMDPNBWWCVOH-FXMMDWOBSA-N 0 0 391.279 6.184 40 30 GKEBRN Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\CC(C)C)S3 ZINC000004969523 570655062 /nfs/dbraw/zinc/65/50/62/570655062.db2.gz WSBPJDCPWMKPKR-OCOZRVBESA-N 0 0 395.616 6.350 40 30 GKEBRN CCCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059387402 570655658 /nfs/dbraw/zinc/65/56/58/570655658.db2.gz UFVHORIVEOQJND-LPYMAVHISA-N 0 0 385.920 6.088 40 30 GKEBRN Fc1ccccc1COc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000059418084 570656554 /nfs/dbraw/zinc/65/65/54/570656554.db2.gz QIBFLJLBFJSCGE-YDZHTSKRSA-N 0 0 377.444 5.460 40 30 GKEBRN Fc1ccccc1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059418085 570656599 /nfs/dbraw/zinc/65/65/99/570656599.db2.gz PXSGPWVJEXAMRV-YDZHTSKRSA-N 0 0 377.444 5.460 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)cc1 ZINC000059427316 570656968 /nfs/dbraw/zinc/65/69/68/570656968.db2.gz FAGYCOWHHZPAEY-XYGWBWBKSA-N 0 0 390.483 5.420 40 30 GKEBRN COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)c1 ZINC000059566832 570657383 /nfs/dbraw/zinc/65/73/83/570657383.db2.gz GXNFJGNNUKTXRY-DHDCSXOGSA-N 0 0 393.295 5.202 40 30 GKEBRN O=[N+]([O-])c1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000059639073 570657433 /nfs/dbraw/zinc/65/74/33/570657433.db2.gz LRGJPELIJXCPLE-HKOYGPOVSA-N 0 0 382.423 5.558 40 30 GKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3C)cc1)N2 ZINC000059516416 570660074 /nfs/dbraw/zinc/66/00/74/570660074.db2.gz FTINJCLLUCBYNR-QEZKPBDHSA-N 0 0 378.519 6.881 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(Cl)cc3)c1)C2 ZINC000059503639 570660079 /nfs/dbraw/zinc/66/00/79/570660079.db2.gz VQTKDTSEXKYRKY-DHZHZOJOSA-N 0 0 387.910 6.373 40 30 GKEBRN O=C(C=CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000059942139 570660475 /nfs/dbraw/zinc/66/04/75/570660475.db2.gz DMJCZTDDCBMHOE-AATRIKPKSA-N 0 0 394.607 6.474 40 30 GKEBRN O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccccc1 ZINC000059678511 570660937 /nfs/dbraw/zinc/66/09/37/570660937.db2.gz ORZDXCALTISMIC-AQTBWJFISA-N 0 0 379.872 5.022 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)C ZINC000100297550 570667299 /nfs/dbraw/zinc/66/72/99/570667299.db2.gz QYSXJUFSXHHAJI-ROCHBWKDSA-N 0 0 384.648 7.619 40 30 GKEBRN Clc1ccc2c(c1)nccc2NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000006346253 570668567 /nfs/dbraw/zinc/66/85/67/570668567.db2.gz LGBKKBFTKOHKNO-CVKSISIWSA-N 0 0 387.870 5.913 40 30 GKEBRN CN1c2ccccc2C(C)(C)C1C=CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000006418939 570670495 /nfs/dbraw/zinc/67/04/95/570670495.db2.gz RKIBYYFVJZZRHD-GUGPTSIKSA-N 0 0 394.733 6.356 40 30 GKEBRN CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(F)cc1 ZINC000409012786 570671160 /nfs/dbraw/zinc/67/11/60/570671160.db2.gz KQSYSSXTBWMXRS-MPZUNYIRSA-N 0 0 396.418 5.459 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1 ZINC000408770890 570681924 /nfs/dbraw/zinc/68/19/24/570681924.db2.gz CFGHUVQIJSUVHF-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408775948 570682338 /nfs/dbraw/zinc/68/23/38/570682338.db2.gz KUCLLAZEMZZQQI-DTVDJLOLSA-N 0 0 375.472 6.266 40 30 GKEBRN O=C1c2ccccc2S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000408993368 570691550 /nfs/dbraw/zinc/69/15/50/570691550.db2.gz VUHSOKDCWPHMAL-BOPFTXTBSA-N 0 0 393.514 6.370 40 30 GKEBRN Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)c(Cl)c1 ZINC000409009420 570693149 /nfs/dbraw/zinc/69/31/49/570693149.db2.gz FNRCQNGQLCLSFV-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C#N)o3)S2)c(C)c1 ZINC000409008549 570694015 /nfs/dbraw/zinc/69/40/15/570694015.db2.gz XQLLEMOLHJQVCO-MTJSOVHGSA-N 0 0 399.475 5.327 40 30 GKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000409051926 570696225 /nfs/dbraw/zinc/69/62/25/570696225.db2.gz DONZZNAAVXMNGH-GFMRDNFCSA-N 0 0 379.525 5.455 40 30 GKEBRN Cc1sc(N=NC(C)c2ccc(C3CCCCC3)cc2)nc1-c1ccccc1 ZINC000409052500 570708809 /nfs/dbraw/zinc/70/88/09/570708809.db2.gz UEUBRTQKUZDGKP-ONUIUJJFSA-N 0 0 389.568 7.002 40 30 GKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000409051819 570708905 /nfs/dbraw/zinc/70/89/05/570708905.db2.gz GLIBGZHQUDMPIQ-HYARGMPZSA-N 0 0 394.456 5.119 40 30 GKEBRN Fc1ccc(COc2cccc(CN=NC(=S)Nc3ccccc3)c2)cc1 ZINC000001969641 570718695 /nfs/dbraw/zinc/71/86/95/570718695.db2.gz CGUCWBAFCNHNIU-OEAKJJBVSA-N 0 0 379.460 5.137 40 30 GKEBRN Cc1sc(NC(=O)CSc2nc3ccc(C)cc3cc2C)c(C#N)c1C ZINC000000915621 570725043 /nfs/dbraw/zinc/72/50/43/570725043.db2.gz WUJJBRVSIPRPGQ-UHFFFAOYSA-N 0 0 381.526 5.132 40 30 GKEBRN COc1c(Cl)ccc(Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000939897 570726367 /nfs/dbraw/zinc/72/63/67/570726367.db2.gz UQOOFJHRBAOBCL-UHFFFAOYSA-N 0 0 381.284 5.066 40 30 GKEBRN COc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000005379853 570732664 /nfs/dbraw/zinc/73/26/64/570732664.db2.gz BUYHRTUBMULQJJ-DJKKODMXSA-N 0 0 397.110 5.588 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Cl)c(Cl)c1 ZINC000005943791 570736878 /nfs/dbraw/zinc/73/68/78/570736878.db2.gz AQRLMQJKMWRPJN-IFRROFPPSA-N 0 0 378.137 5.366 40 30 GKEBRN Clc1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1Cl ZINC000008811425 570737233 /nfs/dbraw/zinc/73/72/33/570737233.db2.gz XSXCHGXTPFIIKO-FOKLQQMPSA-N 0 0 379.674 6.031 40 30 GKEBRN Clc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c(Cl)c1 ZINC000008811429 570738067 /nfs/dbraw/zinc/73/80/67/570738067.db2.gz XHUGJCXDSSMQJR-FOKLQQMPSA-N 0 0 379.674 6.031 40 30 GKEBRN Clc1ccccc1CN/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008811432 570738997 /nfs/dbraw/zinc/73/89/97/570738997.db2.gz BESLALWRSNAVPX-WSDLNYQXSA-N 0 0 389.680 5.486 40 30 GKEBRN CC/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CC ZINC000006634096 570748553 /nfs/dbraw/zinc/74/85/53/570748553.db2.gz OUGIOUYMMITYEF-UTYQVYOFSA-N 0 0 395.311 5.566 40 30 GKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000006963874 570754236 /nfs/dbraw/zinc/75/42/36/570754236.db2.gz XUBNQCFHMAZWJS-HZHRSRAPSA-N 0 0 396.284 6.391 40 30 GKEBRN Cc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2nc3ccccc3n21 ZINC000007495975 570759462 /nfs/dbraw/zinc/75/94/62/570759462.db2.gz YSCAAUYCTFNRIO-VOIUYBSRSA-N 0 0 395.462 5.353 40 30 GKEBRN N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1Cl ZINC000225882476 570777774 /nfs/dbraw/zinc/77/77/74/570777774.db2.gz IWKZXBCRRKYELK-UHFFFAOYSA-N 0 0 392.673 5.743 40 30 GKEBRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000604940966 570778357 /nfs/dbraw/zinc/77/83/57/570778357.db2.gz VWHLTGDFWDZMNR-IXKNJLPQSA-N 0 0 398.587 6.177 40 30 GKEBRN N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1ccc(Cl)cc1Cl ZINC000225882957 570778422 /nfs/dbraw/zinc/77/84/22/570778422.db2.gz NVBPHHLTQDUXLX-UHFFFAOYSA-N 0 0 376.218 5.228 40 30 GKEBRN Cc1ccc(Sc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000225888521 570792911 /nfs/dbraw/zinc/79/29/11/570792911.db2.gz YQORMIHQEYPUOY-UHFFFAOYSA-N 0 0 388.323 5.757 40 30 GKEBRN CCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000011992773 570800820 /nfs/dbraw/zinc/80/08/20/570800820.db2.gz SWPREOOEKSRDST-LFVJCYFKSA-N 0 0 393.556 5.946 40 30 GKEBRN CC(C)(C)c1ccc(OCCn2cc(C#N)c3cc(Br)ccc32)cc1 ZINC000005944458 570807378 /nfs/dbraw/zinc/80/73/78/570807378.db2.gz CKXPJEZMXYSOJZ-UHFFFAOYSA-N 0 0 397.316 5.652 40 30 GKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1 ZINC000012967314 570817496 /nfs/dbraw/zinc/81/74/96/570817496.db2.gz KSALMCYUAHPUPQ-YDZHTSKRSA-N 0 0 376.847 5.241 40 30 GKEBRN CN(C)c1cc(/N=C2\CCCN2c2ccc(Cl)c(Cl)c2)c2ccccc2n1 ZINC000003212589 570837839 /nfs/dbraw/zinc/83/78/39/570837839.db2.gz QZZPTJHJPZLWOI-LKUDQCMESA-N 0 0 399.325 5.938 40 30 GKEBRN Cc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000170522101 570844404 /nfs/dbraw/zinc/84/44/04/570844404.db2.gz IQCOVBQXPOSBDQ-UHFFFAOYSA-N 0 0 378.431 6.046 40 30 GKEBRN COc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000014163649 570878886 /nfs/dbraw/zinc/87/88/86/570878886.db2.gz NJJVRILPGLBSIR-OYLFLEFRSA-N 0 0 399.494 5.135 40 30 GKEBRN COc1cccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000014671942 570894404 /nfs/dbraw/zinc/89/44/04/570894404.db2.gz OOKHYCGSSNZBHB-QFIPXVFZSA-N 0 0 395.524 5.606 40 30 GKEBRN COc1ccc(Br)c(/C=N\c2ccc(Cl)c(Cl)c2)c1O ZINC000016215706 570918060 /nfs/dbraw/zinc/91/80/60/570918060.db2.gz WAFKVCFFZNYXAQ-WSVATBPTSA-N 0 0 375.049 5.221 40 30 GKEBRN Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000118918742 570920752 /nfs/dbraw/zinc/92/07/52/570920752.db2.gz DZQWNCYAOSAXOV-KSMZDEKXSA-N 0 0 376.584 6.990 40 30 GKEBRN C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118935223 570921266 /nfs/dbraw/zinc/92/12/66/570921266.db2.gz OMXMJJANSZPKPZ-JQLPBIJHSA-N 0 0 384.692 8.664 40 30 GKEBRN C=C1C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000118935547 570921310 /nfs/dbraw/zinc/92/13/10/570921310.db2.gz ACOZANUSWBYJDV-XBUBOJNLSA-N 0 0 388.548 5.059 40 30 GKEBRN 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40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1Cl ZINC000408739205 231109875 /nfs/dbraw/zinc/10/98/75/231109875.db2.gz TXYDHERXYSABJW-ODLFYWEKSA-N 0 0 378.884 5.693 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1Cl ZINC000408738969 231109992 /nfs/dbraw/zinc/10/99/92/231109992.db2.gz QSAYPFVRXHUCIX-UUASQNMZSA-N 0 0 397.714 5.847 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408742792 231110437 /nfs/dbraw/zinc/11/04/37/231110437.db2.gz YEKIKBALLOCWPB-FMCGGJTJSA-N 0 0 381.863 6.023 40 30 GKEBRN COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C ZINC000408769315 231113374 /nfs/dbraw/zinc/11/33/74/231113374.db2.gz QTJFGUQJBBMZNA-DHDCSXOGSA-N 0 0 393.295 5.202 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1C1CCCC1 ZINC000408769580 231113381 /nfs/dbraw/zinc/11/33/81/231113381.db2.gz VXAUOKMMXXUINN-ODLFYWEKSA-N 0 0 399.947 5.765 40 30 GKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408770839 231113401 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Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965844 231137009 /nfs/dbraw/zinc/13/70/09/231137009.db2.gz JAGPQLVLJQOGEY-QFEZKATASA-N 0 0 380.919 6.501 40 30 GKEBRN Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967513 231138361 /nfs/dbraw/zinc/13/83/61/231138361.db2.gz SZDCCPVKGMFTGP-QFEZKATASA-N 0 0 384.439 5.610 40 30 GKEBRN Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1 ZINC000408970621 231138412 /nfs/dbraw/zinc/13/84/12/231138412.db2.gz JKIZEMHFSXEKBN-BUVRLJJBSA-N 0 0 392.524 6.311 40 30 GKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccccc1)CCCCCC2 ZINC000408971886 231138535 /nfs/dbraw/zinc/13/85/35/231138535.db2.gz LKXNOXFPLJKIGS-KOEQRZSOSA-N 0 0 388.536 6.410 40 30 GKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1O ZINC000408976764 231139911 /nfs/dbraw/zinc/13/99/11/231139911.db2.gz GJAYWNKPKVLMGD-ZVHZXABRSA-N 0 0 392.524 6.323 40 30 GKEBRN Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccco3)c2C#N)cc1[N+](=O)[O-] ZINC000408976946 231140426 /nfs/dbraw/zinc/14/04/26/231140426.db2.gz TZFHQMWKWMBWIW-AFUMVMLFSA-N 0 0 397.390 6.046 40 30 GKEBRN N#Cc1c(N)nc2c(c1-c1ccc(-c3cc(Cl)ccc3Cl)o1)CCCC2 ZINC000408982722 231141907 /nfs/dbraw/zinc/14/19/07/231141907.db2.gz YUGCMQBNDHPLNK-UHFFFAOYSA-N 0 0 384.266 5.478 40 30 GKEBRN N#Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408983815 231142426 /nfs/dbraw/zinc/14/24/26/231142426.db2.gz CVXPUWNKVLJOND-XSFVSMFZSA-N 0 0 382.850 5.683 40 30 GKEBRN Cc1nn(-c2ccc(C)cc2)c(C)c1C=NNc1ccc(Br)cc1 ZINC000408994096 231143488 /nfs/dbraw/zinc/14/34/88/231143488.db2.gz FQXUKHAAMWDCFS-MTJSOVHGSA-N 0 0 383.293 5.006 40 30 GKEBRN Cc1cccc(Cn2cc(C=NNc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 ZINC000409002433 231145649 /nfs/dbraw/zinc/14/56/49/231145649.db2.gz ZVSFXFNDVFCFPK-ZVHZXABRSA-N 0 0 384.439 5.352 40 30 GKEBRN Cc1c2ccccc2c(/C=C2/SC(=Nc3ccccc3)NC2=O)c2ccccc12 ZINC000409003273 231145748 /nfs/dbraw/zinc/14/57/48/231145748.db2.gz ZCBLMOCZRIQAIK-HZHRSRAPSA-N 0 0 394.499 6.193 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c1C ZINC000409024386 231148854 /nfs/dbraw/zinc/14/88/54/231148854.db2.gz RRNVYTHRHHNUSQ-MTJSOVHGSA-N 0 0 399.475 5.327 40 30 GKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccccc1C ZINC000409035099 231149278 /nfs/dbraw/zinc/14/92/78/231149278.db2.gz IUWDXIWBSCUKIY-MWYAZZEHSA-N 0 0 395.322 5.116 40 30 GKEBRN FC(F)(F)c1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000409051340 231151498 /nfs/dbraw/zinc/15/14/98/231151498.db2.gz KZDHXWAEOXXRHU-JVWAILMASA-N 0 0 391.396 6.309 40 30 GKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408914546 231130049 /nfs/dbraw/zinc/13/00/49/231130049.db2.gz QNYWMEHVFZTVRR-AUEPDCJTSA-N 0 0 387.266 5.880 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2ccc3ccccc3c2)nc1 ZINC000408914030 231130589 /nfs/dbraw/zinc/13/05/89/231130589.db2.gz XDAIHPHNMYEBKL-QFEZKATASA-N 0 0 398.422 5.168 40 30 GKEBRN N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408918128 231131349 /nfs/dbraw/zinc/13/13/49/231131349.db2.gz GLLAMNVJSLZNQH-ZVHZXABRSA-N 0 0 383.363 5.737 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408950266 231133591 /nfs/dbraw/zinc/13/35/91/231133591.db2.gz MFAUKXANLQPCOH-ZPSIWAIZSA-N 0 0 394.518 6.581 40 30 GKEBRN FC(F)(F)c1cccc(-n2cccc2C=NNc2ccc3ccccc3n2)c1 ZINC000408943802 231134345 /nfs/dbraw/zinc/13/43/45/231134345.db2.gz YZWMGIKAXRBUKQ-AFUMVMLFSA-N 0 0 380.373 5.490 40 30 GKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409114150 231164931 /nfs/dbraw/zinc/16/49/31/231164931.db2.gz JCBPJEVGOSWCOC-LPYMAVHISA-N 0 0 382.803 5.800 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O ZINC000409161091 231172952 /nfs/dbraw/zinc/17/29/52/231172952.db2.gz WIXYPPHODPMBLA-NDENLUEZSA-N 0 0 386.432 5.055 40 30 GKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)ccc1Cl ZINC000409063378 231153041 /nfs/dbraw/zinc/15/30/41/231153041.db2.gz AXDXFTHZUSZVJB-WSDLNYQXSA-N 0 0 387.222 6.445 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409069286 231153829 /nfs/dbraw/zinc/15/38/29/231153829.db2.gz IHOUCPOQEOSUOA-CIAFOILYSA-N 0 0 384.848 5.240 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)cc1 ZINC000409067540 231153903 /nfs/dbraw/zinc/15/39/03/231153903.db2.gz FERAUIMCSKWPMD-MRUKODCESA-N 0 0 392.812 5.607 40 30 GKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1cccc(Br)c1 ZINC000409072799 231155055 /nfs/dbraw/zinc/15/50/55/231155055.db2.gz SMNYOQMZVWCKNW-BUHFOSPRSA-N 0 0 394.268 6.050 40 30 GKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl ZINC000409071468 231155237 /nfs/dbraw/zinc/15/52/37/231155237.db2.gz RNHKIFMDXYVJLQ-AFUMVMLFSA-N 0 0 394.902 6.467 40 30 GKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1C ZINC000409075659 231155602 /nfs/dbraw/zinc/15/56/02/231155602.db2.gz ZRMZSOLPMAPMFG-PXNMLYILSA-N 0 0 394.327 5.323 40 30 GKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc2ccccc2c1 ZINC000409082699 231155928 /nfs/dbraw/zinc/15/59/28/231155928.db2.gz TWTSEYCZENZRNB-QRQIAZFYSA-N 0 0 381.519 6.764 40 30 GKEBRN CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000409089464 231157060 /nfs/dbraw/zinc/15/70/60/231157060.db2.gz JEZHMUFXOXQNNL-HSOLMKNUSA-N 0 0 389.568 6.496 40 30 GKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\Sc2ccccc2NC1=O ZINC000409088890 231157200 /nfs/dbraw/zinc/15/72/00/231157200.db2.gz MCQOHYHXVZLDBW-XKZIYDEJSA-N 0 0 384.460 5.223 40 30 GKEBRN Cc1ccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409094059 231158441 /nfs/dbraw/zinc/15/84/41/231158441.db2.gz CNPFZNAUUJUYMG-RPPGKUMJSA-N 0 0 385.389 5.434 40 30 GKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(F)c(Cl)c1 ZINC000409090647 231158501 /nfs/dbraw/zinc/15/85/01/231158501.db2.gz MVUKIODPGAFSIG-LGJNPRDNSA-N 0 0 383.894 6.403 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000409097143 231159261 /nfs/dbraw/zinc/15/92/61/231159261.db2.gz LPBYYSGGYFYVME-WSDLNYQXSA-N 0 0 387.222 6.445 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)cc2)nc1 ZINC000409105901 231161308 /nfs/dbraw/zinc/16/13/08/231161308.db2.gz PDKAXDAJIHJPST-SRZZPIQSSA-N 0 0 384.848 5.240 40 30 GKEBRN N#Cc1ccc(COc2ccccc2/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000409104147 231161426 /nfs/dbraw/zinc/16/14/26/231161426.db2.gz FDHHHQRSNMIKGZ-XKZIYDEJSA-N 0 0 384.460 5.223 40 30 GKEBRN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1 ZINC000409109396 231162669 /nfs/dbraw/zinc/16/26/69/231162669.db2.gz CURYIXFORUUKIJ-MTJSOVHGSA-N 0 0 378.457 5.212 40 30 GKEBRN COc1ccccc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409378736 231197392 /nfs/dbraw/zinc/19/73/92/231197392.db2.gz QYPQUGUTCUBUMG-MFKUBSTISA-N 0 0 388.467 5.080 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Cl)c3)c2)cc1C ZINC000409378104 231197423 /nfs/dbraw/zinc/19/74/23/231197423.db2.gz LWHYPAYOSYCQNT-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000409170106 231174585 /nfs/dbraw/zinc/17/45/85/231174585.db2.gz SXJGQTCWOZMORR-FRKPEAEDSA-N 0 0 389.263 5.102 40 30 GKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000409376813 231197780 /nfs/dbraw/zinc/19/77/80/231197780.db2.gz DCKLVBWUBSQYGQ-YSMPRRRNSA-N 0 0 386.495 5.688 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409200992 231179036 /nfs/dbraw/zinc/17/90/36/231179036.db2.gz LAQDQCJOBMABBE-QRVIBDJDSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C ZINC000409203825 231179647 /nfs/dbraw/zinc/17/96/47/231179647.db2.gz ZBKJHWBQMVHZJQ-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000409208358 231180628 /nfs/dbraw/zinc/18/06/28/231180628.db2.gz FLGAEVVLGJSWNY-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1C ZINC000409210009 231180879 /nfs/dbraw/zinc/18/08/79/231180879.db2.gz IZQKJXKBXXBHRW-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3ccccc3C)cc2Br)cc1 ZINC000409211247 231180887 /nfs/dbraw/zinc/18/08/87/231180887.db2.gz NDQSADHEIOFHPO-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cccc(C)c2C)cc1 ZINC000409213949 231180948 /nfs/dbraw/zinc/18/09/48/231180948.db2.gz UPSIGOIMNMQAJD-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc2ccccc21 ZINC000409211689 231181032 /nfs/dbraw/zinc/18/10/32/231181032.db2.gz NURSSCDOFKKVKF-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN O=S(=O)(Oc1ccc2ccccc2c1/C=N/c1ccccc1)c1ccccc1 ZINC000409213881 231181193 /nfs/dbraw/zinc/18/11/93/231181193.db2.gz VNCIVDYWVACTPQ-JJIBRWJFSA-N 0 0 387.460 5.358 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F ZINC000409213118 231181412 /nfs/dbraw/zinc/18/14/12/231181412.db2.gz OPEYGJIMVWUCIQ-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409209490 231181425 /nfs/dbraw/zinc/18/14/25/231181425.db2.gz BXRCTXDZGPDRNI-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409212333 231181738 /nfs/dbraw/zinc/18/17/38/231181738.db2.gz OYCLIKVXTLXDRT-TURZUDJPSA-N 0 0 393.486 7.117 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)c(Cl)c2)c1 ZINC000409214285 231181949 /nfs/dbraw/zinc/18/19/49/231181949.db2.gz WMKWBXADEMRPFU-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cccc(Cl)c2C)c1 ZINC000409216559 231182102 /nfs/dbraw/zinc/18/21/02/231182102.db2.gz JIQBPZRRGYWMBB-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409214697 231182116 /nfs/dbraw/zinc/18/21/16/231182116.db2.gz ZZMGOMBDALMGLJ-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN O=[N+]([O-])c1cc(C=NNc2ccc(Br)cc2)c(Cl)cc1Cl ZINC000409214596 231182142 /nfs/dbraw/zinc/18/21/42/231182142.db2.gz YKULUKNOFAXJNJ-IDUWFGFVSA-N 0 0 389.036 5.110 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(C)ccc3C)cc2)cc1 ZINC000409214281 231182191 /nfs/dbraw/zinc/18/21/91/231182191.db2.gz SBUZQHFEYDYRTK-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1C ZINC000409219002 231182599 /nfs/dbraw/zinc/18/25/99/231182599.db2.gz ZLILGXZNFQGTOI-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)cc1 ZINC000409215452 231182621 /nfs/dbraw/zinc/18/26/21/231182621.db2.gz ZBBHADFFTKJUCL-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(C(C)(C)C)cc3)o2)c(Br)c1 ZINC000409223280 231183145 /nfs/dbraw/zinc/18/31/45/231183145.db2.gz FCQIGTWASULDQB-OYKKKHCWSA-N 0 0 396.328 7.066 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3cccc([N+](=O)[O-])c3)o2)c(Br)c1 ZINC000409228863 231183226 /nfs/dbraw/zinc/18/32/26/231183226.db2.gz GDDKNHAABBDOAW-JAIQZWGSSA-N 0 0 385.217 5.676 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(Br)cc3C)cc2)cc1 ZINC000409233347 231184721 /nfs/dbraw/zinc/18/47/21/231184721.db2.gz VCSVJQYPKALUAA-UCQKPKSFSA-N 0 0 396.353 6.968 40 30 GKEBRN CCOc1ccccc1/N=C\c1ccc(-c2ccc(C)cc2Br)o1 ZINC000409242291 231186168 /nfs/dbraw/zinc/18/61/68/231186168.db2.gz QISCOYYLOLXGFN-XKZIYDEJSA-N 0 0 384.273 6.167 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccn1 ZINC000409243082 231186438 /nfs/dbraw/zinc/18/64/38/231186438.db2.gz VHKDHLCVZIRBER-WPWMEQJKSA-N 0 0 381.479 6.340 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409245883 231186522 /nfs/dbraw/zinc/18/65/22/231186522.db2.gz AJXCJJIZOQDSBK-OYKKKHCWSA-N 0 0 388.402 5.183 40 30 GKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000409248854 231187550 /nfs/dbraw/zinc/18/75/50/231187550.db2.gz RRNZGCZGJCVBNX-WPWMEQJKSA-N 0 0 397.478 6.041 40 30 GKEBRN Cc1ccsc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409278140 231188228 /nfs/dbraw/zinc/18/82/28/231188228.db2.gz DLNVYXCXZRSFCM-UHFFFAOYSA-N 0 0 385.448 5.062 40 30 GKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccccc1 ZINC000409284981 231188632 /nfs/dbraw/zinc/18/86/32/231188632.db2.gz WBEIIWUSHZUTNO-UHFFFAOYSA-N 0 0 396.494 5.117 40 30 GKEBRN Cc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 ZINC000409357887 231195661 /nfs/dbraw/zinc/19/56/61/231195661.db2.gz KOJFXDNYWUOFPE-STBIYBPSSA-N 0 0 390.486 7.161 40 30 GKEBRN N#Cc1c(/N=C/c2cccc3ccccc23)oc(-c2ccco2)c1-c1ccco1 ZINC000409375352 231196209 /nfs/dbraw/zinc/19/62/09/231196209.db2.gz JKRAYXRBXREABC-CVKSISIWSA-N 0 0 378.387 6.575 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(F)c3)c2)cc1C ZINC000409382684 231198303 /nfs/dbraw/zinc/19/83/03/231198303.db2.gz PEOSHCVDSINKED-AFUMVMLFSA-N 0 0 376.431 5.211 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000409380605 231198802 /nfs/dbraw/zinc/19/88/02/231198802.db2.gz OHXVTJDOKXNNII-YSMPRRRNSA-N 0 0 386.495 5.688 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)cc3)c2)cc1C ZINC000409386943 231199537 /nfs/dbraw/zinc/19/95/37/231199537.db2.gz OVNZSIZCBZKMBJ-AFUMVMLFSA-N 0 0 376.431 5.211 40 30 GKEBRN Cn1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 ZINC000409386575 231199744 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CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1CC ZINC000408916152 529563561 /nfs/dbraw/zinc/56/35/61/529563561.db2.gz VGDKMTHKOPYHNU-QNQNADBQSA-N 0 0 380.513 5.190 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1C ZINC000408909281 529564073 /nfs/dbraw/zinc/56/40/73/529564073.db2.gz GXNZCZYSHBSXJM-NZQUJZJYSA-N 0 0 391.323 5.790 40 30 GKEBRN CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000409214015 529589559 /nfs/dbraw/zinc/58/95/59/529589559.db2.gz WSKVWGLEYZRNEI-HAHDFKILSA-N 0 0 399.899 5.421 40 30 GKEBRN CCc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000409210444 529589879 /nfs/dbraw/zinc/58/98/79/529589879.db2.gz KFHICZXPVVVLIA-KQWNVCNZSA-N 0 0 379.481 5.076 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 ZINC000408766074 529579521 /nfs/dbraw/zinc/57/95/21/529579521.db2.gz OKNKUIONMRXHCV-TURZUDJPSA-N 0 0 393.534 7.151 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408589625 529579894 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6.214 40 30 GKEBRN Cc1c2[nH]c3ccccc3c2c(C)c2c1C=CN(C(=O)c1ccccc1)[C@@H]2C#N ZINC000001572300 209331794 /nfs/dbraw/zinc/33/17/94/209331794.db2.gz JGENIMKZFTZVGX-OAQYLSRUSA-N 0 0 377.447 5.629 40 30 GKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1Cl ZINC000001740155 209336312 /nfs/dbraw/zinc/33/63/12/209336312.db2.gz KJGLJIKARHIRBG-ZMOGYAJESA-N 0 0 394.261 5.253 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2C1 ZINC000001959688 212260657 /nfs/dbraw/zinc/26/06/57/212260657.db2.gz OOZSJLJJJNSWMP-TZOMUSMUSA-N 0 0 391.323 5.703 40 30 GKEBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc(C)c(C)c1C#N ZINC000001262336 212233034 /nfs/dbraw/zinc/23/30/34/212233034.db2.gz CRFGEUSZOYTENB-SNAWJCMRSA-N 0 0 381.284 5.204 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219817970 209188285 /nfs/dbraw/zinc/18/82/85/209188285.db2.gz MWKIVUNVQSKHJJ-GOSISDBHSA-N 0 0 383.513 5.006 40 30 GKEBRN C=CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1OC ZINC000218657799 209184736 /nfs/dbraw/zinc/18/47/36/209184736.db2.gz UEPLVUCKTFHGGD-IBGZPJMESA-N 0 0 392.543 5.151 40 30 GKEBRN C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OCc5ccncc5)c4)OCC[C@]3(C2)[C@H]1C ZINC000257325867 212139949 /nfs/dbraw/zinc/13/99/49/212139949.db2.gz WUTVPTIHDPVXBQ-DUUGZRKFSA-N 0 0 391.511 5.349 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000219766669 212115287 /nfs/dbraw/zinc/11/52/87/212115287.db2.gz NVIJIZKXLDBRHV-UHFFFAOYSA-N 0 0 393.870 5.736 40 30 GKEBRN C=CCOc1cccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c1 ZINC000006568852 212080888 /nfs/dbraw/zinc/08/08/88/212080888.db2.gz MLCNVZWBYKXWRS-AQTBWJFISA-N 0 0 384.888 5.012 40 30 GKEBRN C=CCOc1cc(Br)c(C=NNc2ccc(C)cc2)cc1OCC ZINC000005651952 212069181 /nfs/dbraw/zinc/06/91/81/212069181.db2.gz KWNWXZHPERGWED-FYJGNVAPSA-N 0 0 389.293 5.167 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000000956423 212060412 /nfs/dbraw/zinc/06/04/12/212060412.db2.gz BIEVWKDJSKJEMH-TZOMUSMUSA-N 0 0 391.323 5.703 40 30 GKEBRN C=C(C)COc1cccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219792131 203789201 /nfs/dbraw/zinc/78/92/01/203789201.db2.gz JSUSWCYWJLRVLG-WOJBJXKFSA-N 0 0 392.543 5.369 40 30 GKEBRN N#Cc1c(N)c(C(=O)c2ccccc2)sc1Nc1cccc(C(F)(F)F)c1 ZINC000000658784 203845668 /nfs/dbraw/zinc/84/56/68/203845668.db2.gz WOVLASQJWYDHCK-UHFFFAOYSA-N 0 0 387.386 5.195 40 30 GKEBRN CCCCCCCCCCCc1cc(=O)n(-c2cc(Cl)ccc2Cl)n1C ZINC000001601762 203914618 /nfs/dbraw/zinc/91/46/18/203914618.db2.gz OUQNTWCPIWDDFD-UHFFFAOYSA-N 0 0 397.390 6.556 40 30 GKEBRN N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003253029 203993163 /nfs/dbraw/zinc/99/31/63/203993163.db2.gz RMWGLYFEHPGDNC-YYADALCUSA-N 0 0 386.842 5.211 40 30 GKEBRN COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1cccc(C)c1 ZINC000004858588 204083460 /nfs/dbraw/zinc/08/34/60/204083460.db2.gz GXJGNZBLEWUWPA-FCQUAONHSA-N 0 0 377.513 5.093 40 30 GKEBRN Oc1ccc(Cl)cc1/C=N\c1ccccc1/N=C\c1cc(Cl)ccc1O ZINC000004530076 204051268 /nfs/dbraw/zinc/05/12/68/204051268.db2.gz CSIRXWCKACJTAW-CBSQCECLSA-N 0 0 385.250 5.906 40 30 GKEBRN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccccn4)c3c2C1 ZINC000004953887 204096503 /nfs/dbraw/zinc/09/65/03/204096503.db2.gz GDKLXWFRLSVLEU-NDUKVXLSSA-N 0 0 379.533 5.073 40 30 GKEBRN N#Cc1c2c(sc1NC(=O)c1ccc3noc(-c4ccccc4)c3c1)CCCC2 ZINC000005034784 204106048 /nfs/dbraw/zinc/10/60/48/204106048.db2.gz FCLPFCKTMZWQBQ-UHFFFAOYSA-N 0 0 399.475 5.559 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000005376310 204129630 /nfs/dbraw/zinc/12/96/30/204129630.db2.gz AHYWOPJPPXKPHX-NVNXTCNLSA-N 0 0 396.821 5.559 40 30 GKEBRN COc1ccc(/C=N/c2ccc(Br)cc2[C@@H](O)c2ccccc2)cc1 ZINC000005513491 204137198 /nfs/dbraw/zinc/13/71/98/204137198.db2.gz JNISDSNDNZKDSY-VSIOZEBNSA-N 0 0 396.284 5.290 40 30 GKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1 ZINC000005551038 204138346 /nfs/dbraw/zinc/13/83/46/204138346.db2.gz NKBFVZSMDNZQQC-AUWJEWJLSA-N 0 0 383.687 5.538 40 30 GKEBRN CC(C)[C@H]1CC[C@@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 ZINC000006523091 204182241 /nfs/dbraw/zinc/18/22/41/204182241.db2.gz VFUBCZJYTOOWEB-GDBMZVCRSA-N 0 0 376.529 5.759 40 30 GKEBRN C=CCn1c(SCc2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002380202 209170895 /nfs/dbraw/zinc/17/08/95/209170895.db2.gz OJAYJIGGIAKNKU-UHFFFAOYSA-N 0 0 396.581 5.432 40 30 GKEBRN CC(C)(C#CC(C)(C)OC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 ZINC000001689110 209168399 /nfs/dbraw/zinc/16/83/99/209168399.db2.gz XJZFCYQCNPRSST-UHFFFAOYSA-N 0 0 380.444 5.044 40 30 GKEBRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c(C#N)c1 ZINC000225845027 211931463 /nfs/dbraw/zinc/93/14/63/211931463.db2.gz KGORXPKRQMKAAM-UHFFFAOYSA-N 0 0 388.552 5.543 40 30 GKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O ZINC000006371376 209143641 /nfs/dbraw/zinc/14/36/41/209143641.db2.gz VZVKPLZHBGFUAQ-KGENOOAVSA-N 0 0 388.492 5.470 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C ZINC000004492878 209137538 /nfs/dbraw/zinc/13/75/38/209137538.db2.gz 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/nfs/dbraw/zinc/65/23/63/205652363.db2.gz SAWUGAKYRLBMPF-FTNPDODUSA-N 0 0 399.519 5.561 40 30 GKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc2c1 ZINC000001354370 205709452 /nfs/dbraw/zinc/70/94/52/205709452.db2.gz JITGEKADDTUEDT-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN O=C(/C=C1\Sc2ccccc2N1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000005006103 205758190 /nfs/dbraw/zinc/75/81/90/205758190.db2.gz HMEMPUXLZTWDMN-HMAPJEAMSA-N 0 0 377.896 6.177 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C#N ZINC000225681939 206065381 /nfs/dbraw/zinc/06/53/81/206065381.db2.gz IDSNGXHKYGGSNQ-UHFFFAOYSA-N 0 0 380.463 5.327 40 30 GKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 ZINC000225751386 206073175 /nfs/dbraw/zinc/07/31/75/206073175.db2.gz JBAUWPVIJVYFQN-MRXNPFEDSA-N 0 0 396.918 5.839 40 30 GKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 ZINC000225763060 206073712 /nfs/dbraw/zinc/07/37/12/206073712.db2.gz YSCLKIBWMSWEHP-QGZVFWFLSA-N 0 0 394.490 5.715 40 30 GKEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C#N)c1 ZINC000225761542 206074359 /nfs/dbraw/zinc/07/43/59/206074359.db2.gz BZFGTDGOIZZAQO-UHFFFAOYSA-N 0 0 380.463 5.325 40 30 GKEBRN N#Cc1cc(N)c(Oc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1Cl ZINC000225881916 206083114 /nfs/dbraw/zinc/08/31/14/206083114.db2.gz PATHYEQCNODUQO-UHFFFAOYSA-N 0 0 392.673 5.743 40 30 GKEBRN C=C[C@@](C)(CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C)OC(C)=O ZINC000004104730 206227391 /nfs/dbraw/zinc/22/73/91/206227391.db2.gz CFEOXVWJRPHLSF-KTMUCGRXSA-N 0 0 390.564 5.615 40 30 biogenic,in-vitro GKEBRN CCCCCCCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000100870347 206216748 /nfs/dbraw/zinc/21/67/48/206216748.db2.gz DKKOGAOESDVVDH-OBGWFSINSA-N 0 0 377.575 5.647 40 30 GKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1nc3ccc(Br)cc3s1)C2 ZINC000006239782 206230213 /nfs/dbraw/zinc/23/02/13/206230213.db2.gz KHAPYQRKWJXYCT-VOJFVSQTSA-N 0 0 391.334 5.380 40 30 GKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C/c1ccc(Cl)cc1)C2=O ZINC000004061147 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/nfs/dbraw/zinc/03/70/25/533037025.db2.gz CZBVXEFZQKJSDG-WUKNDPDISA-N 0 0 389.451 5.695 40 30 GKEBRN COc1ccc(Oc2ccc(NC(C)=CC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000409121301 533037040 /nfs/dbraw/zinc/03/70/40/533037040.db2.gz XWQCCZJBSBVFQW-FOCLMDBBSA-N 0 0 393.870 6.340 40 30 GKEBRN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1c(Cl)cccc1Cl ZINC000101007581 208384787 /nfs/dbraw/zinc/38/47/87/208384787.db2.gz SUUPECIWTQHERI-UFFVCSGVSA-N 0 0 376.312 6.235 40 30 GKEBRN CCOc1ccc(/N=C2\S[C@@H](CC)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000101025086 208385039 /nfs/dbraw/zinc/38/50/39/208385039.db2.gz DPBABSUZZDFROO-XQDODVJUSA-N 0 0 384.501 5.030 40 30 GKEBRN Cc1cccc(C)c1NC(=S)N/N=C/c1c2ccccc2cc2ccccc21 ZINC000003262389 208510134 /nfs/dbraw/zinc/51/01/34/208510134.db2.gz SOMFUCMSTJFXGA-MFKUBSTISA-N 0 0 383.520 5.930 40 30 GKEBRN CC(C)(C)C#CSc1nsc(NC(=O)Nc2cccc3ccccc32)n1 ZINC000004984737 208546964 /nfs/dbraw/zinc/54/69/64/208546964.db2.gz XVFUHSSKVSRDOM-UHFFFAOYSA-N 0 0 382.514 5.434 40 30 GKEBRN Cc1cc(C)cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 ZINC000004849084 220776295 /nfs/dbraw/zinc/77/62/95/220776295.db2.gz YUWKBTJSRQBACP-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccccc2)cc1 ZINC000408721901 533189596 /nfs/dbraw/zinc/18/95/96/533189596.db2.gz BFQWCOCQGZYZHT-MFKUBSTISA-N 0 0 388.467 6.375 40 30 GKEBRN N#C[C@H]1S[C@@H](C#N)[C@@H](c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)cc1 ZINC000005495893 220875243 /nfs/dbraw/zinc/87/52/43/220875243.db2.gz IHIYKSDCXKJPOG-FZDBZEDMSA-N 0 0 375.280 5.324 40 30 GKEBRN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(Cl)cc(Cl)c1 ZINC000006160363 220922779 /nfs/dbraw/zinc/92/27/79/220922779.db2.gz KGWIUNZRTIDSBX-UHFFFAOYSA-N 0 0 395.293 6.280 40 30 GKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000408954348 533215381 /nfs/dbraw/zinc/21/53/81/533215381.db2.gz SOJZHJARSYIOQT-CIAFOILYSA-N 0 0 389.680 5.652 40 30 GKEBRN N#Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009233841 221075181 /nfs/dbraw/zinc/07/51/81/221075181.db2.gz FUDAXOLRMKALFF-VIZOYTHASA-N 0 0 391.304 5.271 40 30 GKEBRN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000012032479 221143798 /nfs/dbraw/zinc/14/37/98/221143798.db2.gz TZMNEYHQUPRDSV-SKZWUVKFSA-N 0 0 389.307 5.831 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C ZINC000013298417 221264971 /nfs/dbraw/zinc/26/49/71/221264971.db2.gz QYSXJUFSXHHAJI-GPJHETKASA-N 0 0 384.648 7.619 40 30 GKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc4ccccc4c3)c2c1 ZINC000408785768 533231025 /nfs/dbraw/zinc/23/10/25/533231025.db2.gz ZAJXMMVBTSBLHN-WPWMEQJKSA-N 0 0 376.459 6.747 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c(OC)c1 ZINC000408916629 533240046 /nfs/dbraw/zinc/24/00/46/533240046.db2.gz YPKDJTGSIRVJNA-NNSJDREZSA-N 0 0 396.512 5.025 40 30 GKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409118249 533251240 /nfs/dbraw/zinc/25/12/40/533251240.db2.gz ZIHRYBZETDVXSD-HMAPJEAMSA-N 0 0 378.453 5.814 40 30 GKEBRN COc1ccc(Br)cc1/C=N/c1c(C)nn(-c2ccccc2)c1C ZINC000408978012 533263858 /nfs/dbraw/zinc/26/38/58/533263858.db2.gz XQBUFPVFMPXNBM-CIAFOILYSA-N 0 0 384.277 5.011 40 30 GKEBRN COc1ccc(C(=O)C=CNc2ccc(Oc3cccc(OC)c3)cc2)cc1 ZINC000409105581 533273990 /nfs/dbraw/zinc/27/39/90/533273990.db2.gz NIEALPMJLPQPEC-CCEZHUSRSA-N 0 0 375.424 5.305 40 30 GKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 ZINC000409104123 533274137 /nfs/dbraw/zinc/27/41/37/533274137.db2.gz DVVVHCIMAHMBAG-BMRADRMJSA-N 0 0 389.451 5.695 40 30 GKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Br)cc3)nc1-2 ZINC000409053899 533274399 /nfs/dbraw/zinc/27/43/99/533274399.db2.gz DJECKJVPDKUCOO-JMIUGGIZSA-N 0 0 385.286 5.236 40 30 GKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 ZINC000408870006 533392856 /nfs/dbraw/zinc/39/28/56/533392856.db2.gz UXKHBPIFVFDIKR-DHDCSXOGSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Cl)c2)ccc1O ZINC000408736006 533456524 /nfs/dbraw/zinc/45/65/24/533456524.db2.gz ZPNAOWFULJGNEN-YDZHTSKRSA-N 0 0 377.831 5.120 40 30 GKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(SC)cc2)ccc1O ZINC000408734912 533456928 /nfs/dbraw/zinc/45/69/28/533456928.db2.gz HHNMPGBMWFPWFW-OEAKJJBVSA-N 0 0 389.480 5.188 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000409214162 533482696 /nfs/dbraw/zinc/48/26/96/533482696.db2.gz RLLJFDZADCSAOP-OGLMXYFKSA-N 0 0 395.502 6.795 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1 ZINC000409214589 533482903 /nfs/dbraw/zinc/48/29/03/533482903.db2.gz WGUOOTWMVPOCHV-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN COc1ccc(CN/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC ZINC000020195934 533550944 /nfs/dbraw/zinc/55/09/44/533550944.db2.gz VMXSWRQJSWBOKA-ZMOGYAJESA-N 0 0 384.863 5.049 40 30 GKEBRN COc1cc(C)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC ZINC000408548375 533565738 /nfs/dbraw/zinc/56/57/38/533565738.db2.gz HBGWBLWLQOUNQZ-JVWAILMASA-N 0 0 389.539 6.231 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 ZINC000408868775 533606804 /nfs/dbraw/zinc/60/68/04/533606804.db2.gz BGTDDASQEUGZTG-ZBJKJOAESA-N 0 0 382.554 5.931 40 30 GKEBRN Cc1[nH]c2ccccc2c1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409288125 533628210 /nfs/dbraw/zinc/62/82/10/533628210.db2.gz CZXCNTXNKONUFW-UHFFFAOYSA-N 0 0 384.483 5.116 40 30 GKEBRN O/N=C1/CCCCCCCCCC[C@@H]1N1CCN(c2ccccc2F)CC1 ZINC000100964709 136189373 /nfs/dbraw/zinc/18/93/73/136189373.db2.gz VWJRSVMGHLTASD-ATHPHSJWSA-N 0 0 375.532 5.061 40 30 GKEBRN COc1cc2c(cc1F)ncc(C#N)c2Nc1cc(OC)c(Cl)cc1Cl ZINC000064034408 222068553 /nfs/dbraw/zinc/06/85/53/222068553.db2.gz AXSYHFQBQMKSGH-UHFFFAOYSA-N 0 0 392.217 5.313 40 30 GKEBRN Cc1c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c2ccccc2n1C ZINC000408811367 533700530 /nfs/dbraw/zinc/70/05/30/533700530.db2.gz LGXWYPAFLZGJFZ-ODLFYWEKSA-N 0 0 395.915 5.340 40 30 GKEBRN Cc1c(/C=C2\Cc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000409370700 533701083 /nfs/dbraw/zinc/70/10/83/533701083.db2.gz DIUDNRVAUSQGRL-HMMYKYKNSA-N 0 0 397.905 6.474 40 30 GKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)ccc1Cl ZINC000408738002 533716486 /nfs/dbraw/zinc/71/64/86/533716486.db2.gz HQIFZZRMNWOIDD-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C)c1 ZINC000408915545 533717289 /nfs/dbraw/zinc/71/72/89/533717289.db2.gz XOHDMMQARMFYJN-UHFFFAOYSA-N 0 0 384.431 5.045 40 30 GKEBRN COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408857503 533833828 /nfs/dbraw/zinc/83/38/28/533833828.db2.gz HJQUZFBQXIDJHO-SXGWCWSVSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1ccc(Cl)cc1-n1c(C)cc(C=NNc2nc3ccccc3[nH]2)c1C ZINC000408588783 533830229 /nfs/dbraw/zinc/83/02/29/533830229.db2.gz JRCXSXMMDSCVTD-FSJBWODESA-N 0 0 393.878 5.078 40 30 GKEBRN COc1ccc(Cl)cc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000409034285 533831722 /nfs/dbraw/zinc/83/17/22/533831722.db2.gz NLTDIOMRZKEQHO-SRZZPIQSSA-N 0 0 383.860 5.664 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409084018 533834773 /nfs/dbraw/zinc/83/47/73/533834773.db2.gz MANBRGYQDVVVMB-VULFUBBASA-N 0 0 395.930 6.273 40 30 GKEBRN COc1ccc(Cl)cc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409235259 533835434 /nfs/dbraw/zinc/83/54/34/533835434.db2.gz AWGMTPVGUIECDV-WGARJPEWSA-N 0 0 392.861 6.241 40 30 GKEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 ZINC000059302914 533875728 /nfs/dbraw/zinc/87/57/28/533875728.db2.gz LHGAYAZWXJQBFS-UYRXBGFRSA-N 0 0 393.899 5.331 40 30 GKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)c(Br)o1 ZINC000408955646 533876623 /nfs/dbraw/zinc/87/66/23/533876623.db2.gz XZWGKWPVGKPZNR-OMCISZLKSA-N 0 0 377.463 5.517 40 30 GKEBRN COc1ccccc1C(C)N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000408923753 533940130 /nfs/dbraw/zinc/94/01/30/533940130.db2.gz LPOYMGYJLGDUBW-SSDVNMTOSA-N 0 0 392.311 5.962 40 30 GKEBRN Cc1c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc2n1C ZINC000408806584 533952072 /nfs/dbraw/zinc/95/20/72/533952072.db2.gz AGDWBGRHRDUPBU-MHZLTWQESA-N 0 0 392.502 6.313 40 30 GKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000100328114 533953039 /nfs/dbraw/zinc/95/30/39/533953039.db2.gz GEFSVXPHXKDDHC-QNQNADBQSA-N 0 0 390.464 5.092 40 30 GKEBRN COC(=O)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409091619 533962976 /nfs/dbraw/zinc/96/29/76/533962976.db2.gz QOHYZDWHTVNBMX-CBFMJHRQSA-N 0 0 380.513 5.308 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c(C)c1 ZINC000409248645 533965386 /nfs/dbraw/zinc/96/53/86/533965386.db2.gz HPHFHUCIONJHKE-BUVRLJJBSA-N 0 0 375.493 5.992 40 30 GKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)cc(C)c1OCc1ccc(F)cc1 ZINC000408856974 534014083 /nfs/dbraw/zinc/01/40/83/534014083.db2.gz MEXBETZRJFYCSU-JFLMPSFJSA-N 0 0 399.469 6.016 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Cl ZINC000408592663 534016354 /nfs/dbraw/zinc/01/63/54/534016354.db2.gz NHGDPFQJJWWKEJ-WSDLNYQXSA-N 0 0 383.835 5.206 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(Cl)c1C ZINC000408592257 534016491 /nfs/dbraw/zinc/01/64/91/534016491.db2.gz MAGLCDOTFRCRNI-DHRITJCHSA-N 0 0 377.875 5.478 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(Cl)c1Cl ZINC000408589300 534016559 /nfs/dbraw/zinc/01/65/59/534016559.db2.gz DQBYFOJZPXOWGT-BRJLIKDPSA-N 0 0 398.293 5.823 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408783605 534017193 /nfs/dbraw/zinc/01/71/93/534017193.db2.gz NOAVAPOIFFFGLD-FSJBWODESA-N 0 0 385.280 6.055 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408752367 534051488 /nfs/dbraw/zinc/05/14/88/534051488.db2.gz AEJHXVCRLHUEBN-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408931616 534052201 /nfs/dbraw/zinc/05/22/01/534052201.db2.gz NYJSAPLQEFDRGC-DHRITJCHSA-N 0 0 386.373 5.342 40 30 GKEBRN Cc1cc(C=N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(C)n1-c1ccccc1 ZINC000408738881 534146310 /nfs/dbraw/zinc/14/63/10/534146310.db2.gz PPWWEDYEESHUEN-WCLXIJTESA-N 0 0 394.522 5.955 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)c(C)c3)c3ccccc32)o1 ZINC000409394100 534164967 /nfs/dbraw/zinc/16/49/67/534164967.db2.gz VQASAXLZMOSPLT-BRJLIKDPSA-N 0 0 390.414 5.267 40 30 GKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1 ZINC000408812641 534173722 /nfs/dbraw/zinc/17/37/22/534173722.db2.gz MEZBEZSFYHONLF-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(Br)c(C)c2)cc1Cl ZINC000409019402 534240031 /nfs/dbraw/zinc/24/00/31/534240031.db2.gz YZCWGRYJTBFPES-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409107134 534240134 /nfs/dbraw/zinc/24/01/34/534240134.db2.gz VFRHKEHOVQFENF-FSJBWODESA-N 0 0 388.349 5.159 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)o1 ZINC000408735328 534247875 /nfs/dbraw/zinc/24/78/75/534247875.db2.gz MZNGKISPYZEDDL-YKQZMZHDSA-N 0 0 388.492 6.013 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2CC(C)C)cc1 ZINC000408916833 534251900 /nfs/dbraw/zinc/25/19/00/534251900.db2.gz ZOMSFHAZRPDXJY-CRUFNBOHSA-N 0 0 384.932 5.908 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409215580 534251907 /nfs/dbraw/zinc/25/19/07/534251907.db2.gz BPUZJGPYKCEONX-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)cc1Cl ZINC000409213521 534251916 /nfs/dbraw/zinc/25/19/16/534251916.db2.gz UFHKITFSBYAYOT-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409370095 534251983 /nfs/dbraw/zinc/25/19/83/534251983.db2.gz KXZBRALPWQATLH-DHRITJCHSA-N 0 0 396.849 5.556 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C ZINC000409199900 534252007 /nfs/dbraw/zinc/25/20/07/534252007.db2.gz FGIDBCWFTFHPTR-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C ZINC000409218649 534252021 /nfs/dbraw/zinc/25/20/21/534252021.db2.gz WZAMYFIEEITIOI-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000409203768 534252062 /nfs/dbraw/zinc/25/20/62/534252062.db2.gz XWDHNSFZQOZGDV-LPYMAVHISA-N 0 0 391.383 5.663 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000409199459 534252131 /nfs/dbraw/zinc/25/21/31/534252131.db2.gz CWJFFBOMVPKWIF-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C(C)C)cc1 ZINC000408912160 534252154 /nfs/dbraw/zinc/25/21/54/534252154.db2.gz LIMJSQNVYGKIHQ-NFEGURHZSA-N 0 0 394.540 5.795 40 30 GKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000408850552 534252165 /nfs/dbraw/zinc/25/21/65/534252165.db2.gz BVBNQLTYPFGBBK-UDWIEESQSA-N 0 0 384.233 5.207 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1C ZINC000409210999 534252176 /nfs/dbraw/zinc/25/21/76/534252176.db2.gz LMDAMLQVVLQVPD-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C ZINC000408767381 534253113 /nfs/dbraw/zinc/25/31/13/534253113.db2.gz WJGQQQMOHBYWTL-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1C ZINC000408856510 534253180 /nfs/dbraw/zinc/25/31/80/534253180.db2.gz IZEFDDBDGWDIPL-LPYMAVHISA-N 0 0 397.272 5.085 40 30 GKEBRN COC(=O)c1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409080455 534286713 /nfs/dbraw/zinc/28/67/13/534286713.db2.gz IADLTLDVLNPZNM-YSMPRRRNSA-N 0 0 389.495 5.397 40 30 GKEBRN COC(=O)c1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409018860 534286944 /nfs/dbraw/zinc/28/69/44/534286944.db2.gz VZCAECUCTMRENE-MTJSOVHGSA-N 0 0 387.913 6.090 40 30 GKEBRN Cc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccco2)c1C#N ZINC000408977151 534330956 /nfs/dbraw/zinc/33/09/56/534330956.db2.gz UPGBFRBQYSXQST-AFUMVMLFSA-N 0 0 397.390 6.046 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#Cc1ccccc1 ZINC000118915134 518185610 /nfs/dbraw/zinc/18/56/10/518185610.db2.gz LZYLYVQWNIUJNH-KAGRPROJSA-N 0 0 392.583 5.173 40 30 GKEBRN Brc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000100384129 518209234 /nfs/dbraw/zinc/20/92/34/518209234.db2.gz RWNLBXWGFUKDJB-LPYMAVHISA-N 0 0 377.241 6.008 40 30 GKEBRN C(#Cc1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1)c1ccccc1 ZINC000059159508 518368216 /nfs/dbraw/zinc/36/82/16/518368216.db2.gz YUOGUVUAZGQYFR-UHFFFAOYSA-N 0 0 378.474 5.886 40 30 GKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl ZINC000032100511 518431509 /nfs/dbraw/zinc/43/15/09/518431509.db2.gz MCQDJGOCBHGUFI-CSKARUKUSA-N 0 0 385.088 5.955 40 30 GKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000032100455 518431599 /nfs/dbraw/zinc/43/15/99/518431599.db2.gz DXTWMIBYCKJWBT-PKNBQFBNSA-N 0 0 395.094 5.410 40 30 GKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Br)c1 ZINC000032100581 518432113 /nfs/dbraw/zinc/43/21/13/518432113.db2.gz VHGCKKHGRQVFDK-CSKARUKUSA-N 0 0 385.088 5.955 40 30 GKEBRN C/C(=N\N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 ZINC000016978705 518458776 /nfs/dbraw/zinc/45/87/76/518458776.db2.gz VRWSAXLOCVJMGX-UHWBUFEVSA-N 0 0 394.110 5.445 40 30 GKEBRN C/C(=N\N=C(\C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000017377385 518459985 /nfs/dbraw/zinc/45/99/85/518459985.db2.gz LCLPMJFCNUVGJT-DWVPNOFWSA-N 0 0 388.514 7.254 40 30 GKEBRN CC(=[NH+][N-]c1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(N)cc1 ZINC000004595647 518463895 /nfs/dbraw/zinc/46/38/95/518463895.db2.gz MTHLDRAOIYXJGW-OGLMXYFKSA-N 0 0 379.467 5.229 40 30 GKEBRN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000007026630 518465689 /nfs/dbraw/zinc/46/56/89/518465689.db2.gz IDDOMKWPPWDHTL-FSJBWODESA-N 0 0 379.382 5.747 40 30 GKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 ZINC000013303293 518467267 /nfs/dbraw/zinc/46/72/67/518467267.db2.gz NPQUCFHFRGLVNT-LQKURTRISA-N 0 0 398.441 5.491 40 30 GKEBRN C/C=C(C)/C=N/NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376665 518479660 /nfs/dbraw/zinc/47/96/60/518479660.db2.gz ZVKYLBOYIWAGJU-JYDIRTDESA-N 0 0 381.674 6.884 40 30 GKEBRN C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC ZINC000086052005 518586330 /nfs/dbraw/zinc/58/63/30/518586330.db2.gz OCDWICPYKQMQSQ-UHFFFAOYSA-N 0 0 394.684 8.928 40 30 GKEBRN C=C(C)C(=O)Oc1ccc(/N=N/c2ccc(Br)cc2)c2ccccc12 ZINC000102947194 518586540 /nfs/dbraw/zinc/58/65/40/518586540.db2.gz NEVNKKFKCOYJNN-GHVJWSGMSA-N 0 0 395.256 6.499 40 30 GKEBRN C=C(C)[C@H](O)c1ccc2ccccc2c1-c1c2ccccc2ccc1[C@@H](O)C(=C)C ZINC000095611705 518645563 /nfs/dbraw/zinc/64/55/63/518645563.db2.gz QGBNOLZBSXSVGL-NSOVKSMOSA-N 0 0 394.514 6.879 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C ZINC000100618083 518664109 /nfs/dbraw/zinc/66/41/09/518664109.db2.gz MECHNRXZTMCUDQ-GKMILSFDSA-N 0 0 396.659 7.641 40 30 GKEBRN C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000224689030 518810625 /nfs/dbraw/zinc/81/06/25/518810625.db2.gz BLFCUVINKIUFLK-UHFFFAOYSA-N 0 0 389.826 5.049 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S ZINC000013547586 518823869 /nfs/dbraw/zinc/82/38/69/518823869.db2.gz GDMOSXVBDZZZSJ-VBKFSLOCSA-N 0 0 389.586 5.374 40 30 GKEBRN CC(C)(C)c1cc(C2CCCCC2)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O ZINC000005481498 518996497 /nfs/dbraw/zinc/99/64/97/518996497.db2.gz VINIYDHKZRKNGL-BUVRLJJBSA-N 0 0 395.503 6.092 40 30 GKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F ZINC000225956632 519038135 /nfs/dbraw/zinc/03/81/35/519038135.db2.gz NQASASDCABCXHT-UHFFFAOYSA-N 0 0 395.808 5.594 40 30 GKEBRN Cc1ccc2c(c1)C(=Nc1sc3c(c1C#N)CC[C@@H](C(C)(C)C)C3)C(=O)N2 ZINC000409113625 534399675 /nfs/dbraw/zinc/39/96/75/534399675.db2.gz IAVHLPUVCJNYDC-CYBMUJFWSA-N 0 0 377.513 5.152 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccc(Cl)cc1 ZINC000102962650 519148755 /nfs/dbraw/zinc/14/87/55/519148755.db2.gz NLADNSXHNMYUPY-RELWKKBWSA-N 0 0 395.742 6.595 40 30 GKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020797254 519368169 /nfs/dbraw/zinc/36/81/69/519368169.db2.gz JGTCWGFIHAVQGK-HSZRJFAPSA-N 0 0 389.499 5.339 40 30 GKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000020672547 519368603 /nfs/dbraw/zinc/36/86/03/519368603.db2.gz LGOSHUSDKBNNBA-QHCPKHFHSA-N 0 0 389.499 5.339 40 30 GKEBRN CC(C)CC(=O)C[C@H](c1ccccc1)[C@H](C(=O)/C=C\c1ccccc1)C(C)C ZINC000017128643 519573761 /nfs/dbraw/zinc/57/37/61/519573761.db2.gz GXELYPUYAMBBKI-KCCXJPKJSA-N 0 0 376.540 6.330 40 30 GKEBRN CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000100384256 519708907 /nfs/dbraw/zinc/70/89/07/519708907.db2.gz ZXEOPVPTDKDXPJ-ZVHZXABRSA-N 0 0 378.859 5.628 40 30 GKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196120 519782147 /nfs/dbraw/zinc/78/21/47/519782147.db2.gz KODCXXQGKGMNBP-WYMPLXKRSA-N 0 0 387.310 6.058 40 30 GKEBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 ZINC000036056603 519825757 /nfs/dbraw/zinc/82/57/57/519825757.db2.gz LHTRLJFFJJYZCU-LMHRODSMSA-N 0 0 390.523 5.957 40 30 GKEBRN Fc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 ZINC000408915815 534451894 /nfs/dbraw/zinc/45/18/94/534451894.db2.gz ZJEGUWJQEIMGAX-STBIYBPSSA-N 0 0 399.509 7.304 40 30 GKEBRN CCCC/N=C(\N=C(\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017123603 519887040 /nfs/dbraw/zinc/88/70/40/519887040.db2.gz XFNYUOLKNLNYGG-UHFFFAOYSA-N 0 0 383.495 5.110 40 30 GKEBRN Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408996451 534455657 /nfs/dbraw/zinc/45/56/57/534455657.db2.gz PCEJXFYCPWFVSK-IECUCWQJSA-N 0 0 382.554 5.993 40 30 GKEBRN Cc1ccsc1/C=C1\SC(=Nc2ccc(Br)cc2C)NC1=O ZINC000408988183 534455813 /nfs/dbraw/zinc/45/58/13/534455813.db2.gz DAEIUFVNBNESCZ-ZSOIEALJSA-N 0 0 393.331 5.019 40 30 GKEBRN CCCCCC/C=C/CCCCCCCCCc1cc(O)cc(OC)c1O ZINC000104272336 519943788 /nfs/dbraw/zinc/94/37/88/519943788.db2.gz BDWQNYPENCTULP-CMDGGOBGSA-N 0 0 376.581 7.296 40 30 GKEBRN CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N/NC(N)=S ZINC000017141702 519945239 /nfs/dbraw/zinc/94/52/39/519945239.db2.gz AJBTYTVSUDZURP-RHTHQAGFSA-N 0 0 386.030 5.684 40 30 GKEBRN CCCCCC/C=C\CCCCCCCCC(=O)c1cccc(OC)c1OC ZINC000073280916 519947404 /nfs/dbraw/zinc/94/74/04/519947404.db2.gz WKMIZTKNDGODPV-KTKRTIGZSA-N 0 0 388.592 7.534 40 30 GKEBRN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OCC)cc1 ZINC000100025459 519965231 /nfs/dbraw/zinc/96/52/31/519965231.db2.gz AQSKXVHNJLXRSO-UHFFFAOYSA-N 0 0 382.504 5.637 40 30 GKEBRN CCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCC ZINC000104053504 519965529 /nfs/dbraw/zinc/96/55/29/519965529.db2.gz CPLXAFDSIDPNEC-UHFFFAOYSA-N 0 0 384.601 6.744 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](CO)OC(C)=O ZINC000014953248 519968004 /nfs/dbraw/zinc/96/80/04/519968004.db2.gz PWTCCMJTPHCGMS-NELJVSICSA-N 0 0 398.584 5.491 40 30 in-vitro GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)c1nc2ncccc2o1 ZINC000038140931 519968117 /nfs/dbraw/zinc/96/81/17/519968117.db2.gz YMLAXVVBJJHSKD-MDZDMXLPSA-N 0 0 384.564 7.443 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCCC ZINC000100040870 519969394 /nfs/dbraw/zinc/96/93/94/519969394.db2.gz LBUOSVPOVIEPLJ-SEYXRHQNSA-N 0 0 382.629 7.384 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)c1nc2ncccc2o1 ZINC000034803408 519971765 /nfs/dbraw/zinc/97/17/65/519971765.db2.gz YMLAXVVBJJHSKD-KTKRTIGZSA-N 0 0 384.564 7.443 40 30 in-vitro GKEBRN CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000100302525 519984459 /nfs/dbraw/zinc/98/44/59/519984459.db2.gz NEDCSNDIXOFJGV-IBGZPJMESA-N 0 0 383.617 6.170 40 30 GKEBRN CCCCCCCCCCCC(CCCCCCCC)CCCCCCCC ZINC000077943464 519986802 /nfs/dbraw/zinc/98/68/02/519986802.db2.gz JNRMADFNKDCLKT-UHFFFAOYSA-N 0 0 394.772 11.025 40 30 GKEBRN CCCCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000100303676 520014243 /nfs/dbraw/zinc/01/42/43/520014243.db2.gz SWOHHTMHABHFNE-IBGZPJMESA-N 0 0 392.517 6.495 40 30 GKEBRN CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3ccc(C)cc3[nH]c1-2 ZINC000085340936 520017629 /nfs/dbraw/zinc/01/76/29/520017629.db2.gz IGZNNPFMSFXGKU-UHFFFAOYSA-N 0 0 380.532 6.576 40 30 biogenic,in-vitro GKEBRN CCCCCCCCCCNC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000059662569 520020388 /nfs/dbraw/zinc/02/03/88/520020388.db2.gz KDJMVAROCPIRLJ-UHFFFAOYSA-N 0 0 394.934 6.786 40 30 GKEBRN CCCCCCCCCCc1c(C)nc(N2CCc3ccccc3C2)[nH]c1=O ZINC000102241511 520026002 /nfs/dbraw/zinc/02/60/02/520026002.db2.gz RCHMPJDDWSQOMT-UHFFFAOYSA-N 0 0 381.564 5.324 40 30 GKEBRN CCCCCCCCCCc1nc2c(o1)C[C@@H](C[C@@H](C)SCC)CC2=O ZINC000103007853 520027696 /nfs/dbraw/zinc/02/76/96/520027696.db2.gz XPMUBDVPBVNGDZ-MSOLQXFVSA-N 0 0 379.610 6.635 40 30 GKEBRN CCCCCCCCCc1ccc(/C=N/c2ccc(OC(=O)CC)cc2)cc1 ZINC000068569010 520032065 /nfs/dbraw/zinc/03/20/65/520032065.db2.gz IGPYRWMTNKRZKG-LHLOQNFPSA-N 0 0 379.544 7.046 40 30 GKEBRN CCCCCCCCNC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000100025447 520036080 /nfs/dbraw/zinc/03/60/80/520036080.db2.gz WPUSVEHJHPNJRN-UHFFFAOYSA-N 0 0 380.532 5.348 40 30 GKEBRN CCCCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 ZINC000068564939 520038970 /nfs/dbraw/zinc/03/89/70/520038970.db2.gz KMDMRNAKIUGONG-UHFFFAOYSA-N 0 0 394.562 5.251 40 30 GKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OC ZINC000101012938 520042969 /nfs/dbraw/zinc/04/29/69/520042969.db2.gz FHCGPFWSJLZXPS-CYVLTUHYSA-N 0 0 391.533 5.491 40 30 GKEBRN CCCCCCCC[C@@H]1S[C@H]1CCCCCCCC(=O)N1CCOCC1 ZINC000100300032 520047540 /nfs/dbraw/zinc/04/75/40/520047540.db2.gz DPYGHXSTRIZSJD-SFTDATJTSA-N 0 0 383.642 5.811 40 30 GKEBRN CCCCCCC[C@H](CC)OC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098001394 520068142 /nfs/dbraw/zinc/06/81/42/520068142.db2.gz UJIYTUFHEQNFHL-QHCPKHFHSA-N 0 0 395.543 6.543 40 30 GKEBRN Fc1ccc(COc2cccc(C=NNc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000408940664 534472404 /nfs/dbraw/zinc/47/24/04/534472404.db2.gz VFIFNTFCQJAEBM-ZMFRSBBQSA-N 0 0 388.364 5.870 40 30 GKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC000072229778 520184761 /nfs/dbraw/zinc/18/47/61/520184761.db2.gz SBMQKBZTVKBVOI-QFEZKATASA-N 0 0 394.544 6.044 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2CCc1ccccc1 ZINC000019418928 520258803 /nfs/dbraw/zinc/25/88/03/520258803.db2.gz PQJWLDIGLKVQEN-UHFFFAOYSA-N 0 0 377.528 5.125 40 30 GKEBRN CCCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009197300 520321787 /nfs/dbraw/zinc/32/17/87/520321787.db2.gz FIKRLQBNIWQNON-WSDLNYQXSA-N 0 0 381.303 5.305 40 30 GKEBRN CCOc1cc(Br)cc(/C=N/c2cc([C@H](C)CC)ccc2O)c1O ZINC000003043434 520650684 /nfs/dbraw/zinc/65/06/84/520650684.db2.gz IPFQSIDEBRAFEA-KIHMUJGBSA-N 0 0 392.293 5.523 40 30 GKEBRN CC1(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)C(F)(F)C(F)(F)C1(F)F ZINC000100044459 520751043 /nfs/dbraw/zinc/75/10/43/520751043.db2.gz ABYARYWWHVMEOC-UHFFFAOYSA-N 0 0 392.130 5.268 40 30 GKEBRN Fc1cccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000409203528 534520009 /nfs/dbraw/zinc/52/00/09/534520009.db2.gz YPAGKSQUZYFGLL-VEILYXNESA-N 0 0 397.449 6.948 40 30 GKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409216258 534520477 /nfs/dbraw/zinc/52/04/77/534520477.db2.gz JHERZPMEYJOKCB-MTDXEUNCSA-N 0 0 397.449 6.948 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(/C=C(\C)C(=O)OCCC(C)C)cc2)cc1 ZINC000018212095 520855326 /nfs/dbraw/zinc/85/53/26/520855326.db2.gz XUALOKRPDKNKGC-ZNRHCXQYSA-N 0 0 379.500 5.829 40 30 GKEBRN CCCCOc1ccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000032653946 520855818 /nfs/dbraw/zinc/85/58/18/520855818.db2.gz BYBTVKJTRBCIPF-BKUYFWCQSA-N 0 0 396.472 5.343 40 30 GKEBRN CCOc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101763493 520859469 /nfs/dbraw/zinc/85/94/69/520859469.db2.gz GYRUULCYBXKZOR-DAFNUICNSA-N 0 0 390.483 5.147 40 30 GKEBRN CCCCOc1ccc(Cl)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000005792925 520883682 /nfs/dbraw/zinc/88/36/82/520883682.db2.gz VYKHJAJQVWKIMM-BUVRLJJBSA-N 0 0 397.906 5.067 40 30 GKEBRN CCCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000020672555 520895137 /nfs/dbraw/zinc/89/51/37/520895137.db2.gz CXVWXNWICBVCRH-JOCHJYFZSA-N 0 0 375.472 5.093 40 30 GKEBRN CCCCOc1cccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020797250 520908804 /nfs/dbraw/zinc/90/88/04/520908804.db2.gz AXJFJLTXSCASKF-QFIPXVFZSA-N 0 0 375.472 5.093 40 30 GKEBRN CCCCOc1cccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)c1 ZINC000020797246 520909026 /nfs/dbraw/zinc/90/90/26/520909026.db2.gz AXJFJLTXSCASKF-JOCHJYFZSA-N 0 0 375.472 5.093 40 30 GKEBRN Cc1oc(/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C ZINC000408586413 534536048 /nfs/dbraw/zinc/53/60/48/534536048.db2.gz BTPGJPFIHRXZTI-UVHMKAGCSA-N 0 0 385.442 5.969 40 30 GKEBRN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2F)sc2c1CCC2 ZINC000001436711 521375806 /nfs/dbraw/zinc/37/58/06/521375806.db2.gz RVNQGRMUVUDYEM-AWQFTUOYSA-N 0 0 396.281 5.066 40 30 GKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C)ccc1C ZINC000013306288 521512465 /nfs/dbraw/zinc/51/24/65/521512465.db2.gz NEILYGQQDINRIR-QHQVFXOCSA-N 0 0 395.553 5.297 40 30 GKEBRN O=C(Oc1cccc(C=NNc2nc3ccccc3s2)c1)c1ccccc1F ZINC000408947529 534568940 /nfs/dbraw/zinc/56/89/40/534568940.db2.gz AYYNKIJYVSOLIH-YDZHTSKRSA-N 0 0 391.427 5.101 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C ZINC000409203025 534579064 /nfs/dbraw/zinc/57/90/64/534579064.db2.gz UTDHBWPBUFHXLK-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000409207844 534579904 /nfs/dbraw/zinc/57/99/04/534579904.db2.gz BEAORQTWBOTOPM-LPYMAVHISA-N 0 0 391.383 5.663 40 30 GKEBRN CCS/C(=N\c1cn(C)nc1C)N(Cc1ccccc1)Cc1ccccc1 ZINC000017077481 521695115 /nfs/dbraw/zinc/69/51/15/521695115.db2.gz BLCYUFRLERAVGW-FCQUAONHSA-N 0 0 378.545 5.172 40 30 GKEBRN Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(Cl)c1 ZINC000408853902 534636394 /nfs/dbraw/zinc/63/63/94/534636394.db2.gz ZKEDNPPETCQRDL-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN Clc1ccc(/N=C\c2ccccc2I)c(Cl)c1 ZINC000408552667 534636744 /nfs/dbraw/zinc/63/67/44/534636744.db2.gz UMPLDDFGCBWMOS-IUXPMGMMSA-N 0 0 376.024 5.349 40 30 GKEBRN Clc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1Cl ZINC000408954163 534637327 /nfs/dbraw/zinc/63/73/27/534637327.db2.gz ROJRLKGCWAFNAW-BNCCVWRVSA-N 0 0 397.881 5.862 40 30 GKEBRN Clc1cccc(COc2ccccc2C=NNc2nc3ccccc3[nH]2)c1 ZINC000409032493 534643928 /nfs/dbraw/zinc/64/39/28/534643928.db2.gz CFSPTQMJAWFVNZ-YDZHTSKRSA-N 0 0 376.847 5.241 40 30 GKEBRN Clc1cccc(/N=C\c2cc(Br)c(Br)o2)c1Cl ZINC000408955070 534641704 /nfs/dbraw/zinc/64/17/04/534641704.db2.gz VVPSKHKAZMRLEV-BNCCVWRVSA-N 0 0 397.881 5.862 40 30 GKEBRN Clc1cccc(/N=C\c2ccccc2I)c1Cl ZINC000408550844 534641981 /nfs/dbraw/zinc/64/19/81/534641981.db2.gz KFZQAOSWIFPYKJ-IUXPMGMMSA-N 0 0 376.024 5.349 40 30 GKEBRN CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000013362219 522737511 /nfs/dbraw/zinc/73/75/11/522737511.db2.gz CTVOPPAULYUILQ-BUKPCBQISA-N 0 0 397.603 6.327 40 30 GKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 ZINC000100952581 534678258 /nfs/dbraw/zinc/67/82/58/534678258.db2.gz VOKMILHCLAZPNO-MYYYXRDXSA-N 0 0 390.508 5.013 40 30 GKEBRN N#CCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736100 534698358 /nfs/dbraw/zinc/69/83/58/534698358.db2.gz FHHBBHZHWIOMHO-UWVAXJGDSA-N 0 0 381.273 5.178 40 30 GKEBRN COc1ccc(C(C)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000005002601 523364313 /nfs/dbraw/zinc/36/43/13/523364313.db2.gz XQBGZEDWJNRYNQ-MTDXEUNCSA-N 0 0 394.478 5.655 40 30 GKEBRN COc1ccc(/C=N/c2ccc(/N=C\c3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000096593001 523451730 /nfs/dbraw/zinc/45/17/30/523451730.db2.gz KWCWSEUAQYYHCC-LUWDBDBNSA-N 0 0 378.859 5.858 40 30 GKEBRN COc1ccc(/C=N/c2ccc(/N=C\c3ccc(OC)cc3)cc2Cl)cc1 ZINC000096593002 523453287 /nfs/dbraw/zinc/45/32/87/523453287.db2.gz KWCWSEUAQYYHCC-WJVNUPORSA-N 0 0 378.859 5.858 40 30 GKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000101890741 523462075 /nfs/dbraw/zinc/46/20/75/523462075.db2.gz NZPUGXLISXPURB-IWIPYMOSSA-N 0 0 390.508 5.638 40 30 GKEBRN COc1ccc(N=CC=C(Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000006713288 523464289 /nfs/dbraw/zinc/46/42/89/523464289.db2.gz TWARHCROYGEYOZ-VZCAVXRFSA-N 0 0 392.886 6.213 40 30 GKEBRN COc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1Cl ZINC000223551536 523465745 /nfs/dbraw/zinc/46/57/45/523465745.db2.gz JCZRNGYMQAEWRZ-MMDHUZEPSA-N 0 0 384.951 6.600 40 30 GKEBRN COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000100366143 523466746 /nfs/dbraw/zinc/46/67/46/523466746.db2.gz 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COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100502440 524321687 /nfs/dbraw/zinc/32/16/87/524321687.db2.gz FDRCOMCBXNHQEH-RERTVAKNSA-N 0 0 386.476 5.504 40 30 GKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000059105823 534781581 /nfs/dbraw/zinc/78/15/81/534781581.db2.gz PMTPCOQGTWJNFZ-WOJGMQOQSA-N 0 0 382.391 5.116 40 30 GKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 ZINC000408605237 534782561 /nfs/dbraw/zinc/78/25/61/534782561.db2.gz XSTCCMIUOGDOKY-WQRHYEAKSA-N 0 0 382.391 5.116 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000408959650 534782612 /nfs/dbraw/zinc/78/26/12/534782612.db2.gz COAURSDOESEQOZ-RGEXLXHISA-N 0 0 397.931 5.222 40 30 GKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408852663 534782965 /nfs/dbraw/zinc/78/29/65/534782965.db2.gz MMGHXAPSVYDFFF-PDGQHHTCSA-N 0 0 397.862 5.161 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)s1 ZINC000408966394 534783030 /nfs/dbraw/zinc/78/30/30/534783030.db2.gz 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O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000100661956 527652761 /nfs/dbraw/zinc/65/27/61/527652761.db2.gz LHTFXOBLFBUHPY-WAYWQWQTSA-N 0 0 393.714 6.186 40 30 GKEBRN O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000102944814 527660765 /nfs/dbraw/zinc/66/07/65/527660765.db2.gz BOXKJHDSGJCEAP-AZPGRJICSA-N 0 0 389.458 5.238 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1 ZINC000103532276 527662101 /nfs/dbraw/zinc/66/21/01/527662101.db2.gz CDMCLELUDINUDU-UHFFFAOYSA-N 0 0 396.146 5.882 40 30 GKEBRN FC(F)Oc1ccc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000102940114 527695900 /nfs/dbraw/zinc/69/59/00/527695900.db2.gz DYBRBIIKPDIIJF-SSDVNMTOSA-N 0 0 376.200 5.954 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@]12C ZINC000118939876 527706389 /nfs/dbraw/zinc/70/63/89/527706389.db2.gz OJFSRAVBTAGBIM-DZYTUMHFSA-N 0 0 386.664 7.629 40 30 GKEBRN CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408938448 528057607 /nfs/dbraw/zinc/05/76/07/528057607.db2.gz QSXUORRBUWYXHW-NNRDHZLQSA-N 0 0 392.546 7.387 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000408671272 528124032 /nfs/dbraw/zinc/12/40/32/528124032.db2.gz KGYGTHHFQCSPAR-UHFFFAOYSA-N 0 0 394.559 6.798 40 30 GKEBRN CCCCCCCCS(=O)(=O)N/N=C(\CCCCC)c1ccc(C)cc1O ZINC000100955157 528132901 /nfs/dbraw/zinc/13/29/01/528132901.db2.gz SJOBTFUSAPSWMA-LSDHQDQOSA-N 0 0 396.597 5.265 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000408586566 528133095 /nfs/dbraw/zinc/13/30/95/528133095.db2.gz NXDJLCOKNLNATK-UHFFFAOYSA-N 0 0 375.512 6.831 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)ccc1Cl ZINC000409090411 528134847 /nfs/dbraw/zinc/13/48/47/528134847.db2.gz PJBAJCSXNRJBAC-BHGWPJFGSA-N 0 0 396.830 5.609 40 30 GKEBRN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000105450181 528134826 /nfs/dbraw/zinc/13/48/26/528134826.db2.gz UGWLDPWRJJUPEA-JJIBRWJFSA-N 0 0 393.556 6.605 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1CC ZINC000408560099 528138480 /nfs/dbraw/zinc/13/84/80/528138480.db2.gz BYEVHTZWNULUCS-UHFFFAOYSA-N 0 0 394.972 5.195 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C ZINC000408560648 528138685 /nfs/dbraw/zinc/13/86/85/528138685.db2.gz MXZCFKIAQRIBBV-UHFFFAOYSA-N 0 0 388.581 5.182 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C ZINC000408561055 528139230 /nfs/dbraw/zinc/13/92/30/528139230.db2.gz XGYJBXIQWQJKGE-UHFFFAOYSA-N 0 0 396.560 5.212 40 30 GKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408540270 528146453 /nfs/dbraw/zinc/14/64/53/528146453.db2.gz PKWILXIHLFYIRN-LTGZKZEYSA-N 0 0 394.540 5.846 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000408945154 528153575 /nfs/dbraw/zinc/15/35/75/528153575.db2.gz VZYBVQUHBFSZHV-HZHRSRAPSA-N 0 0 393.442 5.888 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 ZINC000409076699 528154121 /nfs/dbraw/zinc/15/41/21/528154121.db2.gz BXDCJCYGDUZEAX-CHHVJCJISA-N 0 0 380.202 5.028 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 ZINC000408960208 528162074 /nfs/dbraw/zinc/16/20/74/528162074.db2.gz JOVPELBZANYAEY-LJUQQBLGSA-N 0 0 391.540 5.301 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(CC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409092753 528162275 /nfs/dbraw/zinc/16/22/75/528162275.db2.gz WGHHYFULTYYKMY-QUUARBKMSA-N 0 0 384.932 5.916 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409076622 528162705 /nfs/dbraw/zinc/16/27/05/528162705.db2.gz BGEMVEWQJLRKIR-UKUDRTMLSA-N 0 0 391.323 6.007 40 30 GKEBRN CC(C)COc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408602367 528179797 /nfs/dbraw/zinc/17/97/97/528179797.db2.gz MXMGBQFNFFTTDZ-WQRHYEAKSA-N 0 0 386.904 5.266 40 30 GKEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000408667106 528192625 /nfs/dbraw/zinc/19/26/25/528192625.db2.gz QBWWFQKHBJQVIY-OQLLNIDSSA-N 0 0 388.463 5.569 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)cc1 ZINC000408591419 528195729 /nfs/dbraw/zinc/19/57/29/528195729.db2.gz SYNVVNWGNUBYQZ-DHRITJCHSA-N 0 0 389.455 5.103 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000408732430 528195805 /nfs/dbraw/zinc/19/58/05/528195805.db2.gz RIBPFIIWWMXAMK-WSDLNYQXSA-N 0 0 398.802 5.436 40 30 GKEBRN CCOc1cc(/C=C2/c3ccccc3NC2=O)ccc1OCc1ccccc1C#N ZINC000409118512 528195824 /nfs/dbraw/zinc/19/58/24/528195824.db2.gz QSLDQPMHMZSDLK-BKUYFWCQSA-N 0 0 396.446 5.029 40 30 GKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OC ZINC000408907053 528195918 /nfs/dbraw/zinc/19/59/18/528195918.db2.gz LHRASPAXRVEXMP-QNQNADBQSA-N 0 0 396.512 5.106 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 ZINC000100212085 528196252 /nfs/dbraw/zinc/19/62/52/528196252.db2.gz MSSPNRYWDANYEW-ZVHZXABRSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1O ZINC000409380500 528201193 /nfs/dbraw/zinc/20/11/93/528201193.db2.gz FSLHKIMONKPOJU-ZMOGYAJESA-N 0 0 388.379 5.526 40 30 GKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1 ZINC000408592593 528201405 /nfs/dbraw/zinc/20/14/05/528201405.db2.gz MUHFNRUVOMENOT-WGOQTCKBSA-N 0 0 386.451 5.087 40 30 GKEBRN CCOc1cc(C)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1C(C)C ZINC000408961496 528239245 /nfs/dbraw/zinc/23/92/45/528239245.db2.gz MQENWTWKGHKHFC-FYJGNVAPSA-N 0 0 394.540 5.717 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)c1 ZINC000408965832 528246132 /nfs/dbraw/zinc/24/61/32/528246132.db2.gz IXFOOUOWTNAIPM-OYKKKHCWSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)c1 ZINC000409378981 528246496 /nfs/dbraw/zinc/24/64/96/528246496.db2.gz TWMMMFMZTNDKCX-CIKLGQITSA-N 0 0 389.879 5.453 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)c1 ZINC000408967542 528246605 /nfs/dbraw/zinc/24/66/05/528246605.db2.gz QTXBFZQLGVPTLH-WGOQTCKBSA-N 0 0 388.511 6.145 40 30 GKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408738088 528246789 /nfs/dbraw/zinc/24/67/89/528246789.db2.gz NKQCTQKNCUKMET-ZVHZXABRSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)c1 ZINC000408966955 528247004 /nfs/dbraw/zinc/24/70/04/528247004.db2.gz OFXDNNOFZKPAKJ-CFRMEGHHSA-N 0 0 396.874 5.380 40 30 GKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C ZINC000408588292 528257604 /nfs/dbraw/zinc/25/76/04/528257604.db2.gz IVZVEXNSIMCEQD-DHRITJCHSA-N 0 0 389.455 5.103 40 30 GKEBRN CCOc1cc(COc2ccc(/C=N\O)cc2)ccc1OCc1ccccc1 ZINC000408540541 528288483 /nfs/dbraw/zinc/28/84/83/528288483.db2.gz TUGVBXJIGZPISV-IWIPYMOSSA-N 0 0 377.440 5.051 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000409090007 528293717 /nfs/dbraw/zinc/29/37/17/528293717.db2.gz NZRAZFLNLSEQCK-BGHCKBSUSA-N 0 0 383.561 5.961 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(C=NNc3ccc4ccccc4n3)c2C)cc1 ZINC000409191020 528358685 /nfs/dbraw/zinc/35/86/85/528358685.db2.gz YQECCTRFWAOFLH-PCLIKHOPSA-N 0 0 384.483 5.487 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000409186406 528358733 /nfs/dbraw/zinc/35/87/33/528358733.db2.gz BSDUIHKHWMOROQ-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl ZINC000408768938 528370134 /nfs/dbraw/zinc/37/01/34/528370134.db2.gz MKIBCCXZYDSSKZ-SXGWCWSVSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)cc1Cl ZINC000408778224 528370686 /nfs/dbraw/zinc/37/06/86/528370686.db2.gz RFOUXNNMEAPXQL-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOc1ccc(/C=N/c2cccc(Cl)c2)cc1I ZINC000408906710 528374195 /nfs/dbraw/zinc/37/41/95/528374195.db2.gz JTUISJXEAUZMNP-VCHYOVAHSA-N 0 0 385.632 5.094 40 30 GKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722072 528374487 /nfs/dbraw/zinc/37/44/87/528374487.db2.gz CXGVTOBHRVCEGP-YZSQISJMSA-N 0 0 398.531 6.935 40 30 GKEBRN CCOc1ccc(/C=N\c2ccc(C)cc2C)cc1I ZINC000408907400 528375030 /nfs/dbraw/zinc/37/50/30/528375030.db2.gz NEQZNLOJXRHRNR-ODLFYWEKSA-N 0 0 379.241 5.057 40 30 GKEBRN CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1-c1ccccc1 ZINC000409109731 528400621 /nfs/dbraw/zinc/40/06/21/528400621.db2.gz KAIANAAJYPLHPN-UHFFFAOYSA-N 0 0 390.464 5.024 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408916177 528450372 /nfs/dbraw/zinc/45/03/72/528450372.db2.gz VPMPTXRFGNFZKM-NVZLDUMVSA-N 0 0 394.540 5.716 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccc(C)cc1 ZINC000408907634 528450430 /nfs/dbraw/zinc/45/04/30/528450430.db2.gz BXMOMISKIOUCLI-DYEBMTOPSA-N 0 0 394.496 5.128 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409107299 528470825 /nfs/dbraw/zinc/47/08/25/528470825.db2.gz RSMYJTHSSNMSKI-JVWAILMASA-N 0 0 393.958 6.957 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(I)cc1 ZINC000409108689 528471330 /nfs/dbraw/zinc/47/13/30/528471330.db2.gz YOJNAJDEMCYKTC-ZDLGFXPLSA-N 0 0 385.632 5.094 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O ZINC000409107428 528471362 /nfs/dbraw/zinc/47/13/62/528471362.db2.gz POPVWJJZHSKGAY-PDGQHHTCSA-N 0 0 386.904 5.193 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408808823 528471366 /nfs/dbraw/zinc/47/13/66/528471366.db2.gz GHUFRJICWKCRBV-SXGWCWSVSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(C(C)(C)C)c3C)S2)cc1 ZINC000408950992 528483756 /nfs/dbraw/zinc/48/37/56/528483756.db2.gz HELIKGKZUUEFSW-CPNJWEJPSA-N 0 0 397.544 5.150 40 30 GKEBRN CC(C)n1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000409098372 528545155 /nfs/dbraw/zinc/54/51/55/528545155.db2.gz ONRMBNMFHRYRSM-AUEPDCJTSA-N 0 0 390.365 5.595 40 30 GKEBRN CC(C)n1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c2ccccc21 ZINC000408894801 528560730 /nfs/dbraw/zinc/56/07/30/528560730.db2.gz GDWBHNPUQSSNEL-UHFFFAOYSA-N 0 0 388.511 5.265 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 ZINC000409021061 528564653 /nfs/dbraw/zinc/56/46/53/528564653.db2.gz XJTZTPDBHWRUHZ-DTVDJLOLSA-N 0 0 387.907 6.225 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000408952761 528564746 /nfs/dbraw/zinc/56/47/46/528564746.db2.gz MPKGBYLYKNUVAH-XIEYBQDHSA-N 0 0 389.499 5.251 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408781215 528564816 /nfs/dbraw/zinc/56/48/16/528564816.db2.gz AZRPODJSHSOQHV-WGOQTCKBSA-N 0 0 392.474 5.941 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000408563950 528595419 /nfs/dbraw/zinc/59/54/19/528595419.db2.gz SNNRQDZENOREQK-IECKCJDVSA-N 0 0 397.946 7.234 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1 ZINC000408910428 528625764 /nfs/dbraw/zinc/62/57/64/528625764.db2.gz IGBZCJZJPZRZPV-NFEGURHZSA-N 0 0 394.540 5.654 40 30 GKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1 ZINC000408743719 528627396 /nfs/dbraw/zinc/62/73/96/528627396.db2.gz UONCLEMDALOSHI-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CC(C)N(/N=C/c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000408891902 528765072 /nfs/dbraw/zinc/76/50/72/528765072.db2.gz FBUIZWWFMCDOLI-PCLIKHOPSA-N 0 0 383.451 6.150 40 30 GKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O ZINC000408907297 528767198 /nfs/dbraw/zinc/76/71/98/528767198.db2.gz AUPMLFKIPOHPSF-OCIPIQTLSA-N 0 0 380.513 5.272 40 30 GKEBRN CCCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc21 ZINC000409040086 528809481 /nfs/dbraw/zinc/80/94/81/528809481.db2.gz SHDYCVHXMANDJS-MWYAZZEHSA-N 0 0 397.338 5.382 40 30 GKEBRN CC/N=C1\S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1CC ZINC000408846267 528829621 /nfs/dbraw/zinc/82/96/21/528829621.db2.gz IDCRQDNAUSZDJI-XYGVBGMQSA-N 0 0 395.311 5.566 40 30 GKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N1CC ZINC000408929540 528829638 /nfs/dbraw/zinc/82/96/38/528829638.db2.gz KSIFDWVBBRIXID-SAPPFYIZSA-N 0 0 381.545 5.023 40 30 GKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)N1CC ZINC000408930056 528829837 /nfs/dbraw/zinc/82/98/37/528829837.db2.gz RLNCGGAFIOLNRK-PIJRJAKLSA-N 0 0 381.545 5.023 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2/C=C/c1ccccc1 ZINC000059387310 528878899 /nfs/dbraw/zinc/87/88/99/528878899.db2.gz WJMDJNXTYZMWMF-ZHACJKMWSA-N 0 0 376.496 5.633 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 ZINC000409015608 528943596 /nfs/dbraw/zinc/94/35/96/528943596.db2.gz OPOMUWJOCDUBSW-OMSSWJLUSA-N 0 0 392.455 5.710 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409251194 528944258 /nfs/dbraw/zinc/94/42/58/528944258.db2.gz TZXSRISFDIEILX-NNCYSHEUSA-N 0 0 399.491 5.033 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(F)cc1 ZINC000409221216 528944430 /nfs/dbraw/zinc/94/44/30/528944430.db2.gz MTRIYOICYSJHTG-XHUOSBLBSA-N 0 0 395.286 5.756 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408906734 528944895 /nfs/dbraw/zinc/94/48/95/528944895.db2.gz DLBROLQFLKCFAX-DBSKITMISA-N 0 0 392.568 6.225 40 30 GKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000409228469 528945613 /nfs/dbraw/zinc/94/56/13/528945613.db2.gz ZAFSOULAASDWFG-WJGQKVTCSA-N 0 0 391.471 5.240 40 30 GKEBRN CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1cc(C)ccc1C ZINC000408906625 528945715 /nfs/dbraw/zinc/94/57/15/528945715.db2.gz CLNFPJDFDGRRTF-LBMUFILHSA-N 0 0 386.520 6.081 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408909445 528945721 /nfs/dbraw/zinc/94/57/21/528945721.db2.gz UJSIOSPVBPNNCE-QNQNADBQSA-N 0 0 380.513 5.406 40 30 GKEBRN CCCCc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409074975 529018438 /nfs/dbraw/zinc/01/84/38/529018438.db2.gz VZUIXIOMBIBJOD-KOEQRZSOSA-N 0 0 379.956 7.584 40 30 GKEBRN CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc2OC1 ZINC000225372121 529135290 /nfs/dbraw/zinc/13/52/90/529135290.db2.gz UNWZJNFKFKRARV-QPJJXVBHSA-N 0 0 377.267 5.687 40 30 GKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc1Cl ZINC000409017101 529191830 /nfs/dbraw/zinc/19/18/30/529191830.db2.gz DZFITAWVHGZFIM-JHAVZTMOSA-N 0 0 380.271 5.708 40 30 GKEBRN CC[C@H](C)Oc1ccc(/C=N/OCc2ccccc2C#N)cc1Br ZINC000408595707 529191833 /nfs/dbraw/zinc/19/18/33/529191833.db2.gz MNUZZXRSNOTMPZ-OFJBCHTGSA-N 0 0 387.277 5.049 40 30 GKEBRN CC[C@H](C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409405836 529195990 /nfs/dbraw/zinc/19/59/90/529195990.db2.gz VXTCWWKWOVHVKL-SFHVURJKSA-N 0 0 397.478 5.123 40 30 GKEBRN CC[C@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O ZINC000408605288 529197500 /nfs/dbraw/zinc/19/75/00/529197500.db2.gz YGJSHRUFRILTLT-SMEDBKPVSA-N 0 0 380.513 5.372 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409015694 529273757 /nfs/dbraw/zinc/27/37/57/529273757.db2.gz DGHCEOFGFMWSMS-FVQJWRHTSA-N 0 0 385.985 7.817 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408956032 529273772 /nfs/dbraw/zinc/27/37/72/529273772.db2.gz ZPFIJHCJTQDEHD-NTOSSWPYSA-N 0 0 385.099 6.069 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408910605 529349734 /nfs/dbraw/zinc/34/97/34/529349734.db2.gz ISBOSHFOUNSFTI-VOQLGAFASA-N 0 0 392.568 6.521 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912059 529349770 /nfs/dbraw/zinc/34/97/70/529349770.db2.gz KRACJNVIKOZWOG-QIZRFRSPSA-N 0 0 394.540 5.715 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408912089 529349846 /nfs/dbraw/zinc/34/98/46/529349846.db2.gz KXGDESZLJPWHTB-XNGCSZICSA-N 0 0 384.932 6.051 40 30 GKEBRN CCCCCCCCCCNC(=S)N1CCN(c2ccccc2Cl)CC1 ZINC000100986861 534982832 /nfs/dbraw/zinc/98/28/32/534982832.db2.gz KMDDPBDJHJAYKC-UHFFFAOYSA-N 0 0 396.044 5.477 40 30 GKEBRN Brc1ccc(-c2csc(N=NC=CCc3ccccc3)n2)cc1 ZINC000034804668 570210323 /nfs/dbraw/zinc/21/03/23/570210323.db2.gz AEPHKWDVMBCCFJ-LIJKSJPWSA-N 0 0 384.302 5.684 40 30 GKEBRN CCOc1ccc(-c2nc(N=NC3C[C@H]4CC[C@]3(C)C4(C)C)sc2C)cc1 ZINC000005475663 570255502 /nfs/dbraw/zinc/25/55/02/570255502.db2.gz YOKLJHCYODIKQE-HCSDUFMDSA-N 0 0 383.561 5.553 40 30 GKEBRN C#CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223518674 570260670 /nfs/dbraw/zinc/26/06/70/570260670.db2.gz WPTUNHJPRBISBG-NDENLUEZSA-N 0 0 394.540 5.075 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O ZINC000223518539 570260855 /nfs/dbraw/zinc/26/08/55/570260855.db2.gz ICJNLLFXVYLDQT-NDENLUEZSA-N 0 0 396.556 5.628 40 30 GKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1c[nH]c2ccccc12 ZINC000001447380 570263445 /nfs/dbraw/zinc/26/34/45/570263445.db2.gz JEEDTFSNKVHVEP-CXUHLZMHSA-N 0 0 387.386 5.078 40 30 GKEBRN CCON(/C=N/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000001568378 570265049 /nfs/dbraw/zinc/26/50/49/570265049.db2.gz MMNXZCHXTUHOAK-AWQFTUOYSA-N 0 0 378.086 6.418 40 30 GKEBRN C[C@]12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O ZINC000002146335 570276123 /nfs/dbraw/zinc/27/61/23/570276123.db2.gz HGPNGXFIZUYUNC-HHHXNRCGSA-N 0 0 376.455 5.937 40 30 GKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000020572617 570280299 /nfs/dbraw/zinc/28/02/99/570280299.db2.gz XZWUGWAIVKGTRA-VJGSLMQASA-N 0 0 390.502 5.863 40 30 GKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 ZINC000035288889 570280931 /nfs/dbraw/zinc/28/09/31/570280931.db2.gz AOFCGKWODQHKGG-UHFFFAOYSA-N 0 0 395.915 5.614 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000020761317 570281766 /nfs/dbraw/zinc/28/17/66/570281766.db2.gz JJODHYQHIGHPOZ-ZVHZXABRSA-N 0 0 380.875 5.051 40 30 GKEBRN N#Cc1c(/N=C\c2ccc(F)cc2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000101206711 570281808 /nfs/dbraw/zinc/28/18/08/570281808.db2.gz DHIPRKPWALODEU-YUMHPJSZSA-N 0 0 382.463 6.843 40 30 GKEBRN C=CCc1cccc(/C=N/c2cccc(/C=N/c3cccc(CC=C)c3O)n2)c1O ZINC000101206793 570281830 /nfs/dbraw/zinc/28/18/30/570281830.db2.gz GQIJIMVYZNYWII-GJNCCAKSSA-N 0 0 397.478 5.451 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020761716 570282273 /nfs/dbraw/zinc/28/22/73/570282273.db2.gz JHABUOKIXDIRHL-FSJBWODESA-N 0 0 375.255 5.386 40 30 GKEBRN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1-c1ccccc1 ZINC000002526335 570289912 /nfs/dbraw/zinc/28/99/12/570289912.db2.gz JMOOZLCLDFNQRB-UHFFFAOYSA-N 0 0 388.670 5.153 40 30 GKEBRN Clc1nc2sccn2c1/C=N/Nc1c(Cl)cc(Cl)cc1Cl ZINC000021187595 570293268 /nfs/dbraw/zinc/29/32/68/570293268.db2.gz VCQLNTGDSGQIRH-YAXRCOADSA-N 0 0 380.087 5.455 40 30 GKEBRN CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000104149533 570298374 /nfs/dbraw/zinc/29/83/74/570298374.db2.gz ICXAHLHYIPLYOQ-HPNDGRJYSA-N 0 0 379.588 8.045 40 30 GKEBRN CCCCCCCCCCCCCCCCCCNC(=O)Nc1nccs1 ZINC000104163522 570298542 /nfs/dbraw/zinc/29/85/42/570298542.db2.gz JXXDJYOVWKPFFY-UHFFFAOYSA-N 0 0 395.657 7.526 40 30 GKEBRN CCCCCCCCCCCCCC(=O)OCCP(=O)(OCC)OCC ZINC000104172337 570298563 /nfs/dbraw/zinc/29/85/63/570298563.db2.gz DQLZGYRLBQZHRU-UHFFFAOYSA-N 0 0 392.517 6.497 40 30 GKEBRN CCCCCCCCCc1ccc(O[C@@H](C)OCCOCCOCC)cc1 ZINC000104158457 570298665 /nfs/dbraw/zinc/29/86/65/570298665.db2.gz GBANMXYSFHVOTH-NRFANRHFSA-N 0 0 380.569 5.774 40 30 GKEBRN Cc1cc(Cl)ccc1/N=C/c1ccc(/C=N\c2ccc(Cl)cc2C)cc1 ZINC000104187509 570298785 /nfs/dbraw/zinc/29/87/85/570298785.db2.gz INRUPKNLUGMVIP-KGRJIBJCSA-N 0 0 381.306 7.111 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 ZINC000003060998 570299617 /nfs/dbraw/zinc/29/96/17/570299617.db2.gz LVJYAVNXDQHHAL-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN CCCCCCCCCCCCCCCCSc1ccncc1NN=O ZINC000104235436 570299799 /nfs/dbraw/zinc/29/97/99/570299799.db2.gz MVHIZQPKGXAGRU-UHFFFAOYSA-N 0 0 379.614 7.748 40 30 GKEBRN CCCCCCCCCCCCCC[N+](C)(CC(=O)[O-])Cc1ccccc1 ZINC000104242231 570300135 /nfs/dbraw/zinc/30/01/35/570300135.db2.gz DKXZDCZUCUSNGY-UHFFFAOYSA-O 0 0 376.605 6.419 40 30 GKEBRN CCCCCCCCCCCCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000104250059 570300194 /nfs/dbraw/zinc/30/01/94/570300194.db2.gz JIXLKBHXBMAHGM-UHFFFAOYSA-N 0 0 379.566 5.532 40 30 GKEBRN CCCCCC/C=C\CCCCCCCCCc1cc(O)cc(OC)c1O ZINC000104272332 570300250 /nfs/dbraw/zinc/30/02/50/570300250.db2.gz BDWQNYPENCTULP-HJWRWDBZSA-N 0 0 376.581 7.296 40 30 GKEBRN O=C1/C(=N\c2ccc(Cl)nc2)C[C@H](c2ccccc2)N1c1ccc(Cl)nc1 ZINC000104318703 570301223 /nfs/dbraw/zinc/30/12/23/570301223.db2.gz IEDHRGHUGCVFDC-GGMUZDTOSA-N 0 0 397.265 5.034 40 30 GKEBRN CCCCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 ZINC000104324807 570301264 /nfs/dbraw/zinc/30/12/64/570301264.db2.gz YTYBVIPBLRSIRX-UHFFFAOYSA-N 0 0 391.596 7.224 40 30 GKEBRN CC(C)(CCCCC(C)(C)/C(=N\O)c1ccccc1)/C(=N\O)c1ccccc1 ZINC000104327622 570301604 /nfs/dbraw/zinc/30/16/04/570301604.db2.gz BDONFPPVLKFAKB-ORFRIDJFSA-N 0 0 380.532 6.356 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000104373397 570302277 /nfs/dbraw/zinc/30/22/77/570302277.db2.gz TWJRLEDTLXGCRW-XLNRJJMWSA-N 0 0 392.569 5.314 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\C(C)=C\c1ccccc1 ZINC000104386659 570302717 /nfs/dbraw/zinc/30/27/17/570302717.db2.gz BWONBQIZMOWFQC-GLMPBZBVSA-N 0 0 387.637 6.461 40 30 GKEBRN Cc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)c(C#N)cc2c1 ZINC000035291653 570304863 /nfs/dbraw/zinc/30/48/63/570304863.db2.gz CPRDJFXWARHRAU-UHFFFAOYSA-N 0 0 375.497 5.269 40 30 GKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 ZINC000113778138 570333583 /nfs/dbraw/zinc/33/35/83/570333583.db2.gz VHLHXMDGWYEYJB-CYBMUJFWSA-N 0 0 379.887 5.525 40 30 GKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 ZINC000113815745 570333902 /nfs/dbraw/zinc/33/39/02/570333902.db2.gz NCYNEDMZDYTINU-UHFFFAOYSA-N 0 0 377.871 5.434 40 30 GKEBRN N#Cc1c(/N=C\c2ccc(-c3ccc(F)cc3F)o2)sc2c1C1CCN2CC1 ZINC000408605929 570347247 /nfs/dbraw/zinc/34/72/47/570347247.db2.gz ZHYARFKIYJVCPX-GATIEOLUSA-N 0 0 395.434 5.606 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000408626087 570348293 /nfs/dbraw/zinc/34/82/93/570348293.db2.gz ZRBJYDMFLMYWTL-VAWYXSNFSA-N 0 0 380.285 5.753 40 30 GKEBRN CCOC(=O)c1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C ZINC000408629273 570348956 /nfs/dbraw/zinc/34/89/56/570348956.db2.gz UIUKEPWNWDLXQK-UHFFFAOYSA-N 0 0 398.871 5.164 40 30 GKEBRN CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000408629173 570349004 /nfs/dbraw/zinc/34/90/04/570349004.db2.gz NVJMRTHTZHFUMI-INIZCTEOSA-N 0 0 396.556 5.812 40 30 GKEBRN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000408629311 570349237 /nfs/dbraw/zinc/34/92/37/570349237.db2.gz WLMJOWOKSKDDOZ-INIZCTEOSA-N 0 0 396.556 5.810 40 30 GKEBRN Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000006254643 570350060 /nfs/dbraw/zinc/35/00/60/570350060.db2.gz HFDLAIIQAMPHJM-CYBMUJFWSA-N 0 0 397.500 5.240 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NC=C2CCCCC2C=Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004273527 570364544 /nfs/dbraw/zinc/36/45/44/570364544.db2.gz LPUAUBBPEGJXFR-LHHFMTGBSA-N 0 0 392.415 5.485 40 30 GKEBRN CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118913475 570366733 /nfs/dbraw/zinc/36/67/33/570366733.db2.gz CTVOPPAULYUILQ-GZKDOEDLSA-N 0 0 397.603 6.327 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CC[C@@H]2Oc1ccccc1 ZINC000118927540 570368410 /nfs/dbraw/zinc/36/84/10/570368410.db2.gz FTBCCQMRVHGCFJ-QXMOZHRRSA-N 0 0 378.512 5.145 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1C(=O)OC(C)C ZINC000408621762 570371564 /nfs/dbraw/zinc/37/15/64/570371564.db2.gz NRTAHEURNJZNKA-CCEZHUSRSA-N 0 0 387.479 5.555 40 30 GKEBRN C=CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC ZINC000218657967 570372088 /nfs/dbraw/zinc/37/20/88/570372088.db2.gz WOHPAJTZOPBLTE-MOPGFXCFSA-N 0 0 392.543 5.151 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219817408 570373429 /nfs/dbraw/zinc/37/34/29/570373429.db2.gz SSGQRRSVAKQLHJ-RTBURBONSA-N 0 0 394.584 5.692 40 30 GKEBRN O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000408625016 570374675 /nfs/dbraw/zinc/37/46/75/570374675.db2.gz WCCJHMUAOSNFIN-ACCUITESSA-N 0 0 383.274 6.469 40 30 GKEBRN N#Cc1cc2c(nc1SCc1ccc(Cl)cc1Cl)C1CCN2CC1 ZINC000016385041 570376352 /nfs/dbraw/zinc/37/63/52/570376352.db2.gz QCNYWYWXXYWNDT-UHFFFAOYSA-N 0 0 376.312 5.250 40 30 GKEBRN CCCCCCCCCCC(CS)(CS)CCCCCCCCCC ZINC000102999245 570384355 /nfs/dbraw/zinc/38/43/55/570384355.db2.gz IKOBKNJGRTUUKH-UHFFFAOYSA-N 0 0 388.771 8.894 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006880614 570384660 /nfs/dbraw/zinc/38/46/60/570384660.db2.gz BDKBTFZHJSSMJO-LPYMAVHISA-N 0 0 390.321 6.004 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000006880612 570384731 /nfs/dbraw/zinc/38/47/31/570384731.db2.gz BYSRDXIBLUPEHA-CIAFOILYSA-N 0 0 376.294 5.614 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000006880638 570384982 /nfs/dbraw/zinc/38/49/82/570384982.db2.gz JUTCGLLCICPCJL-SRZZPIQSSA-N 0 0 396.712 5.959 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br ZINC000006880640 570385026 /nfs/dbraw/zinc/38/50/26/570385026.db2.gz MFGOGGMANDBZRG-YBFXNURJSA-N 0 0 397.110 5.751 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006880636 570385113 /nfs/dbraw/zinc/38/51/13/570385113.db2.gz IYMIXIXRVLQEAL-LPYMAVHISA-N 0 0 390.321 6.004 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408754828 570393317 /nfs/dbraw/zinc/39/33/17/570393317.db2.gz OLFUEEABVBEVEZ-RYRKJORJSA-N 0 0 396.244 5.055 40 30 GKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408757562 570394409 /nfs/dbraw/zinc/39/44/09/570394409.db2.gz ZYOKHKPMQFXQRF-OVVQPSECSA-N 0 0 399.925 6.920 40 30 GKEBRN CCO[C@H]1C[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 ZINC000004721161 570397532 /nfs/dbraw/zinc/39/75/32/570397532.db2.gz ARJPPIIZDXIWHR-RSNWGCIOSA-N 0 0 384.560 5.801 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 ZINC000408762347 570397593 /nfs/dbraw/zinc/39/75/93/570397593.db2.gz AQIOWJCRPBUBQE-SSDVNMTOSA-N 0 0 388.254 6.060 40 30 GKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408759625 570397871 /nfs/dbraw/zinc/39/78/71/570397871.db2.gz IDESCKIKDLTCDO-UUYOSTAYSA-N 0 0 383.835 5.415 40 30 GKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCC ZINC000006959574 570403949 /nfs/dbraw/zinc/40/39/49/570403949.db2.gz RHHRSPOGMBMJIZ-SRZZPIQSSA-N 0 0 396.712 5.959 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 ZINC000408771547 570406505 /nfs/dbraw/zinc/40/65/05/570406505.db2.gz JBOQVRSHMPQHSG-DHRITJCHSA-N 0 0 382.410 5.300 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 ZINC000004887103 570415834 /nfs/dbraw/zinc/41/58/34/570415834.db2.gz CWLSXLGVSRANSC-FFYPTGFQSA-N 0 0 392.583 6.060 40 30 GKEBRN C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224683271 570425651 /nfs/dbraw/zinc/42/56/51/570425651.db2.gz BDMUGAJXHINMFT-UHFFFAOYSA-N 0 0 379.481 5.169 40 30 GKEBRN Cc1ccc2sc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3)nc2c1 ZINC000005343099 570434638 /nfs/dbraw/zinc/43/46/38/570434638.db2.gz CORJFLPIVRNWME-WSDLNYQXSA-N 0 0 389.436 5.636 40 30 GKEBRN Nc1cc(/N=C/c2c(O)ccc3ccccc32)cc(-c2nc3ccccc3o2)c1 ZINC000005338606 570434687 /nfs/dbraw/zinc/43/46/87/570434687.db2.gz SFQPUUSPKGDLND-VULFUBBASA-N 0 0 379.419 5.686 40 30 GKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccccc1 ZINC000005376274 570436542 /nfs/dbraw/zinc/43/65/42/570436542.db2.gz WHXZULRHSFZKAX-ZSOIEALJSA-N 0 0 382.794 5.250 40 30 GKEBRN COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O ZINC000005400283 570437808 /nfs/dbraw/zinc/43/78/08/570437808.db2.gz JIZKDOVBJXMHFC-FSJBWODESA-N 0 0 377.831 5.348 40 30 GKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccccc3)cc2)cc1 ZINC000005418906 570438864 /nfs/dbraw/zinc/43/88/64/570438864.db2.gz KBZWGALYMYGISO-LGUFXXKBSA-N 0 0 387.479 6.225 40 30 GKEBRN C=CCN(c1cccc(Cl)c1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224935871 570441847 /nfs/dbraw/zinc/44/18/47/570441847.db2.gz FQOYEQICGJVWHE-UHFFFAOYSA-N 0 0 390.719 5.337 40 30 GKEBRN C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224980085 570444250 /nfs/dbraw/zinc/44/42/50/570444250.db2.gz CAHNRFGNCZLKMU-UHFFFAOYSA-N 0 0 388.341 5.097 40 30 GKEBRN CCCCCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000039388788 570444867 /nfs/dbraw/zinc/44/48/67/570444867.db2.gz OVLFNCSSNGQYOG-ULJHMMPZSA-N 0 0 379.529 6.215 40 30 GKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000005551098 570444924 /nfs/dbraw/zinc/44/49/24/570444924.db2.gz NVRDHNUSBWYSJJ-AUWJEWJLSA-N 0 0 383.687 5.538 40 30 GKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1cccc2ccccc12 ZINC000005551546 570445014 /nfs/dbraw/zinc/44/50/14/570445014.db2.gz QBTWBKVPCUHIOI-VCHYOVAHSA-N 0 0 382.847 5.524 40 30 GKEBRN CCc1ccc(C(=O)C[C@@H](C(=C(C)C)C(=O)c2ccc(CC)cc2)C(C)C)cc1 ZINC000039436321 570445084 /nfs/dbraw/zinc/44/50/84/570445084.db2.gz TXUGZJORHPHIEA-XMMPIXPASA-N 0 0 390.567 6.876 40 30 GKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 ZINC000005551447 570445094 /nfs/dbraw/zinc/44/50/94/570445094.db2.gz YUEXHIFMXCKOJI-AMQBKCJUSA-N 0 0 376.525 5.867 40 30 GKEBRN CC/N=C1\S/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)C(=O)N1CC ZINC000005552175 570445341 /nfs/dbraw/zinc/44/53/41/570445341.db2.gz XYCWCGGPAMCAPQ-XYGVBGMQSA-N 0 0 395.311 5.566 40 30 GKEBRN CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000005551695 570445424 /nfs/dbraw/zinc/44/54/24/570445424.db2.gz QPYRDBNIQVLCAQ-GDNBJRDFSA-N 0 0 393.295 5.284 40 30 GKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc2ccccc12 ZINC000005551558 570445568 /nfs/dbraw/zinc/44/55/68/570445568.db2.gz HDQSOPMFELCKEP-VCHYOVAHSA-N 0 0 399.302 6.038 40 30 GKEBRN C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224992380 570445637 /nfs/dbraw/zinc/44/56/37/570445637.db2.gz MWCYJAHABCGUPP-UHFFFAOYSA-N 0 0 395.549 5.457 40 30 GKEBRN CCCC/N=C1\S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CCCC ZINC000005552235 570446009 /nfs/dbraw/zinc/44/60/09/570446009.db2.gz FFKNPSLMPBRCBQ-HWYZMAPZSA-N 0 0 385.360 5.866 40 30 GKEBRN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000005616724 570449230 /nfs/dbraw/zinc/44/92/30/570449230.db2.gz JUVAGFXPUBAXEO-ZCXUNETKSA-N 0 0 377.443 5.879 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000001959830 570451023 /nfs/dbraw/zinc/45/10/23/570451023.db2.gz VIJXGMAIHPZZHG-CQSZACIVSA-N 0 0 382.529 5.060 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000005734461 570453992 /nfs/dbraw/zinc/45/39/92/570453992.db2.gz GPUBYNOKVNWERC-HXUWFJFHSA-N 0 0 397.862 5.470 40 30 GKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408758927 570455377 /nfs/dbraw/zinc/45/53/77/570455377.db2.gz UYCCVSZFCAHODM-ATVHPVEESA-N 0 0 396.468 5.462 40 30 GKEBRN CC[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 ZINC000005766567 570456089 /nfs/dbraw/zinc/45/60/89/570456089.db2.gz WLOSOUFXXKTZQT-DEOSSOPVSA-N 0 0 381.435 5.173 40 30 GKEBRN C=CCOc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 ZINC000225868359 570457723 /nfs/dbraw/zinc/45/77/23/570457723.db2.gz IQGYOCVCNKJEMT-UHFFFAOYSA-N 0 0 380.557 5.483 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225666026 570457775 /nfs/dbraw/zinc/45/77/75/570457775.db2.gz BBJLHMZJGGMCFY-GOSISDBHSA-N 0 0 395.572 5.289 40 30 GKEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225665929 570457862 /nfs/dbraw/zinc/45/78/62/570457862.db2.gz CBMCJHUWBVGOIY-SFHVURJKSA-N 0 0 395.572 5.289 40 30 GKEBRN Cc1nc(-c2cccnc2)sc1C(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000005808948 570457899 /nfs/dbraw/zinc/45/78/99/570457899.db2.gz ZIEQDCXJDPTYMX-ALCCZGGFSA-N 0 0 375.280 5.716 40 30 GKEBRN C=CCOc1cccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1 ZINC000225868613 570457975 /nfs/dbraw/zinc/45/79/75/570457975.db2.gz XJUAKKHJTMDHTN-UHFFFAOYSA-N 0 0 396.556 5.406 40 30 GKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000008084248 570458300 /nfs/dbraw/zinc/45/83/00/570458300.db2.gz DXXPCTXZJVAAQF-HYARGMPZSA-N 0 0 388.305 5.726 40 30 GKEBRN C=CCOc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 ZINC000225868080 570458366 /nfs/dbraw/zinc/45/83/66/570458366.db2.gz JGJXTATZHVOTTB-UHFFFAOYSA-N 0 0 386.948 5.661 40 30 GKEBRN N#Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000226339682 570459938 /nfs/dbraw/zinc/45/99/38/570459938.db2.gz LLUFBKDJLWWOCS-UHFFFAOYSA-N 0 0 391.479 5.860 40 30 GKEBRN Cc1ccc(O)c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000005961205 570463513 /nfs/dbraw/zinc/46/35/13/570463513.db2.gz UNGBNEYPFWFHDU-AFUMVMLFSA-N 0 0 384.435 5.758 40 30 GKEBRN N#Cc1c(/N=C/c2cccc3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000040148045 570466761 /nfs/dbraw/zinc/46/67/61/570466761.db2.gz SJRAGWPUUXUXDI-NDZAJKAJSA-N 0 0 398.465 7.389 40 30 GKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000008277828 570470579 /nfs/dbraw/zinc/47/05/79/570470579.db2.gz LNQWELLKTQXOCH-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 ZINC000408761853 570471272 /nfs/dbraw/zinc/47/12/72/570471272.db2.gz HJZKVRWXMZQXQW-AQTBWJFISA-N 0 0 392.505 5.631 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408762035 570471298 /nfs/dbraw/zinc/47/12/98/570471298.db2.gz CEOAXRCPBMONMO-OYKKKHCWSA-N 0 0 380.875 5.675 40 30 GKEBRN Cc1ccc(NC=CC(=O)c2ccc(I)cc2)cc1Cl ZINC000006215934 570472208 /nfs/dbraw/zinc/47/22/08/570472208.db2.gz BQQXLFJYLRBESJ-HJWRWDBZSA-N 0 0 397.643 5.062 40 30 GKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)ccc1Cl ZINC000408762090 570472336 /nfs/dbraw/zinc/47/23/36/570472336.db2.gz COPZQQINOLOPCC-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223587741 570473067 /nfs/dbraw/zinc/47/30/67/570473067.db2.gz FRDRGMFKRQQZLD-PTZPRWATSA-N 0 0 394.519 5.850 40 30 GKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cn1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223588027 570473328 /nfs/dbraw/zinc/47/33/28/570473328.db2.gz VMYWNDFZSMKRQO-UPVZUOOXSA-N 0 0 395.507 5.245 40 30 GKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587681 570473382 /nfs/dbraw/zinc/47/33/82/570473382.db2.gz FRDRGMFKRQQZLD-ZZQPOVDQSA-N 0 0 394.519 5.850 40 30 GKEBRN CCCCc1ccc(/N=C/c2cc(I)cc(C)c2O)cc1 ZINC000006273996 570475198 /nfs/dbraw/zinc/47/51/98/570475198.db2.gz XJKAMXIOZSWRMO-UDWIEESQSA-N 0 0 393.268 5.398 40 30 GKEBRN Cc1c(Cl)cccc1NN=C1c2cc(C(C)C)ccc2N(C2CSC2)C1=O ZINC000223728411 570481855 /nfs/dbraw/zinc/48/18/55/570481855.db2.gz LEONNPKLITUAMT-GFMRDNFCSA-N 0 0 399.947 5.050 40 30 GKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000000793517 570481904 /nfs/dbraw/zinc/48/19/04/570481904.db2.gz SPNPHQCAGHWSBO-VULFUBBASA-N 0 0 382.394 6.243 40 30 GKEBRN CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000000793523 570481924 /nfs/dbraw/zinc/48/19/24/570481924.db2.gz GMQAHYYNPBDBII-ZMOGYAJESA-N 0 0 376.387 5.489 40 30 GKEBRN COc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000799899 570482180 /nfs/dbraw/zinc/48/21/80/570482180.db2.gz AFFBXBRBHIXZAQ-VQGIZBIESA-N 0 0 379.312 5.811 40 30 GKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000000799768 570482247 /nfs/dbraw/zinc/48/22/47/570482247.db2.gz IERRBBWLOFROOK-LGJNPRDNSA-N 0 0 394.305 6.700 40 30 GKEBRN C(=N/c1ccc(-c2nc3ccccc3s2)cc1)\c1ccc(N2CCOCC2)cc1 ZINC000006816921 570495376 /nfs/dbraw/zinc/49/53/76/570495376.db2.gz SUBJVINREXWKSA-KOEQRZSOSA-N 0 0 399.519 5.551 40 30 GKEBRN C=CCN(CC=C)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000006855726 570496747 /nfs/dbraw/zinc/49/67/47/570496747.db2.gz QBLVUTRJKATLKU-UHFFFAOYSA-N 0 0 390.537 5.369 40 30 GKEBRN O=C(/C=C/Sc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000006863180 570497165 /nfs/dbraw/zinc/49/71/65/570497165.db2.gz SBMRERXVNDXDIG-BQYQJAHWSA-N 0 0 388.113 6.245 40 30 GKEBRN Fc1c(F)c(F)c(N=NCc2ccccc2OCc2ccccc2)c(F)c1F ZINC000006927475 570498974 /nfs/dbraw/zinc/49/89/74/570498974.db2.gz AXXATUFUOCGHHM-NSKAYECMSA-N 0 0 392.327 5.407 40 30 GKEBRN CCOc1cc(Br)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1O ZINC000000870621 570501382 /nfs/dbraw/zinc/50/13/82/570501382.db2.gz MBFBPPDWKVKCFZ-FSJBWODESA-N 0 0 396.284 5.556 40 30 GKEBRN CCOc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Br ZINC000408933027 570505807 /nfs/dbraw/zinc/50/58/07/570505807.db2.gz GUKWANATGXTVMO-FBHDLOMBSA-N 0 0 387.199 5.313 40 30 GKEBRN Cc1cc2cc(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C ZINC000000883117 570508674 /nfs/dbraw/zinc/50/86/74/570508674.db2.gz WCPJIGOTZHZCGC-IBGZPJMESA-N 0 0 391.902 5.443 40 30 GKEBRN Cc1[nH]c(=S)c(C#N)c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000005259343 570528077 /nfs/dbraw/zinc/52/80/77/570528077.db2.gz FTBSKEZGWHIGHJ-YQYMGQQASA-N 0 0 394.584 5.262 40 30 GKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c1C ZINC000008415176 570531512 /nfs/dbraw/zinc/53/15/12/570531512.db2.gz ALWIPZDFLAPCHM-PXNMLYILSA-N 0 0 377.296 5.502 40 30 GKEBRN COc1ccc([C@@H](CC#N)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1OC ZINC000001084369 570537098 /nfs/dbraw/zinc/53/70/98/570537098.db2.gz HSFRTCRSRLGYCS-GDBMZVCRSA-N 0 0 375.255 5.315 40 30 GKEBRN C/C(=N\n1c(-c2cccc(Cl)c2)cs/c1=N\c1ccccc1)c1ccco1 ZINC000006312688 570537403 /nfs/dbraw/zinc/53/74/03/570537403.db2.gz SJIOVFUKVOJYDT-IILZJKCVSA-N 0 0 393.899 5.968 40 30 GKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccccc1Cl ZINC000035647388 570538319 /nfs/dbraw/zinc/53/83/19/570538319.db2.gz OFMOFXSCANQWTE-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1 ZINC000035647436 570538434 /nfs/dbraw/zinc/53/84/34/570538434.db2.gz NKBFVZSMDNZQQC-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN CCc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N ZINC000001354367 570573754 /nfs/dbraw/zinc/57/37/54/570573754.db2.gz VCYAWNFKIVURBN-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1 ZINC000001354422 570573790 /nfs/dbraw/zinc/57/37/90/570573790.db2.gz YETIXALZHSTLKC-UHFFFAOYSA-N 0 0 381.888 5.108 40 30 GKEBRN C[C@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654963 570598772 /nfs/dbraw/zinc/59/87/72/570598772.db2.gz KLWVNLSIVPTBKE-SFHVURJKSA-N 0 0 392.572 5.037 40 30 GKEBRN C[C@@H](NC(=S)Nc1ccc(CC#N)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668778 570600678 /nfs/dbraw/zinc/60/06/78/570600678.db2.gz QAEAVLIAYRBSER-QZTJIDSGSA-N 0 0 392.572 5.037 40 30 GKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000005475535 570604386 /nfs/dbraw/zinc/60/43/86/570604386.db2.gz QPRWVZGGTABDGQ-HNNXBMFYSA-N 0 0 382.529 5.422 40 30 GKEBRN O=C1/C(=C/c2ccccc2)CC[C@@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 ZINC000004023612 570612946 /nfs/dbraw/zinc/61/29/46/570612946.db2.gz NKLXMIJMKFCEFM-UFXJWMMISA-N 0 0 388.507 5.460 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@]12C ZINC000030725693 570622526 /nfs/dbraw/zinc/62/25/26/570622526.db2.gz OJFSRAVBTAGBIM-UXWTYBCRSA-N 0 0 386.664 7.629 40 30 in-vitro GKEBRN N#CCc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 ZINC000225853330 570626310 /nfs/dbraw/zinc/62/63/10/570626310.db2.gz QPLMZRRKWKCFIO-UHFFFAOYSA-N 0 0 397.975 5.638 40 30 GKEBRN CCCCCCCCCCCCNC1=C(Cl)C(=O)C(=O)c2cccnc21 ZINC000001726815 570631327 /nfs/dbraw/zinc/63/13/27/570631327.db2.gz ZDZLKMLYWBLEHZ-UHFFFAOYSA-N 0 0 376.928 5.265 40 30 GKEBRN CC(=O)Oc1cc([N+](=O)[O-])ccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000004832618 570633473 /nfs/dbraw/zinc/63/34/73/570633473.db2.gz WQJQQPYNHKWCQQ-UHFFFAOYSA-N 0 0 398.459 5.120 40 30 GKEBRN COc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC3(CCCCC3)O2)cc1 ZINC000004832633 570633833 /nfs/dbraw/zinc/63/38/33/570633833.db2.gz FPTFEUSGFOXWSK-BFKYXJSMSA-N 0 0 375.468 6.030 40 30 GKEBRN CCc1ccccc1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N ZINC000004849149 570635061 /nfs/dbraw/zinc/63/50/61/570635061.db2.gz NHVNEIRFTGEKKA-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c(C)c1 ZINC000004849153 570635201 /nfs/dbraw/zinc/63/52/01/570635201.db2.gz HVTYEWBIRSQQKK-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(C(C)(C)C)cc(Br)c1O2 ZINC000040546147 570638149 /nfs/dbraw/zinc/63/81/49/570638149.db2.gz AWPVITASULFTPY-IBGZPJMESA-N 0 0 392.293 5.044 40 30 GKEBRN CC[C@H](C)/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 ZINC000004858992 570639627 /nfs/dbraw/zinc/63/96/27/570639627.db2.gz DDKNVRDBLKXKIJ-LSJZCYCUSA-N 0 0 395.597 6.176 40 30 GKEBRN c1ccc([C@@]23c4ccccc4/C(=N\C4CCCCC4)[C@@H]2N3C2CCCCC2)cc1 ZINC000004877705 570641710 /nfs/dbraw/zinc/64/17/10/570641710.db2.gz SHSOKWPHFHWYHE-UYYLXTPDSA-N 0 0 384.567 6.083 40 30 GKEBRN c1sc(N=NC(Cc2ccccc2)Cc2ccccc2)nc1-c1ccccc1 ZINC000045068167 570646352 /nfs/dbraw/zinc/64/63/52/570646352.db2.gz NOHVVAWJUWQGKD-UHFFFAOYSA-N 0 0 383.520 6.063 40 30 GKEBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC#N)n2)cc1 ZINC000004952448 570646434 /nfs/dbraw/zinc/64/64/34/570646434.db2.gz NEEQQDHOAVFUHM-UHFFFAOYSA-N 0 0 375.884 5.865 40 30 GKEBRN CCCCOc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1 ZINC000045221810 570646774 /nfs/dbraw/zinc/64/67/74/570646774.db2.gz OIFNYBXRQKPMDQ-FLFQWRMESA-N 0 0 393.508 5.731 40 30 GKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C)cc2C)cc1 ZINC000004923729 570648927 /nfs/dbraw/zinc/64/89/27/570648927.db2.gz KMIYCSUKGDKAHC-WGOQTCKBSA-N 0 0 396.494 5.611 40 30 GKEBRN Cc1c(Br)c(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccccc1 ZINC000059104979 570649744 /nfs/dbraw/zinc/64/97/44/570649744.db2.gz QJNSGHXODXTGGR-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1 ZINC000059137704 570650687 /nfs/dbraw/zinc/65/06/87/570650687.db2.gz FIJBPKJUSMXCDK-MOSHPQCFSA-N 0 0 392.455 5.540 40 30 GKEBRN Cc1ccccc1C(=O)Oc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059194498 570651651 /nfs/dbraw/zinc/65/16/51/570651651.db2.gz LNWCJELXERALII-OEAKJJBVSA-N 0 0 387.464 5.270 40 30 GKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1C ZINC000059224092 570651727 /nfs/dbraw/zinc/65/17/27/570651727.db2.gz YJOPEBLUHZTBJH-STZFKDTASA-N 0 0 391.540 5.104 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 ZINC000059224375 570651742 /nfs/dbraw/zinc/65/17/42/570651742.db2.gz ISVWDPZXUHAQNU-NVMNQCDNSA-N 0 0 381.888 5.032 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059248960 570652498 /nfs/dbraw/zinc/65/24/98/570652498.db2.gz SNYUPBDMWBFREI-XQNSMLJCSA-N 0 0 396.332 5.837 40 30 GKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cccn3-c3ccccc3)cc2)cc1 ZINC000059249683 570652499 /nfs/dbraw/zinc/65/24/99/570652499.db2.gz JSAAYZARIHNOKC-JJIBRWJFSA-N 0 0 399.475 6.287 40 30 GKEBRN Cc1c(/C=N/c2ccc(I)cc2C)c2ccccc2n1C ZINC000059247945 570652670 /nfs/dbraw/zinc/65/26/70/570652670.db2.gz CZGCBPRLOLQBSG-RGVLZGJSSA-N 0 0 388.252 5.150 40 30 GKEBRN O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC000059461454 570654605 /nfs/dbraw/zinc/65/46/05/570654605.db2.gz UZUXUFUGUOMMSG-UHFFFAOYSA-N 0 0 376.283 5.869 40 30 GKEBRN Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)c(Cl)c1 ZINC000059461327 570654643 /nfs/dbraw/zinc/65/46/43/570654643.db2.gz BYHMDPNBWWCVOH-CZNNXAQKSA-N 0 0 391.279 6.184 40 30 GKEBRN Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000059471641 570654648 /nfs/dbraw/zinc/65/46/48/570654648.db2.gz KELVDCOUUNGIGF-FCLXTIGESA-N 0 0 384.910 6.917 40 30 GKEBRN Cc1cccc(/N=C2/c3ccccc3N(Cc3cccc4ccccc43)C2=O)c1 ZINC000059461414 570654657 /nfs/dbraw/zinc/65/46/57/570654657.db2.gz RFNOOLLJHZWUFB-RFBIWTDZSA-N 0 0 376.459 5.816 40 30 GKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463680 570654670 /nfs/dbraw/zinc/65/46/70/570654670.db2.gz IOVPVVORORHKHX-BUVRLJJBSA-N 0 0 399.475 6.444 40 30 GKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N/c2cc(C)cc(C)c2)NC1=O ZINC000059426761 570656773 /nfs/dbraw/zinc/65/67/73/570656773.db2.gz HTXVPUFKBPTGNJ-FYJGNVAPSA-N 0 0 388.492 5.357 40 30 GKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)cc2)NC1=O ZINC000059433532 570656900 /nfs/dbraw/zinc/65/69/00/570656900.db2.gz NWAWYFBNOKIBAK-STZFKDTASA-N 0 0 388.492 5.439 40 30 GKEBRN COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(OC)c1OC ZINC000005019384 570657590 /nfs/dbraw/zinc/65/75/90/570657590.db2.gz DJGMRHSEWBIBJZ-DNTJNYDQSA-N 0 0 389.666 5.119 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc4ccccc4c3)cc1)C2 ZINC000059501494 570659605 /nfs/dbraw/zinc/65/96/05/570659605.db2.gz SAGSZHAQLWEMQJ-LQKURTRISA-N 0 0 376.503 6.727 40 30 GKEBRN Clc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)cc1 ZINC000059503445 570659954 /nfs/dbraw/zinc/65/99/54/570659954.db2.gz OUJQVKWPCGUUKR-DJKKODMXSA-N 0 0 392.709 5.672 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc4c(c3)OCO4)c1)C2 ZINC000059503645 570659990 /nfs/dbraw/zinc/65/99/90/570659990.db2.gz BTJVYXCFDRLDOW-SOFGYWHQSA-N 0 0 397.474 5.448 40 30 GKEBRN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503514 570660063 /nfs/dbraw/zinc/66/00/63/570660063.db2.gz GMJFHAKLPJXKCR-SHSCQTOKSA-N 0 0 395.487 5.977 40 30 GKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc1 ZINC000059720341 570661346 /nfs/dbraw/zinc/66/13/46/570661346.db2.gz VBRVJHHYGPUKBY-HZHRSRAPSA-N 0 0 385.529 5.733 40 30 GKEBRN COc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c32)cc1OC ZINC000005586889 570662067 /nfs/dbraw/zinc/66/20/67/570662067.db2.gz UTCIQHKKNXUQKQ-UHFFFAOYSA-N 0 0 393.493 5.163 40 30 GKEBRN CSc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000012466485 570671861 /nfs/dbraw/zinc/67/18/61/570671861.db2.gz RONMMIBOTPNRTD-OCKHKDLRSA-N 0 0 395.340 5.145 40 30 GKEBRN CCC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(OC(F)F)cc1 ZINC000012525020 570675999 /nfs/dbraw/zinc/67/59/99/570675999.db2.gz MUHJGAZDKNXFEJ-LFVJCYFKSA-N 0 0 375.806 5.716 40 30 GKEBRN Cc1c(C#N)c(NC(=O)c2ccccc2)sc1C(=O)Nc1cccc(C)c1C ZINC000000872092 570679156 /nfs/dbraw/zinc/67/91/56/570679156.db2.gz MOCRQUCARSBEDX-UHFFFAOYSA-N 0 0 389.480 5.050 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000408776510 570682267 /nfs/dbraw/zinc/68/22/67/570682267.db2.gz PICIPKHZONRYML-KSEXSDGBSA-N 0 0 377.702 6.805 40 30 GKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1C ZINC000408772250 570682311 /nfs/dbraw/zinc/68/23/11/570682311.db2.gz NEJNZESUXLRDBC-YACCPEJUSA-N 0 0 387.508 5.451 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)c(C)c1 ZINC000408934194 570686930 /nfs/dbraw/zinc/68/69/30/570686930.db2.gz LPZVPQOOXWOKPK-CVKSISIWSA-N 0 0 388.511 6.063 40 30 GKEBRN Fc1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408932676 570687383 /nfs/dbraw/zinc/68/73/83/570687383.db2.gz DMIRZUOCOXXKQY-ZMFRSBBQSA-N 0 0 388.364 5.870 40 30 GKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 ZINC000408990973 570689623 /nfs/dbraw/zinc/68/96/23/570689623.db2.gz XGIQNGAXBZBYIG-OYKKKHCWSA-N 0 0 384.520 5.579 40 30 GKEBRN Cc1cc(C)c(COc2ccc(C=C3C(=O)CC(C)(C)CC3=O)cc2)c(C)c1 ZINC000408993595 570691945 /nfs/dbraw/zinc/69/19/45/570691945.db2.gz WQFUDWOCPOUVNH-UHFFFAOYSA-N 0 0 376.496 5.532 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409010808 570693195 /nfs/dbraw/zinc/69/31/95/570693195.db2.gz LOBQJBDPLCDGHV-PFRBSUFTSA-N 0 0 381.317 6.504 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000409010519 570693213 /nfs/dbraw/zinc/69/32/13/570693213.db2.gz FHNADXQKKZDZMB-WQRHYEAKSA-N 0 0 398.846 5.631 40 30 GKEBRN C=CCOc1ccc(Br)cc1/C=C1\Sc2ccccc2NC1=O ZINC000409102699 570699479 /nfs/dbraw/zinc/69/94/79/570699479.db2.gz TUGKQGPKDUKOQG-BOPFTXTBSA-N 0 0 388.286 5.099 40 30 GKEBRN Oc1ccccc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000001021294 570711646 /nfs/dbraw/zinc/71/16/46/570711646.db2.gz XOVOCXRWJGACKI-FSJBWODESA-N 0 0 382.250 5.764 40 30 GKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CCCC2 ZINC000001231419 570714164 /nfs/dbraw/zinc/71/41/64/570714164.db2.gz BRZPFQYKVABLJF-WSDLNYQXSA-N 0 0 377.425 5.417 40 30 GKEBRN S=C(N=NCc1cccc(OCc2ccccc2Cl)c1)Nc1ccccc1 ZINC000001969625 570718760 /nfs/dbraw/zinc/71/87/60/570718760.db2.gz SNVYIQNIDUCMNP-OEAKJJBVSA-N 0 0 395.915 5.651 40 30 GKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 ZINC000005337708 570732251 /nfs/dbraw/zinc/73/22/51/570732251.db2.gz QNKUYWSGQXXETI-NWVZELPRSA-N 0 0 380.491 6.278 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000105043221 570733169 /nfs/dbraw/zinc/73/31/69/570733169.db2.gz GQUJCFNBPKYHJR-PGMHBOJBSA-N 0 0 397.902 6.034 40 30 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ZINC000408619071 231082490 /nfs/dbraw/zinc/08/24/90/231082490.db2.gz FVPAOVFQAITMND-ZRDIBKRKSA-N 0 0 394.312 6.061 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408691766 231094963 /nfs/dbraw/zinc/09/49/63/231094963.db2.gz PIJYTAXVLUMDKV-AWNIVKPZSA-N 0 0 397.301 6.777 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc3ccccc32)cc1 ZINC000408691539 231095177 /nfs/dbraw/zinc/09/51/77/231095177.db2.gz CVGCCFPHPFYHKD-ISLYRVAYSA-N 0 0 378.471 6.623 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2cc(Br)c(C)c(Br)c2)cc1 ZINC000408691504 231095518 /nfs/dbraw/zinc/09/55/18/231095518.db2.gz AZJPLEORXYCIOU-VMPITWQZSA-N 0 0 394.106 5.725 40 30 GKEBRN CCn1c2ccccc2nc1NN=Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000408692042 231095597 /nfs/dbraw/zinc/09/55/97/231095597.db2.gz CAUIUGJRBRUCCF-PCLIKHOPSA-N 0 0 384.483 5.390 40 30 GKEBRN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c1 ZINC000408721338 231104493 /nfs/dbraw/zinc/10/44/93/231104493.db2.gz PGTAZZSCKZOQNV-OEAKJJBVSA-N 0 0 398.378 5.513 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718021 231104787 /nfs/dbraw/zinc/10/47/87/231104787.db2.gz CGZUDBAUWJAPDE-MFKUBSTISA-N 0 0 378.435 5.944 40 30 GKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Cl)cc3Cl)nc1-2 ZINC000408723620 231105559 /nfs/dbraw/zinc/10/55/59/231105559.db2.gz YESVROZBIARRQS-ODCIPOBUSA-N 0 0 391.279 5.769 40 30 GKEBRN O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000408723626 231105767 /nfs/dbraw/zinc/10/57/67/231105767.db2.gz YIJBPUWCKQVONE-ATJXCDBQSA-N 0 0 394.814 5.052 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 ZINC000408622530 231084571 /nfs/dbraw/zinc/08/45/71/231084571.db2.gz PVJGCXLQOBOJDX-NTCAYCPXSA-N 0 0 387.479 5.555 40 30 GKEBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c1 ZINC000408623469 231084961 /nfs/dbraw/zinc/08/49/61/231084961.db2.gz UMIRZVYGSLDELI-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C ZINC000408629152 231089893 /nfs/dbraw/zinc/08/98/93/231089893.db2.gz MKGTYFSHYDOMPF-INIZCTEOSA-N 0 0 396.556 5.405 40 30 GKEBRN Cc1sc(/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C#N)c1C ZINC000408818207 231118618 /nfs/dbraw/zinc/11/86/18/231118618.db2.gz PFAOTJWDOAYOND-UVHMKAGCSA-N 0 0 394.503 5.862 40 30 GKEBRN Cc1cc(C=NNc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408845541 231120500 /nfs/dbraw/zinc/12/05/00/231120500.db2.gz HQWZIWXWJURVGI-MXAYSNPKSA-N 0 0 399.321 6.635 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(O)cc2)sc2c1CCCC2 ZINC000408846873 231120931 /nfs/dbraw/zinc/12/09/31/231120931.db2.gz LIFGVVUUANUTCK-UCQKPKSFSA-N 0 0 376.481 5.335 40 30 GKEBRN O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408852835 231121535 /nfs/dbraw/zinc/12/15/35/231121535.db2.gz JDXMNFSNPKAPPH-KKDTZRSPSA-N 0 0 381.476 5.157 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C\c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000408851808 231121570 /nfs/dbraw/zinc/12/15/70/231121570.db2.gz AAXOTQNBCAOUCN-XHPQRKPJSA-N 0 0 386.495 6.228 40 30 GKEBRN O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408875252 231123387 /nfs/dbraw/zinc/12/33/87/231123387.db2.gz ICXUQLHSMKEZER-WELATPIXSA-N 0 0 380.488 5.762 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408889065 231124803 /nfs/dbraw/zinc/12/48/03/231124803.db2.gz DFDLPMHMISLIOM-HAHDFKILSA-N 0 0 394.499 6.193 40 30 GKEBRN O=C1/C(=C\c2ccc(F)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408908326 231128252 /nfs/dbraw/zinc/12/82/52/231128252.db2.gz RLTRORTVWGNWME-DBSKITMISA-N 0 0 388.467 5.630 40 30 GKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000408907029 231128442 /nfs/dbraw/zinc/12/84/42/231128442.db2.gz FZRYRBCDSOEIEM-BVTQQKMGSA-N 0 0 398.531 6.360 40 30 GKEBRN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1 ZINC000408908797 231129047 /nfs/dbraw/zinc/12/90/47/231129047.db2.gz DEYBEZRATKSOBC-IWIPYMOSSA-N 0 0 384.439 5.352 40 30 GKEBRN O=[N+]([O-])c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)ccc1Cl ZINC000408735739 231107520 /nfs/dbraw/zinc/10/75/20/231107520.db2.gz WIQWKXNEDWUTIR-KEBDBYFISA-N 0 0 398.831 5.564 40 30 GKEBRN COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(OC)c1 ZINC000408737433 231108345 /nfs/dbraw/zinc/10/83/45/231108345.db2.gz QLKKDGALNFEMHQ-KOEQRZSOSA-N 0 0 383.451 5.307 40 30 GKEBRN Cc1ccc(-c2csc(N=NCc3ccc(N(C)c4ccccc4)cc3)n2)cc1 ZINC000408737405 231108458 /nfs/dbraw/zinc/10/84/58/231108458.db2.gz PCSIYCJWFVSRCN-PCLIKHOPSA-N 0 0 398.535 6.332 40 30 GKEBRN N#Cc1ccccc1COc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000408741097 231109446 /nfs/dbraw/zinc/10/94/46/231109446.db2.gz KDIKGSLJOJIUML-WGOQTCKBSA-N 0 0 378.435 5.131 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408738926 231109518 /nfs/dbraw/zinc/10/95/18/231109518.db2.gz QENRCMUYCNMHAP-OEAKJJBVSA-N 0 0 396.332 5.673 40 30 GKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740016 231109615 /nfs/dbraw/zinc/10/96/15/231109615.db2.gz HQHPDPIKEFHUHU-OEAKJJBVSA-N 0 0 376.460 5.127 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408753699 231111808 /nfs/dbraw/zinc/11/18/08/231111808.db2.gz KJXVOVAZNNFUKD-QNGOZBTKSA-N 0 0 386.476 5.679 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000408764432 231113099 /nfs/dbraw/zinc/11/30/99/231113099.db2.gz IPKHIWOFINJXJX-OVVQPSECSA-N 0 0 379.507 6.897 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)cc1 ZINC000408961825 231135845 /nfs/dbraw/zinc/13/58/45/231135845.db2.gz OGWZNSDVRFPPRE-XDHOZWIPSA-N 0 0 378.428 5.286 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1C ZINC000408962238 231136251 /nfs/dbraw/zinc/13/62/51/231136251.db2.gz XNMMTLNBSRGDAM-QNGOZBTKSA-N 0 0 391.540 5.185 40 30 GKEBRN Oc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1I ZINC000408963698 231137510 /nfs/dbraw/zinc/13/75/10/231137510.db2.gz OOJDXPROAAFXNU-IDUWFGFVSA-N 0 0 392.023 5.054 40 30 GKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3)sc2-c2ccccc2)cc1C ZINC000408974168 231139177 /nfs/dbraw/zinc/13/91/77/231139177.db2.gz CYRNKSYZYBRFJZ-PCLIKHOPSA-N 0 0 383.520 6.540 40 30 GKEBRN COc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408974263 231139581 /nfs/dbraw/zinc/13/95/81/231139581.db2.gz DQNTYYWINRTJHG-FSJBWODESA-N 0 0 385.379 5.502 40 30 GKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408976133 231140082 /nfs/dbraw/zinc/14/00/82/231140082.db2.gz PMDWHBRYXXFGIA-WGOQTCKBSA-N 0 0 397.547 6.848 40 30 GKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccccc2)cc1 ZINC000408976627 231140191 /nfs/dbraw/zinc/14/01/91/231140191.db2.gz BIIUSJGTPFHVJC-UHFFFAOYSA-N 0 0 377.447 5.279 40 30 GKEBRN O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000408977402 231140318 /nfs/dbraw/zinc/14/03/18/231140318.db2.gz IRVWHCBMQUNEQW-OEAKJJBVSA-N 0 0 391.496 6.517 40 30 GKEBRN Clc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000408975813 231140406 /nfs/dbraw/zinc/14/04/06/231140406.db2.gz NVUYTMARSGKJMY-FOKLQQMPSA-N 0 0 389.798 6.147 40 30 GKEBRN COc1ccccc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408978207 231141342 /nfs/dbraw/zinc/14/13/42/231141342.db2.gz LGALKPQNWSIFOJ-BUVRLJJBSA-N 0 0 376.525 6.617 40 30 GKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408980807 231141432 /nfs/dbraw/zinc/14/14/32/231141432.db2.gz XVUVCVYDHYLWCB-BUVRLJJBSA-N 0 0 376.525 6.617 40 30 GKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccccc1OCc1ccccc1 ZINC000408979278 231141509 /nfs/dbraw/zinc/14/15/09/231141509.db2.gz LZJWNQFUTWGXHB-UHFFFAOYSA-N 0 0 377.447 5.279 40 30 GKEBRN Cc1cccc(Cn2cc(C=C3C(=O)c4ccccc4C3=O)c3ccccc32)c1 ZINC000409000132 231145022 /nfs/dbraw/zinc/14/50/22/231145022.db2.gz MPSWUVDDMKLQIZ-UHFFFAOYSA-N 0 0 377.443 5.461 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c1 ZINC000409014777 231146477 /nfs/dbraw/zinc/14/64/77/231146477.db2.gz JJESAIAGDPKUBY-NDENLUEZSA-N 0 0 385.448 5.018 40 30 GKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000409015403 231146522 /nfs/dbraw/zinc/14/65/22/231146522.db2.gz MWVYUTAPNFQDTK-NDENLUEZSA-N 0 0 386.432 5.055 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)S2)cc1C ZINC000409015904 231147237 /nfs/dbraw/zinc/14/72/37/231147237.db2.gz CIEKLQJXMBMQGP-NDENLUEZSA-N 0 0 392.455 5.594 40 30 GKEBRN Cc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000409021150 231148031 /nfs/dbraw/zinc/14/80/31/231148031.db2.gz YIFKJRBRAFKBNH-NDENLUEZSA-N 0 0 384.233 5.207 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)S2)cc1 ZINC000409021126 231148159 /nfs/dbraw/zinc/14/81/59/231148159.db2.gz YESPVJCVRIPHHP-UNOMPAQXSA-N 0 0 378.428 5.286 40 30 GKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c2n1C(C)C ZINC000409029473 231149269 /nfs/dbraw/zinc/14/92/69/231149269.db2.gz AFKLYMNLUCNFAX-WPWMEQJKSA-N 0 0 383.539 6.523 40 30 GKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c2n1C(C)C ZINC000409050616 231151419 /nfs/dbraw/zinc/15/14/19/231151419.db2.gz XUTFRVYRVXPWSR-JAHAZDFLSA-N 0 0 397.338 5.553 40 30 GKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1Br ZINC000408914606 231130530 /nfs/dbraw/zinc/13/05/30/231130530.db2.gz RDPAAKZCMZZFIB-SSDVNMTOSA-N 0 0 397.272 5.336 40 30 GKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408914283 231130707 /nfs/dbraw/zinc/13/07/07/231130707.db2.gz PCAMBQDWKNVZAN-LSHDLFTRSA-N 0 0 397.818 5.135 40 30 GKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000408918674 231131464 /nfs/dbraw/zinc/13/14/64/231131464.db2.gz NOUNTYIJOJPSHL-BRJLIKDPSA-N 0 0 394.858 5.760 40 30 GKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1 ZINC000408931464 231133377 /nfs/dbraw/zinc/13/33/77/231133377.db2.gz MBEOOJHWNDFRGF-OGLMXYFKSA-N 0 0 390.408 6.914 40 30 GKEBRN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1Br ZINC000408950211 231134093 /nfs/dbraw/zinc/13/40/93/231134093.db2.gz GPWYPBIKOTTZQO-CMDGGOBGSA-N 0 0 395.094 5.329 40 30 GKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)c1 ZINC000408942203 231134273 /nfs/dbraw/zinc/13/42/73/231134273.db2.gz WRPNHUKPHDASKG-MYKKPKGFSA-N 0 0 383.200 6.554 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1 ZINC000409115012 231164565 /nfs/dbraw/zinc/16/45/65/231164565.db2.gz GMJXTKHQKYHALN-MTJSOVHGSA-N 0 0 378.457 5.212 40 30 GKEBRN Cc1cc(C)nc(Sc2ccc(/C=N\c3cccc(Cl)c3)cc2[N+](=O)[O-])n1 ZINC000409121677 231166042 /nfs/dbraw/zinc/16/60/42/231166042.db2.gz ZBJVJRWAQUKVFZ-NHDPSOOVSA-N 0 0 398.875 5.557 40 30 GKEBRN Cc1cc(C)nc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)n1 ZINC000409140649 231170312 /nfs/dbraw/zinc/17/03/12/231170312.db2.gz LCGCZXOXTDEBOK-SSDVNMTOSA-N 0 0 394.525 5.400 40 30 GKEBRN Fc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1N1CCOCC1 ZINC000409147193 231171730 /nfs/dbraw/zinc/17/17/30/231171730.db2.gz VMBFBNFEZGYNDR-KOEQRZSOSA-N 0 0 375.447 5.157 40 30 GKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000409061310 231153432 /nfs/dbraw/zinc/15/34/32/231153432.db2.gz ZDOAVLNDAKTWDU-FMQUCBEESA-N 0 0 391.470 6.954 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 ZINC000409067930 231154005 /nfs/dbraw/zinc/15/40/05/231154005.db2.gz DVKOBBZSNLMYRM-YZSQISJMSA-N 0 0 390.458 5.977 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409073392 231154745 /nfs/dbraw/zinc/15/47/45/231154745.db2.gz HIYSTPLPSPKZET-UKWGHVSLSA-N 0 0 377.187 5.003 40 30 GKEBRN COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc12 ZINC000409093567 231158281 /nfs/dbraw/zinc/15/82/81/231158281.db2.gz ASVNADVVKFQTSE-FOKLQQMPSA-N 0 0 389.333 5.221 40 30 GKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000409090019 231158310 /nfs/dbraw/zinc/15/83/10/231158310.db2.gz OCHRMUPXXCWJBG-CHOFVFFHSA-N 0 0 397.500 5.438 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409095150 231159078 /nfs/dbraw/zinc/15/90/78/231159078.db2.gz GYQGSMNTALKOBX-UKWGHVSLSA-N 0 0 377.187 5.003 40 30 GKEBRN Fc1ccccc1COc1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409096550 231159267 /nfs/dbraw/zinc/15/92/67/231159267.db2.gz LJVQIWCCDGEFNI-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000409100464 231159855 /nfs/dbraw/zinc/15/98/55/231159855.db2.gz NQZFCBIAOLTXPM-FOCLMDBBSA-N 0 0 375.424 5.305 40 30 GKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409101454 231160557 /nfs/dbraw/zinc/16/05/57/231160557.db2.gz XTTYLPKXCJNKDE-LPYMAVHISA-N 0 0 382.803 5.800 40 30 GKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)o1 ZINC000409100846 231160641 /nfs/dbraw/zinc/16/06/41/231160641.db2.gz WWSJJQYBUCARBW-RMORIDSASA-N 0 0 390.321 5.023 40 30 GKEBRN Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl ZINC000409105276 231161502 /nfs/dbraw/zinc/16/15/02/231161502.db2.gz LZQMUMVUCMVVRO-FSJBWODESA-N 0 0 376.283 7.034 40 30 GKEBRN Cc1ccc(Sc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000409108521 231162661 /nfs/dbraw/zinc/16/26/61/231162661.db2.gz WLMZYSUIJOVOII-FOKLQQMPSA-N 0 0 377.391 5.599 40 30 GKEBRN O=C(C=CNc1ccc(Br)c(Cl)c1)c1cccc2ccccc21 ZINC000409179635 231175048 /nfs/dbraw/zinc/17/50/48/231175048.db2.gz SEEIWQOWGCKCKM-ZHACJKMWSA-N 0 0 386.676 6.064 40 30 GKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1cccc2ccccc21 ZINC000409183236 231176782 /nfs/dbraw/zinc/17/67/82/231176782.db2.gz SWRNXBHCBUYFON-WUKNDPDISA-N 0 0 399.877 7.094 40 30 GKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 ZINC000409200952 231179552 /nfs/dbraw/zinc/17/95/52/231179552.db2.gz KPSGCTRRDOBAHE-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1 ZINC000409207812 231180115 /nfs/dbraw/zinc/18/01/15/231180115.db2.gz ALGZOYFOPMVLHW-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000409208182 231180685 /nfs/dbraw/zinc/18/06/85/231180685.db2.gz BRBLMKBLVZQNIT-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)cc3C)c2)cc1 ZINC000409212180 231181053 /nfs/dbraw/zinc/18/10/53/231181053.db2.gz PVNLOXQMWKIQLA-HAHDFKILSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409211164 231181064 /nfs/dbraw/zinc/18/10/64/231181064.db2.gz MPXDPXJXBCGTFY-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 ZINC000409210555 231181076 /nfs/dbraw/zinc/18/10/76/231181076.db2.gz LJHAOKKTCWUWSH-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409211595 231181147 /nfs/dbraw/zinc/18/11/47/231181147.db2.gz LWTQEJPSYWNMLV-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)c1 ZINC000409212151 231181185 /nfs/dbraw/zinc/18/11/85/231181185.db2.gz POGCNPVINTYUBU-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN Fc1ccccc1COc1ccc(Br)cc1/C=N/c1ccccc1 ZINC000409217039 231182098 /nfs/dbraw/zinc/18/20/98/231182098.db2.gz QYZTXPGYXYYFNG-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000409214599 231182513 /nfs/dbraw/zinc/18/25/13/231182513.db2.gz YKWHUBNXKOJPDG-BKUYFWCQSA-N 0 0 377.356 5.354 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)o2)c(Br)c1 ZINC000409231463 231183967 /nfs/dbraw/zinc/18/39/67/231183967.db2.gz JEZHDHMJWSOGIW-NHDPSOOVSA-N 0 0 399.244 5.985 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc4ccccc4c3)o2)c(Br)c1 ZINC000409232861 231183994 /nfs/dbraw/zinc/18/39/94/231183994.db2.gz BXFWBVXTAYALPK-OYKKKHCWSA-N 0 0 390.280 6.921 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(C(C)C)cc3)o2)c(Br)c1 ZINC000409233138 231184480 /nfs/dbraw/zinc/18/44/80/231184480.db2.gz QUZLYLSTKQWIND-YDZHTSKRSA-N 0 0 382.301 6.892 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000409240009 231185900 /nfs/dbraw/zinc/18/59/00/231185900.db2.gz JAGOAUJVDUNHMK-ZXVVBBHZSA-N 0 0 394.543 7.640 40 30 GKEBRN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(C=NNc2ccccc2)o1 ZINC000409254062 231187909 /nfs/dbraw/zinc/18/79/09/231187909.db2.gz CQMZVADOKGVZSS-YBFXNURJSA-N 0 0 386.205 5.063 40 30 GKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)cc1 ZINC000409281024 231188468 /nfs/dbraw/zinc/18/84/68/231188468.db2.gz CKKHZEKIJHAPDS-UHFFFAOYSA-N 0 0 399.837 5.345 40 30 GKEBRN O=C(COc1ccc(/C=N/c2ccccc2)cc1Cl)Nc1ccccc1F ZINC000409370317 231196337 /nfs/dbraw/zinc/19/63/37/231196337.db2.gz OULADOMVDKCNGH-ZMOGYAJESA-N 0 0 382.822 5.247 40 30 GKEBRN CC[C@@H](C)n1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c21 ZINC000409033282 529437171 /nfs/dbraw/zinc/43/71/71/529437171.db2.gz KQUOAKILXBHVTK-CLCAUBNZSA-N 0 0 397.566 6.913 40 30 GKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409408040 231202111 /nfs/dbraw/zinc/20/21/11/231202111.db2.gz WORORQGKXHRNHE-UHFFFAOYSA-N 0 0 394.261 5.253 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408956033 529429848 /nfs/dbraw/zinc/42/98/48/529429848.db2.gz ZPFIJHCJTQDEHD-SVXRXWARSA-N 0 0 385.099 6.069 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(-c3ccccc3)cc2)c1C ZINC000408966654 529558514 /nfs/dbraw/zinc/55/85/14/529558514.db2.gz MUQHDRXOMZGHGW-TURZUDJPSA-N 0 0 378.519 7.074 40 30 GKEBRN CCc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)n2)cc1 ZINC000034953727 529573772 /nfs/dbraw/zinc/57/37/72/529573772.db2.gz VAMJURJGOZHHER-UHFFFAOYSA-N 0 0 378.273 5.194 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)N1C ZINC000408916128 529564080 /nfs/dbraw/zinc/56/40/80/529564080.db2.gz VBMRHGFKVAYGTJ-NFEGURHZSA-N 0 0 394.540 5.518 40 30 GKEBRN CCc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000409102029 529589530 /nfs/dbraw/zinc/58/95/30/529589530.db2.gz UMMRHZRIZVEYRC-FOCLMDBBSA-N 0 0 377.871 6.503 40 30 GKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408739367 529588704 /nfs/dbraw/zinc/58/87/04/529588704.db2.gz VXLPHUBISAPLSF-OEAKJJBVSA-N 0 0 381.317 6.170 40 30 GKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)cc1 ZINC000408962201 529664944 /nfs/dbraw/zinc/66/49/44/529664944.db2.gz XFGXTYGXGNXOGY-PGMHBOJBSA-N 0 0 391.540 5.131 40 30 GKEBRN CCc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000408628848 529695411 /nfs/dbraw/zinc/69/54/11/529695411.db2.gz DJHUYRWORWBOLR-INIZCTEOSA-N 0 0 396.556 5.351 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408907327 529695673 /nfs/dbraw/zinc/69/56/73/529695673.db2.gz BCNNYQMBPCNVJH-HWEIEWAYSA-N 0 0 380.513 5.406 40 30 GKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Br)c2)c1C ZINC000408842704 529733678 /nfs/dbraw/zinc/73/36/78/529733678.db2.gz CBBVUAKIEPMVMR-ZVHZXABRSA-N 0 0 395.344 6.478 40 30 GKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2C)c1C ZINC000408962190 529733760 /nfs/dbraw/zinc/73/37/60/529733760.db2.gz XBLQQPBFZHYDON-CVKSISIWSA-N 0 0 388.511 5.811 40 30 GKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)cc2)c1C ZINC000408853679 529733834 /nfs/dbraw/zinc/73/38/34/529733834.db2.gz WOCCNUQYVBAYKP-ZVHZXABRSA-N 0 0 395.344 6.478 40 30 GKEBRN CN(C)c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408981044 529774980 /nfs/dbraw/zinc/77/49/80/529774980.db2.gz YKYZFDOQLRAWBX-PCLIKHOPSA-N 0 0 389.568 6.674 40 30 GKEBRN CN(C)c1oc(/C=N/c2ccc(C3CCCCC3)cc2)cc1Br ZINC000408848790 529819431 /nfs/dbraw/zinc/81/94/31/529819431.db2.gz UICHDJOAHUKBRD-FYJGNVAPSA-N 0 0 375.310 5.906 40 30 GKEBRN COc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(OC)cc2)cc1 ZINC000016215772 210186769 /nfs/dbraw/zinc/18/67/69/210186769.db2.gz MUQKBOVPBCFTAS-ZGWMJANWSA-N 0 0 389.282 5.620 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C#N ZINC000225685177 222690315 /nfs/dbraw/zinc/69/03/15/222690315.db2.gz ZIAMSRSTGDGWMX-UHFFFAOYSA-N 0 0 396.918 5.841 40 30 GKEBRN Cn1c2ccccc2c(CN=Nc2nncc3ccccc32)c1-c1ccccc1 ZINC000006287731 209643533 /nfs/dbraw/zinc/64/35/33/209643533.db2.gz BSYQHRYPXFORGL-WGOQTCKBSA-N 0 0 377.451 5.235 40 30 GKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(Br)o1 ZINC000005376733 209591189 /nfs/dbraw/zinc/59/11/89/209591189.db2.gz ITHCBUQUTXPDDZ-XNTDXEJSSA-N 0 0 399.269 5.087 40 30 GKEBRN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000004680141 209510954 /nfs/dbraw/zinc/51/09/54/209510954.db2.gz ATPKCTQVDWCBLS-UWVJOHFNSA-N 0 0 383.691 5.076 40 30 GKEBRN Cc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 ZINC000002556113 209369238 /nfs/dbraw/zinc/36/92/38/209369238.db2.gz VJANAEOFJRSBFZ-VOTSOKGWSA-N 0 0 393.122 6.492 40 30 GKEBRN CN(C)c1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001440919 209328136 /nfs/dbraw/zinc/32/81/36/209328136.db2.gz NDBAKZANIFITTH-QHCPKHFHSA-N 0 0 397.522 5.501 40 30 GKEBRN CCc1ccc(C2=C(Cl)C(=O)C(c3ccc(CC)cc3)=C(Cl)C2=O)cc1 ZINC000001704427 212253390 /nfs/dbraw/zinc/25/33/90/212253390.db2.gz POVNHJIIGZJLCR-UHFFFAOYSA-N 0 0 385.290 5.563 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 ZINC000001435192 212244709 /nfs/dbraw/zinc/24/47/09/212244709.db2.gz CJDMIHDHXIIYQY-FOKLQQMPSA-N 0 0 395.777 5.946 40 30 GKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000820935 212186002 /nfs/dbraw/zinc/18/60/02/212186002.db2.gz YHDHJVYRFZIIGO-YBFXNURJSA-N 0 0 379.393 5.193 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219817255 212114223 /nfs/dbraw/zinc/11/42/23/212114223.db2.gz RDJCOVZKQKWMIV-LJQANCHMSA-N 0 0 394.584 5.692 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C)cc1 ZINC000001994178 212102151 /nfs/dbraw/zinc/10/21/51/212102151.db2.gz XCOOARJLJVADBR-UHFFFAOYSA-O 0 0 376.332 6.247 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000216406472 212103609 /nfs/dbraw/zinc/10/36/09/212103609.db2.gz UBMYVNBWNRJSLL-UHFFFAOYSA-N 0 0 384.479 5.066 40 30 GKEBRN CC(C)(C)[C@H]1N(C#Cc2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000005379759 212081997 /nfs/dbraw/zinc/08/19/97/212081997.db2.gz AOAYNIJFIGETMV-VWLOTQADSA-N 0 0 379.507 5.552 40 30 GKEBRN COc1cc(C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000011994206 212078127 /nfs/dbraw/zinc/07/81/27/212078127.db2.gz PIQLKWROQICQSX-UHFFFAOYSA-N 0 0 387.060 5.215 40 30 GKEBRN C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2CC)C1=O ZINC000005371417 203755857 /nfs/dbraw/zinc/75/58/57/203755857.db2.gz VPYSTFVEEHAGMJ-RGEXLXHISA-N 0 0 381.522 5.220 40 30 GKEBRN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000001428686 203909613 /nfs/dbraw/zinc/90/96/13/203909613.db2.gz ZFPLXJQHNFEJOP-NRFANRHFSA-N 0 0 382.891 5.571 40 30 GKEBRN COc1ccc(/C=N/c2ccc(-c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1 ZINC000004266010 204035937 /nfs/dbraw/zinc/03/59/37/204035937.db2.gz PJEKNWSZXDHRQF-UXNDTFEGSA-N 0 0 391.474 7.528 40 30 GKEBRN CSC(=Nc1ccc(-c2ccc(N=C(SC)SC)cc2)cc1)SC ZINC000004293390 204036540 /nfs/dbraw/zinc/03/65/40/204036540.db2.gz PBTAZZQLDACUDK-UHFFFAOYSA-N 0 0 392.640 6.781 40 30 GKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000004919743 204092397 /nfs/dbraw/zinc/09/23/97/204092397.db2.gz PSUJRZRJLLMSJN-GZIVZEMBSA-N 0 0 381.612 6.502 40 30 GKEBRN Cc1cccc(C)c1-n1nnnc1C1(/N=C/c2ccc(Cl)cc2)CCCCC1 ZINC000004414625 204044716 /nfs/dbraw/zinc/04/47/16/204044716.db2.gz ZSKNLQXBXONUHA-BUVRLJJBSA-N 0 0 393.922 5.211 40 30 GKEBRN COc1ccc([C@@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005203222 204119872 /nfs/dbraw/zinc/11/98/72/204119872.db2.gz YBGMYVSWZOKLOY-NRFANRHFSA-N 0 0 382.891 5.571 40 30 GKEBRN Cc1[nH]c(=S)c(C#N)c2c1[C@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 ZINC000005259345 204122435 /nfs/dbraw/zinc/12/24/35/204122435.db2.gz FTBSKEZGWHIGHJ-CCIVLXNRSA-N 0 0 394.584 5.262 40 30 GKEBRN O=C(O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccco1 ZINC000005716097 204148554 /nfs/dbraw/zinc/14/85/54/204148554.db2.gz OVEJKPNXFULDKP-SSDVNMTOSA-N 0 0 390.222 5.356 40 30 GKEBRN COc1ccc([C@H]2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005734459 204149267 /nfs/dbraw/zinc/14/92/67/204149267.db2.gz YBGMYVSWZOKLOY-OAQYLSRUSA-N 0 0 382.891 5.571 40 30 GKEBRN Cc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1C ZINC000035315971 204168478 /nfs/dbraw/zinc/16/84/78/204168478.db2.gz OQSIGVOYHWWBGH-UHFFFAOYSA-N 0 0 389.524 5.578 40 30 GKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 ZINC000005376561 204129268 /nfs/dbraw/zinc/12/92/68/204129268.db2.gz ZYSRVYQIFSIUDI-XDHOZWIPSA-N 0 0 394.883 5.800 40 30 GKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)c(C)c1 ZINC000008410587 204276666 /nfs/dbraw/zinc/27/66/66/204276666.db2.gz OPIHPFOUNLNBHS-PXNMLYILSA-N 0 0 377.296 5.502 40 30 GKEBRN C(#Cc1cnc2ccccc2c1)c1ccc(C#Cc2cnc3ccccc3c2)cc1 ZINC000005338602 209139631 /nfs/dbraw/zinc/13/96/31/209139631.db2.gz QKVLUQHHPFSPLU-UHFFFAOYSA-N 0 0 380.450 5.583 40 30 GKEBRN C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000005823279 209142358 /nfs/dbraw/zinc/14/23/58/209142358.db2.gz XXKXCRGLMFAXTK-NOWJHPSZSA-N 0 0 382.500 5.252 40 30 biogenic,in-vitro GKEBRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038722324 205037307 /nfs/dbraw/zinc/03/73/07/205037307.db2.gz WNUBDFJMQBMNQB-DXODLALXSA-N 0 0 378.940 5.407 40 30 GKEBRN CCn1cc(/C=C2/C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000006490217 209127845 /nfs/dbraw/zinc/12/78/45/209127845.db2.gz VFYSTCQWVDOPQD-RROWZALDSA-N 0 0 390.527 5.036 40 30 GKEBRN CCN(CC)c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc1 ZINC000006352860 205819446 /nfs/dbraw/zinc/81/94/46/205819446.db2.gz HFBIZSATLONXED-CPNJWEJPSA-N 0 0 399.947 5.386 40 30 GKEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 ZINC000225764479 206073980 /nfs/dbraw/zinc/07/39/80/206073980.db2.gz KLKPKIVXHYVAPA-UHFFFAOYSA-N 0 0 396.918 5.839 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N ZINC000225761384 206074248 /nfs/dbraw/zinc/07/42/48/206074248.db2.gz WMNVPNUDAXXDAP-UHFFFAOYSA-N 0 0 394.490 5.717 40 30 GKEBRN C[C@H]1CCc2c(C#N)c(/N=C/C(Br)=C/c3ccccc3)sc2C1 ZINC000005444538 211567520 /nfs/dbraw/zinc/56/75/20/211567520.db2.gz NJOWNWZHZWXHSL-KZOVBDCVSA-N 0 0 385.330 5.883 40 30 GKEBRN O=C(Nc1cccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccc(F)cc1 ZINC000003140527 211519617 /nfs/dbraw/zinc/51/96/17/211519617.db2.gz KRMWTDIKSRHMND-FSJBWODESA-N 0 0 397.793 5.390 40 30 GKEBRN COc1cc(Br)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1O ZINC000001508531 206385000 /nfs/dbraw/zinc/38/50/00/206385000.db2.gz JGYBTSKORNGCKZ-SSDVNMTOSA-N 0 0 382.257 5.166 40 30 GKEBRN CN(C)C(=O)SC1=C(c2c(Cl)cccc2Cl)C(=O)c2ccccc21 ZINC000001575813 206385968 /nfs/dbraw/zinc/38/59/68/206385968.db2.gz SQEJLJCVAKTETI-UHFFFAOYSA-N 0 0 378.280 5.473 40 30 GKEBRN COc1ccccc1[C@H]1CCCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001725325 206389731 /nfs/dbraw/zinc/38/97/31/206389731.db2.gz HIXCEEZJIGIVRB-IFMALSPDSA-N 0 0 388.529 5.216 40 30 GKEBRN O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000001719565 206389995 /nfs/dbraw/zinc/38/99/95/206389995.db2.gz OYJPHCIJQKVSSN-VPUSJEBWSA-N 0 0 386.494 6.748 40 30 GKEBRN N#CC1(Nc2ccc(-c3ccc(I)cc3)cc2)CCCC1 ZINC000001686512 206390620 /nfs/dbraw/zinc/39/06/20/206390620.db2.gz HFWPVFSZXUUNDD-UHFFFAOYSA-N 0 0 388.252 5.206 40 30 GKEBRN CN(C)c1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004235625 206508775 /nfs/dbraw/zinc/50/87/75/206508775.db2.gz SFGOOSWDDPIWLN-DEOSSOPVSA-N 0 0 396.534 6.106 40 30 GKEBRN COc1ccc(-c2c(C#N)c(SCc3ccccc3)nc3c2CCCC3)cc1 ZINC000004619414 206535310 /nfs/dbraw/zinc/53/53/10/206535310.db2.gz DYYZUDDZOBZOEO-UHFFFAOYSA-N 0 0 386.520 5.800 40 30 GKEBRN CCCCCC[C@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000005031725 206585038 /nfs/dbraw/zinc/58/50/38/206585038.db2.gz HRLITXPCTNOQNH-ZYPBBJIESA-N 0 0 394.562 7.320 40 30 GKEBRN COc1cc(C(=O)n2cc(C#N)c3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000226362019 211481405 /nfs/dbraw/zinc/48/14/05/211481405.db2.gz OBSFQEONIDIFOB-UHFFFAOYSA-N 0 0 396.446 5.098 40 30 GKEBRN N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCCC2 ZINC000005660492 206623746 /nfs/dbraw/zinc/62/37/46/206623746.db2.gz DFTHMTZCBCCXMA-UHFFFAOYSA-N 0 0 399.519 5.289 40 30 GKEBRN CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000100998483 211394942 /nfs/dbraw/zinc/39/49/42/211394942.db2.gz HLYDIVFXTLOWCG-UHFFFAOYSA-N 0 0 398.635 8.041 40 30 GKEBRN Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc(C)c1Cl ZINC000016269439 211217499 /nfs/dbraw/zinc/21/74/99/211217499.db2.gz MSFUULRYKMWHCB-UHFFFAOYSA-N 0 0 379.891 5.873 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(C)=O ZINC000014953244 207033079 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LETANHBDZYAJRF-FMIVXFBMSA-N 0 0 390.439 5.215 40 30 GKEBRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C#N)c1 ZINC000225682280 208967470 /nfs/dbraw/zinc/96/74/70/208967470.db2.gz DVPDBEHXASOIRU-UHFFFAOYSA-N 0 0 380.463 5.183 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 ZINC000225756174 208973063 /nfs/dbraw/zinc/97/30/63/208973063.db2.gz LBXDNODPNPDWKL-UHFFFAOYSA-N 0 0 376.500 5.578 40 30 GKEBRN CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C#N ZINC000225751137 208973664 /nfs/dbraw/zinc/97/36/64/208973664.db2.gz KIKVGSFBBASGJD-UHFFFAOYSA-N 0 0 396.918 5.697 40 30 GKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000002990488 220592859 /nfs/dbraw/zinc/59/28/59/220592859.db2.gz TVMLAQDLYWEGBD-FYJGNVAPSA-N 0 0 393.355 5.055 40 30 GKEBRN FC(F)(F)c1ccc(C(=Nc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003184480 220608332 /nfs/dbraw/zinc/60/83/32/220608332.db2.gz AMSPEPRIBOWIRU-UHFFFAOYSA-N 0 0 393.330 6.893 40 30 GKEBRN Cc1cc(Cl)cc(-n2nc(-c3ccc(Cl)cc3Cl)c(C#N)c2N)c1 ZINC000039955362 209093618 /nfs/dbraw/zinc/09/36/18/209093618.db2.gz WAZRGJUKNCMZHN-UHFFFAOYSA-N 0 0 377.662 5.262 40 30 GKEBRN Cn1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)c2ccccc21 ZINC000008417814 221040543 /nfs/dbraw/zinc/04/05/43/221040543.db2.gz MXIVRFZCMXZKNH-FYJGNVAPSA-N 0 0 383.476 5.223 40 30 GKEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(OC(C)C)cc2)S1 ZINC000008277548 221033945 /nfs/dbraw/zinc/03/39/45/221033945.db2.gz AMFLKLPLIXXGBG-WOJGMQOQSA-N 0 0 386.904 5.327 40 30 GKEBRN CCOc1ccc(/C=C/c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1 ZINC000008323929 221036737 /nfs/dbraw/zinc/03/67/37/221036737.db2.gz QDALTMMHWMXWCJ-FMIVXFBMSA-N 0 0 379.847 5.381 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]12 ZINC000009231972 221074634 /nfs/dbraw/zinc/07/46/34/221074634.db2.gz QYSXJUFSXHHAJI-JNGZTZEESA-N 0 0 384.648 7.619 40 30 GKEBRN Fc1cc(Br)cc(Cl)c1OC(F)(F)[C@@H](F)C(F)(F)F ZINC000016158581 221359252 /nfs/dbraw/zinc/35/92/52/221359252.db2.gz PUFFLGSHGUPXBD-ZETCQYMHSA-N 0 0 375.465 5.114 40 30 GKEBRN CN(C)/C=C(\C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000016958497 221374415 /nfs/dbraw/zinc/37/44/15/221374415.db2.gz AUNHDDKRLIDOBH-NCELDCMTSA-N 0 0 393.490 5.460 40 30 GKEBRN O=C(/N=C(\N=C(\c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 ZINC000018208701 221389690 /nfs/dbraw/zinc/38/96/90/221389690.db2.gz SYIHPIKZKVSORJ-AIBSEEBTSA-N 0 0 395.506 5.206 40 30 GKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Br)cc3)sc1CC2 ZINC000408722353 533240165 /nfs/dbraw/zinc/24/01/65/533240165.db2.gz HOAMTYIBTCJQJH-SRZZPIQSSA-N 0 0 399.313 5.430 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc12 ZINC000408912392 533240770 /nfs/dbraw/zinc/24/07/70/533240770.db2.gz QBVXFZIQDCSDOR-NFEGURHZSA-N 0 0 388.492 5.391 40 30 GKEBRN COc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1Cl ZINC000409017652 533251412 /nfs/dbraw/zinc/25/14/12/533251412.db2.gz GKDPYDCBAHCEKT-SRZZPIQSSA-N 0 0 394.348 6.965 40 30 GKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(C)cc1 ZINC000409336243 533475621 /nfs/dbraw/zinc/47/56/21/533475621.db2.gz RDCUKJPPDTVPHT-UCQKPKSFSA-N 0 0 388.488 5.912 40 30 GKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1F ZINC000409208369 533482841 /nfs/dbraw/zinc/48/28/41/533482841.db2.gz BCIFEXRGCOMCPI-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN COc1cc(C)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1C(C)C ZINC000408961517 533564562 /nfs/dbraw/zinc/56/45/62/533564562.db2.gz MUKKMSJSURLQQS-UDWIEESQSA-N 0 0 380.513 5.327 40 30 GKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1C(C)C ZINC000408858100 533564919 /nfs/dbraw/zinc/56/49/19/533564919.db2.gz JORSJUJRRWRFSH-ODLFYWEKSA-N 0 0 384.476 5.158 40 30 GKEBRN O/N=C1/CCCCCCCCCC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000100964707 136189338 /nfs/dbraw/zinc/18/93/38/136189338.db2.gz VWJRSVMGHLTASD-JZBNPYPUSA-N 0 0 375.532 5.061 40 30 GKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3cccc(OC)c3)cc2)c1 ZINC000409094238 533676387 /nfs/dbraw/zinc/67/63/87/533676387.db2.gz CMDCRKKPPVJBDQ-BUHFOSPRSA-N 0 0 375.424 5.305 40 30 GKEBRN Cc1c(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)c2ccccc2n1C ZINC000408817699 533700908 /nfs/dbraw/zinc/70/09/08/533700908.db2.gz MABUZBXVYYCUGK-HMAPJEAMSA-N 0 0 397.503 5.532 40 30 GKEBRN COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408739033 533833373 /nfs/dbraw/zinc/83/33/73/533833373.db2.gz RSMCMRUWZMEZBC-PXNMLYILSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408787293 533834584 /nfs/dbraw/zinc/83/45/84/533834584.db2.gz WQBUEPZGKQJRTD-WSDLNYQXSA-N 0 0 383.835 5.415 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409017191 533835816 /nfs/dbraw/zinc/83/58/16/533835816.db2.gz LGDLXIDUCVEHKV-SRZZPIQSSA-N 0 0 394.348 6.965 40 30 GKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409016283 533877235 /nfs/dbraw/zinc/87/72/35/533877235.db2.gz QSPLRCWOHZTNLS-SRZZPIQSSA-N 0 0 378.349 7.265 40 30 GKEBRN COC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1 ZINC000409065165 533944204 /nfs/dbraw/zinc/94/42/04/533944204.db2.gz DPTBPELFKJCMOV-CFRMEGHHSA-N 0 0 390.464 5.296 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 ZINC000408741851 533951037 /nfs/dbraw/zinc/95/10/37/533951037.db2.gz LMJVCQPGEMGSIR-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 ZINC000408741694 533951618 /nfs/dbraw/zinc/95/16/18/533951618.db2.gz KQAFPMBSPWMMGK-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 ZINC000408742361 533954309 /nfs/dbraw/zinc/95/43/09/533954309.db2.gz ONPAGFQPYLXKQD-OEAKJJBVSA-N 0 0 378.497 5.353 40 30 GKEBRN COC(=O)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409091618 533962099 /nfs/dbraw/zinc/96/20/99/533962099.db2.gz QOHYZDWHTVNBMX-ANDSAHIGSA-N 0 0 380.513 5.308 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409086595 533962402 /nfs/dbraw/zinc/96/24/02/533962402.db2.gz WCTWIPFYHZRZAP-CVKSISIWSA-N 0 0 389.495 5.397 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408968768 533962498 /nfs/dbraw/zinc/96/24/98/533962498.db2.gz YVRYGMCUNVFHMD-WGOQTCKBSA-N 0 0 388.511 5.929 40 30 GKEBRN COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000409109468 533964747 /nfs/dbraw/zinc/96/47/47/533964747.db2.gz FOIIPHKDINCJAY-HMAPJEAMSA-N 0 0 392.436 5.283 40 30 GKEBRN COC(=O)c1ccc(/N=C\c2c3cccc(OC)c3[nH]c2-c2ccccc2)cc1 ZINC000408839484 533965394 /nfs/dbraw/zinc/96/53/94/533965394.db2.gz SZYMJANJJNOYJW-MYYYXRDXSA-N 0 0 384.435 5.381 40 30 GKEBRN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1=Cc1ccc(N(C)C)cc1 ZINC000015057216 534008076 /nfs/dbraw/zinc/00/80/76/534008076.db2.gz CYKIYBXMPGLOSE-JAIQZWGSSA-N 0 0 395.528 5.418 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C(C)(C)C ZINC000409098990 534014339 /nfs/dbraw/zinc/01/43/39/534014339.db2.gz RXJSPMUQZMOQRK-LSHDLFTRSA-N 0 0 382.386 5.233 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(F)cc1 ZINC000408738105 534016767 /nfs/dbraw/zinc/01/67/67/534016767.db2.gz ODXWIPHIOOBXAO-FSJBWODESA-N 0 0 385.280 6.055 40 30 GKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968467 534016775 /nfs/dbraw/zinc/01/67/75/534016775.db2.gz ZBWMRBVUNWTJIW-LGJNPRDNSA-N 0 0 377.850 6.185 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738480 534016874 /nfs/dbraw/zinc/01/68/74/534016874.db2.gz YYTGMTTWXUUBBM-SSDVNMTOSA-N 0 0 388.254 6.060 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739275 534016893 /nfs/dbraw/zinc/01/68/93/534016893.db2.gz ASAHLWTXODLTQL-OEAKJJBVSA-N 0 0 396.332 5.673 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738023 534017140 /nfs/dbraw/zinc/01/71/40/534017140.db2.gz LWBBOUQCRVREJK-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116712 534017295 /nfs/dbraw/zinc/01/72/95/534017295.db2.gz GYZWOBYLUKBKIT-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000409244971 534051781 /nfs/dbraw/zinc/05/17/81/534051781.db2.gz LLXHUETUNZFUCX-BUVRLJJBSA-N 0 0 375.493 5.992 40 30 GKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000020762252 534078844 /nfs/dbraw/zinc/07/88/44/534078844.db2.gz FSWSGWHCUZMFGH-WPWMEQJKSA-N 0 0 396.490 5.551 40 30 GKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 ZINC000408906975 534103756 /nfs/dbraw/zinc/10/37/56/534103756.db2.gz FMDFTTVBIPEDLU-WYWWFWOASA-N 0 0 390.533 6.113 40 30 GKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000408905818 534105281 /nfs/dbraw/zinc/10/52/81/534105281.db2.gz FEYGPIKWSMHEKB-QMJKUAOYSA-N 0 0 384.504 6.052 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(Cl)c3)c3ccccc32)o1 ZINC000409393634 534165399 /nfs/dbraw/zinc/16/53/99/534165399.db2.gz RORUXKLNNUKFDC-WYMPLXKRSA-N 0 0 392.842 5.473 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3)c3ccccc32)o1 ZINC000409390272 534165467 /nfs/dbraw/zinc/16/54/67/534165467.db2.gz DULLQQSCNNPDDO-MSXFZWOLSA-N 0 0 392.842 5.473 40 30 GKEBRN COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000409092937 534225753 /nfs/dbraw/zinc/22/57/53/534225753.db2.gz XYQNHXSHHHTEOK-MMTYYTLLSA-N 0 0 382.529 5.539 40 30 GKEBRN COc1ccc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000409092935 534226370 /nfs/dbraw/zinc/22/63/70/534226370.db2.gz XYQNHXSHHHTEOK-GMJSKMFWSA-N 0 0 382.529 5.539 40 30 GKEBRN Cc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409363800 534235387 /nfs/dbraw/zinc/23/53/87/534235387.db2.gz VEPLTJIMIMHXGL-LQKURTRISA-N 0 0 392.458 6.558 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408866574 534248172 /nfs/dbraw/zinc/24/81/72/534248172.db2.gz HEZXUUVVKVTWGX-CXWSVMKBSA-N 0 0 390.552 6.178 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc32)cc1Cl ZINC000409212789 534251819 /nfs/dbraw/zinc/25/18/19/534251819.db2.gz RFBKCKQUWVUDDU-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2C(C)C)cc1 ZINC000408915933 534251848 /nfs/dbraw/zinc/25/18/48/534251848.db2.gz SBAZUUXMGAGNCM-DBSKITMISA-N 0 0 392.568 6.305 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C2CCCCC2)cc1 ZINC000408909807 534251949 /nfs/dbraw/zinc/25/19/49/534251949.db2.gz HMWQUEMBPFHDCR-NVZLDUMVSA-N 0 0 392.524 5.637 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C ZINC000409213053 534251966 /nfs/dbraw/zinc/25/19/66/534251966.db2.gz SAUNFCZDKYVNAT-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 ZINC000409111335 534252033 /nfs/dbraw/zinc/25/20/33/534252033.db2.gz IDIYYLAUQYNQCZ-XKZIYDEJSA-N 0 0 382.872 6.458 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409207829 534252104 /nfs/dbraw/zinc/25/21/04/534252104.db2.gz AVMCBZWTEKMTGN-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408914273 534252127 /nfs/dbraw/zinc/25/21/27/534252127.db2.gz NQOMSZHBHCCODX-LVCNHQDNSA-N 0 0 398.531 5.842 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C(C)C)cc1 ZINC000408912818 534252158 /nfs/dbraw/zinc/25/21/58/534252158.db2.gz LVZZWXXPLLDOPZ-NFEGURHZSA-N 0 0 378.541 6.131 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1 ZINC000059501501 534253003 /nfs/dbraw/zinc/25/30/03/534253003.db2.gz REIXVKOBZHBMPX-VULFUBBASA-N 0 0 384.479 5.361 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C)cc3C)c3ccccc32)c1 ZINC000408540752 534267267 /nfs/dbraw/zinc/26/72/67/534267267.db2.gz BNCSXFPMGHNDST-DICXZTSXSA-N 0 0 396.490 5.844 40 30 GKEBRN C#CCn1cc(CN(Cc2cccnc2)Cc2ccccc2F)c2ccccc21 ZINC000013569012 518345185 /nfs/dbraw/zinc/34/51/85/518345185.db2.gz AZEJXNLRHMPNFF-UHFFFAOYSA-N 0 0 383.470 5.011 40 30 GKEBRN C(=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000017142743 518379065 /nfs/dbraw/zinc/37/90/65/518379065.db2.gz OEHDEUIEMOJWIW-SZXQPVLSSA-N 0 0 379.528 6.746 40 30 GKEBRN C(=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1)\c1ccccc1 ZINC000018119212 518379341 /nfs/dbraw/zinc/37/93/41/518379341.db2.gz XPCLIJWBFYCJLR-VFCFBJKWSA-N 0 0 376.503 6.644 40 30 GKEBRN C(=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000104244757 518381221 /nfs/dbraw/zinc/38/12/21/518381221.db2.gz OEHDEUIEMOJWIW-MEFGMAGPSA-N 0 0 379.528 6.746 40 30 GKEBRN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000033678209 518451869 /nfs/dbraw/zinc/45/18/69/518451869.db2.gz IDDOMKWPPWDHTL-FMCGGJTJSA-N 0 0 379.382 5.747 40 30 GKEBRN CC(=Nc1c(Cl)c2c(c(Cl)c1Cl)-c1ccc(Cl)cc1C2=O)NO ZINC000017429281 518456517 /nfs/dbraw/zinc/45/65/17/518456517.db2.gz XLETYAJZBVWNAH-UHFFFAOYSA-N 0 0 390.053 5.540 40 30 GKEBRN C/C(=N\N=C(/C)c1ccc(C(C)(C)C)cc1N)c1ccc(C(C)(C)C)cc1N ZINC000015083085 518459286 /nfs/dbraw/zinc/45/92/86/518459286.db2.gz OXIJVUIDYKHELL-DPCVLPDWSA-N 0 0 378.564 5.679 40 30 GKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)o1 ZINC000004677301 518465589 /nfs/dbraw/zinc/46/55/89/518465589.db2.gz UIWFJTBMJAATAE-YBFXNURJSA-N 0 0 376.279 5.310 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C ZINC000100618321 518664022 /nfs/dbraw/zinc/66/40/22/518664022.db2.gz QYSXJUFSXHHAJI-CBVBCNMJSA-N 0 0 384.648 7.619 40 30 in-vitro GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12 ZINC000034293856 518665178 /nfs/dbraw/zinc/66/51/78/518665178.db2.gz MECHNRXZTMCUDQ-SHCQXJDLSA-N 0 0 396.659 7.641 40 30 GKEBRN C=CC(=O)N(c1ccccc1C)[C@H](C#N)c1ccccc1OCc1ccccc1 ZINC000016848748 518670749 /nfs/dbraw/zinc/67/07/49/518670749.db2.gz JLUXDAHKCTUXTD-HSZRJFAPSA-N 0 0 382.463 5.358 40 30 GKEBRN C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224706522 518802432 /nfs/dbraw/zinc/80/24/32/518802432.db2.gz VZPXHGLRNCFCLM-UHFFFAOYSA-N 0 0 376.692 5.028 40 30 GKEBRN C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 ZINC000225303890 519041716 /nfs/dbraw/zinc/04/17/16/519041716.db2.gz RTYVEYFAOBOPNE-UHFFFAOYSA-N 0 0 392.977 5.125 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1F ZINC000102962789 519148829 /nfs/dbraw/zinc/14/88/29/519148829.db2.gz PEPWPVLOKDTMPB-RELWKKBWSA-N 0 0 379.287 6.081 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C(=O)OCC)cc1 ZINC000028627941 519148938 /nfs/dbraw/zinc/14/89/38/519148938.db2.gz PAXHAZFTNSSBJA-LNVKXUELSA-N 0 0 398.915 5.465 40 30 GKEBRN C=CCn1c(SCc2cccc(F)c2)nnc1[C@H](C)Oc1ccc(C)cc1 ZINC000013866867 519243118 /nfs/dbraw/zinc/24/31/18/519243118.db2.gz BJORMEIHBJGBKK-INIZCTEOSA-N 0 0 383.492 5.344 40 30 GKEBRN CC(/C=C\C1=C(C)CCCC1(C)C)=N\N=C(C)/C=C\C1=C(C)CCCC1(C)C ZINC000017379441 519348610 /nfs/dbraw/zinc/34/86/10/519348610.db2.gz SQYSFXIDGKWUEA-GTJULLIQSA-N 0 0 380.620 7.989 40 30 GKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000020672544 519367755 /nfs/dbraw/zinc/36/77/55/519367755.db2.gz LGOSHUSDKBNNBA-HSZRJFAPSA-N 0 0 389.499 5.339 40 30 GKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC000072229777 519446166 /nfs/dbraw/zinc/44/61/66/519446166.db2.gz HTLDAYFGUDBPMZ-UHFFFAOYSA-N 0 0 380.517 5.654 40 30 GKEBRN CC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccccc1)cc2Cl ZINC000072229007 519446555 /nfs/dbraw/zinc/44/65/55/519446555.db2.gz WHGMOUDXFBMFQA-UHFFFAOYSA-N 0 0 393.299 5.663 40 30 GKEBRN Cc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1C ZINC000072228649 519446667 /nfs/dbraw/zinc/44/66/67/519446667.db2.gz LENVDWMCTIXFKO-UHFFFAOYSA-N 0 0 380.517 5.590 40 30 GKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000257345507 519648337 /nfs/dbraw/zinc/64/83/37/519648337.db2.gz XIWMRKFKSRYSIJ-ZWQVUBRMSA-N 0 0 382.632 7.373 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913780 519648473 /nfs/dbraw/zinc/64/84/73/519648473.db2.gz XIWMRKFKSRYSIJ-QAKPMDPSSA-N 0 0 382.632 7.373 40 30 in-vitro GKEBRN CC(C)CCN1c2ccccc2C(=NNc2ccnc3cc(Cl)ccc32)C1=O ZINC000102981257 519654247 /nfs/dbraw/zinc/65/42/47/519654247.db2.gz RDHJAGNSSKFHSS-QLYXXIJNSA-N 0 0 392.890 5.097 40 30 GKEBRN CC(=O)Nc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 ZINC000223618066 519709264 /nfs/dbraw/zinc/70/92/64/519709264.db2.gz QSAHNYHIDIZZIV-CMPFEXHJSA-N 0 0 391.559 6.205 40 30 GKEBRN CC(C)Oc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(OC(C)C)c1 ZINC000009195906 519778253 /nfs/dbraw/zinc/77/82/53/519778253.db2.gz MFFCHYHUOYTIIL-FOKLQQMPSA-N 0 0 395.330 5.692 40 30 GKEBRN CCCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C(=O)OC)cc1 ZINC000004832872 519861027 /nfs/dbraw/zinc/86/10/27/519861027.db2.gz DFBOZRVUGKPBDH-HXNIXJDOSA-N 0 0 381.461 5.392 40 30 GKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccccc1 ZINC000017106701 519946146 /nfs/dbraw/zinc/94/61/46/519946146.db2.gz RNOVUSNBUXKVQU-CHVJWYBTSA-N 0 0 375.343 7.445 40 30 GKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccccc1 ZINC000017106699 519948038 /nfs/dbraw/zinc/94/80/38/519948038.db2.gz RNOVUSNBUXKVQU-FAPFAGOTSA-N 0 0 375.343 7.445 40 30 GKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccccc1 ZINC000017106697 519948720 /nfs/dbraw/zinc/94/87/20/519948720.db2.gz RNOVUSNBUXKVQU-RHZUWNPPSA-N 0 0 375.343 7.445 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)OC ZINC000085922259 519967984 /nfs/dbraw/zinc/96/79/84/519967984.db2.gz AINIZSBLAFHZCP-ZHACJKMWSA-N 0 0 380.657 8.538 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOC(C)C ZINC000104109886 519968285 /nfs/dbraw/zinc/96/82/85/519968285.db2.gz QXRJLSIDXTWQBF-VAWYXSNFSA-N 0 0 381.645 6.955 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCC(C)C ZINC000080274257 519968908 /nfs/dbraw/zinc/96/89/08/519968908.db2.gz SAUIGQBKPDQYHL-VAWYXSNFSA-N 0 0 394.684 8.784 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC(C)C ZINC000080274253 519969704 /nfs/dbraw/zinc/96/97/04/519969704.db2.gz SAUIGQBKPDQYHL-QXMHVHEDSA-N 0 0 394.684 8.784 40 30 GKEBRN CCCCCCCCCC(=O)C[C@@H](CO)COC(=O)CCCCCCCCC ZINC000064858303 519976003 /nfs/dbraw/zinc/97/60/03/519976003.db2.gz MZMPYSXSCFDIIR-QFIPXVFZSA-N 0 0 398.628 6.379 40 30 in-vitro GKEBRN CCCCCCCCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100984566 519977633 /nfs/dbraw/zinc/97/76/33/519977633.db2.gz JUCVVJIFUDFZSU-UHFFFAOYSA-N 0 0 383.376 6.803 40 30 GKEBRN CCCCCCCCCCC/C(=N\NC(N)=S)c1c(O)ccc2ccccc21 ZINC000100166607 519982505 /nfs/dbraw/zinc/98/25/05/519982505.db2.gz NPKNEGOMLQLTSY-LKUDQCMESA-N 0 0 399.604 6.004 40 30 GKEBRN CCCCCCCCCCCCCCCCC/C(=N\O)c1ccc(Cl)cc1 ZINC000103846545 519990445 /nfs/dbraw/zinc/99/04/45/519990445.db2.gz CBFANXZBYHRDSV-SHHOIMCASA-N 0 0 394.043 8.780 40 30 GKEBRN CCCCCCCCCCCCCCCCC/C(=N/O)c1ccc(Cl)cc1 ZINC000095740464 519991286 /nfs/dbraw/zinc/99/12/86/519991286.db2.gz CBFANXZBYHRDSV-LCUIJRPUSA-N 0 0 394.043 8.780 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000095666215 519992651 /nfs/dbraw/zinc/99/26/51/519992651.db2.gz JAGHTVVPRGFHHE-UHFFFAOYSA-N 0 0 394.043 8.540 40 30 GKEBRN CCCCCCCCCCCCCCCCCCCC(=O)CO[C@H](O)CO ZINC000100503512 519993870 /nfs/dbraw/zinc/99/38/70/519993870.db2.gz GIISRQIHTLIGDA-QHCPKHFHSA-N 0 0 386.617 5.925 40 30 GKEBRN CCCCCCCCCCCCCCCCCCCC(=O)CO[C@@H](O)CO ZINC000100503513 519994239 /nfs/dbraw/zinc/99/42/39/519994239.db2.gz GIISRQIHTLIGDA-HSZRJFAPSA-N 0 0 386.617 5.925 40 30 GKEBRN CCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCC ZINC000103661154 520003178 /nfs/dbraw/zinc/00/31/78/520003178.db2.gz SQPREXYCBSQGDO-AREMUKBSSA-N 0 0 382.717 9.359 40 30 GKEBRN CCCCCCCCCCCCCCCC[C@H](O)c1ccc2ccccc2c1 ZINC000104096467 520004056 /nfs/dbraw/zinc/00/40/56/520004056.db2.gz MWDWWTGEGYWXPF-MHZLTWQESA-N 0 0 382.632 8.745 40 30 GKEBRN CCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@@H](O)c1ccccc1 ZINC000100550851 520005549 /nfs/dbraw/zinc/00/55/49/520005549.db2.gz OIVGXPSRTPKUPQ-VXKWHMMOSA-N 0 0 377.569 5.292 40 30 GKEBRN CCCCCCCCCCCC[NH2+][C@H](C)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000104083510 520010388 /nfs/dbraw/zinc/01/03/88/520010388.db2.gz UGZSECUAULSVSQ-GOSISDBHSA-N 0 0 385.548 5.777 40 30 GKEBRN CCCCCCCCCCCC[C@@](O)(CC)c1cccc(Br)c1 ZINC000101016680 520013652 /nfs/dbraw/zinc/01/36/52/520013652.db2.gz CJHRLGXJNXRGLT-NRFANRHFSA-N 0 0 383.414 7.358 40 30 GKEBRN CCCCCCCCCC[C@@H](C(=O)OCCCC)P(=O)(OCC)OCC ZINC000100301960 520024027 /nfs/dbraw/zinc/02/40/27/520024027.db2.gz DPMMIQOIKGZYCD-IBGZPJMESA-N 0 0 392.517 6.495 40 30 GKEBRN CCCCCCCCCC[C@H](C(=O)OCCCC)P(=O)(OCC)OCC ZINC000100301962 520025002 /nfs/dbraw/zinc/02/50/02/520025002.db2.gz DPMMIQOIKGZYCD-LJQANCHMSA-N 0 0 392.517 6.495 40 30 GKEBRN CCCCCCCCCCn1c(CSCc2ccccc2)nc2ccccc21 ZINC000101433850 520026700 /nfs/dbraw/zinc/02/67/00/520026700.db2.gz FHHFOMBVNRPOIO-UHFFFAOYSA-N 0 0 394.628 7.610 40 30 GKEBRN CCCCCCCCCCc1noc2c1/C(=N\O)C[C@@H](C[C@H](C)SCC)C2 ZINC000103007871 520027026 /nfs/dbraw/zinc/02/70/26/520027026.db2.gz KJKOMIKRFOOAEA-BKSSVATDSA-N 0 0 394.625 6.630 40 30 GKEBRN CCCCCCCCCCc1nc2c(o1)C[C@H](C[C@H](C)SCC)CC2=O ZINC000103007855 520027190 /nfs/dbraw/zinc/02/71/90/520027190.db2.gz XPMUBDVPBVNGDZ-ZWKOTPCHSA-N 0 0 379.610 6.635 40 30 GKEBRN CCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005029 520029904 /nfs/dbraw/zinc/02/99/04/520029904.db2.gz GHKUVSFROHHURM-QGOAFFKASA-N 0 0 394.511 6.247 40 30 GKEBRN CCCCCCCCOc1ccccc1-c1nnc(-c2cc(C)ccc2C)o1 ZINC000068569046 520044875 /nfs/dbraw/zinc/04/48/75/520044875.db2.gz VHJWKCGBJNIJOO-UHFFFAOYSA-N 0 0 378.516 6.760 40 30 GKEBRN CCCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213481 520045564 /nfs/dbraw/zinc/04/55/64/520045564.db2.gz HBBKXEBKTZSHIP-KQWNVCNZSA-N 0 0 398.597 7.205 40 30 GKEBRN CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)N1CCN(C)CC1 ZINC000104109787 520047724 /nfs/dbraw/zinc/04/77/24/520047724.db2.gz NSJGDYUFCVUWFO-YADHBBJMSA-N 0 0 380.617 5.009 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(Cl)c2)OC1=O ZINC000101387334 520063773 /nfs/dbraw/zinc/06/37/73/520063773.db2.gz SFRWWNJHFMEVIQ-SILNSSARSA-N 0 0 397.902 6.034 40 30 GKEBRN CCCCCCCOc1ccc(OC(=O)c2ccc(C)cc2)c(C#N)c1C#N ZINC000003064773 520064057 /nfs/dbraw/zinc/06/40/57/520064057.db2.gz RRAFAXRRWYPCNQ-UHFFFAOYSA-N 0 0 376.456 5.307 40 30 GKEBRN CCCCCCOc1ccc(/C=N/c2nc3ccc(CCCC)cc3s2)cc1 ZINC000100172436 520103985 /nfs/dbraw/zinc/10/39/85/520103985.db2.gz ALIDVJPZXTWYQL-XIEYBQDHSA-N 0 0 394.584 7.349 40 30 GKEBRN Fc1ccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409094551 534471751 /nfs/dbraw/zinc/47/17/51/534471751.db2.gz DRBUTSZYZXPIIU-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 ZINC000072229806 520184617 /nfs/dbraw/zinc/18/46/17/520184617.db2.gz VYSNAVPDBRJBJC-QFEZKATASA-N 0 0 394.544 6.044 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3OC)c(C)c2s1 ZINC000072228917 520184636 /nfs/dbraw/zinc/18/46/36/520184636.db2.gz OBFAJVZRMQNDEJ-CFRMEGHHSA-N 0 0 396.516 5.372 40 30 GKEBRN CCc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)cc1 ZINC000072228591 520185027 /nfs/dbraw/zinc/18/50/27/520185027.db2.gz WOZDFKNLAOHYDV-QFEZKATASA-N 0 0 394.544 5.926 40 30 GKEBRN CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccn1 ZINC000012661213 520209726 /nfs/dbraw/zinc/20/97/26/520209726.db2.gz MPOCIWOCVCOTQB-RNXBGYRRSA-N 0 0 384.508 5.081 40 30 GKEBRN CC1(C)CC(=O)C(C(c2cccc(F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000018028809 520252730 /nfs/dbraw/zinc/25/27/30/520252730.db2.gz GTBOSTQVIUMOFV-UHFFFAOYSA-N 0 0 386.463 5.312 40 30 GKEBRN CCCCC[C@@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000005031724 520273892 /nfs/dbraw/zinc/27/38/92/520273892.db2.gz GMIJPKCLNGTASU-RMTSEHLMSA-N 0 0 380.535 6.929 40 30 GKEBRN CCO/C=N/c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)cc1 ZINC000013410456 520389943 /nfs/dbraw/zinc/38/99/43/520389943.db2.gz JMRMBPJHROLJHN-ZMOGYAJESA-N 0 0 384.266 6.019 40 30 GKEBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CC(N=Nc1ccccc1)=NNc1ccccc1 ZINC000013403961 520682817 /nfs/dbraw/zinc/68/28/17/520682817.db2.gz IRSWEVIKRZNTFN-FTANRIATSA-N 0 0 386.499 6.148 40 30 GKEBRN Fc1cccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 ZINC000408957315 534513100 /nfs/dbraw/zinc/51/31/00/534513100.db2.gz UDFAXXQEGOXSNU-MFKUBSTISA-N 0 0 375.834 6.082 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(CC)cc1 ZINC000101764755 520803626 /nfs/dbraw/zinc/80/36/26/520803626.db2.gz QZKDXWGQRZSNSP-MEFNAMQOSA-N 0 0 376.500 5.401 40 30 GKEBRN CC1=C(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)=C(C)N1 ZINC000032599735 520827316 /nfs/dbraw/zinc/82/73/16/520827316.db2.gz AABPCKFWDKODQW-UHFFFAOYSA-N 0 0 393.486 5.687 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(/C=C(/C)C(=O)OCCC(C)C)cc2)cc1 ZINC000017917632 520854085 /nfs/dbraw/zinc/85/40/85/520854085.db2.gz XUALOKRPDKNKGC-LUWGDHOESA-N 0 0 379.500 5.829 40 30 GKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000100365607 520858062 /nfs/dbraw/zinc/85/80/62/520858062.db2.gz BJWJNDGHFDIWJL-MFKUBSTISA-N 0 0 379.431 5.563 40 30 GKEBRN CCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Cl)cc2Cl)cc1 ZINC000101662753 520873700 /nfs/dbraw/zinc/87/37/00/520873700.db2.gz AWGZNTHOKQXSFB-BOPFTXTBSA-N 0 0 390.266 5.517 40 30 GKEBRN CCOc1ccc(N2Cc3ccccc3/C2=N\C(=S)Nc2ccccc2)cc1 ZINC000102946692 521045266 /nfs/dbraw/zinc/04/52/66/521045266.db2.gz DITJCZLTLDFZBR-YYDJUVGSSA-N 0 0 387.508 5.249 40 30 GKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C#N)c1C ZINC000408919658 534535511 /nfs/dbraw/zinc/53/55/11/534535511.db2.gz ZVLICFRANJSOIG-OPEKNORGSA-N 0 0 399.277 6.405 40 30 GKEBRN Cc1oc(/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C#N)c1C ZINC000409177259 534535792 /nfs/dbraw/zinc/53/57/92/534535792.db2.gz FZHNUHFOYMDIQL-UVHMKAGCSA-N 0 0 378.435 5.393 40 30 GKEBRN CCOc1cccc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000000826438 521316302 /nfs/dbraw/zinc/31/63/02/521316302.db2.gz DRLYWMRQESUOSF-AFUMVMLFSA-N 0 0 386.451 5.967 40 30 GKEBRN CCOc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)c1 ZINC000072228688 521326059 /nfs/dbraw/zinc/32/60/59/521326059.db2.gz ARRUMZOZQKOEIZ-UHFFFAOYSA-N 0 0 396.516 5.372 40 30 GKEBRN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(O)cc4)c3c2C1 ZINC000036476350 521363861 /nfs/dbraw/zinc/36/38/61/521363861.db2.gz JYOOGSJNUSSGLU-WWPWHYENSA-N 0 0 394.544 5.384 40 30 GKEBRN CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(F)cc4)c3c2C1 ZINC000034106267 521364797 /nfs/dbraw/zinc/36/47/97/521364797.db2.gz JWXYOWBUMUDXNB-RNSPVEPZSA-N 0 0 396.535 5.818 40 30 GKEBRN CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(F)cc4)c3c2C1 ZINC000034106269 521366717 /nfs/dbraw/zinc/36/67/17/521366717.db2.gz JWXYOWBUMUDXNB-AQDQEMTMSA-N 0 0 396.535 5.818 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc21 ZINC000100210451 521422325 /nfs/dbraw/zinc/42/23/25/521422325.db2.gz ZPVWDUSWTISIBQ-BUVRLJJBSA-N 0 0 386.476 5.891 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/N=C\c3cccs3)cc2)nc2ccccc21 ZINC000004821861 521422849 /nfs/dbraw/zinc/42/28/49/521422849.db2.gz ZPVWDUSWTISIBQ-IWIPYMOSSA-N 0 0 386.476 5.891 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C ZINC000409217170 534578111 /nfs/dbraw/zinc/57/81/11/534578111.db2.gz SVQDQLOMYWEGPE-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1C ZINC000409210533 534578404 /nfs/dbraw/zinc/57/84/04/534578404.db2.gz KSSLLSVDNKPRFH-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C ZINC000409215268 534578799 /nfs/dbraw/zinc/57/87/99/534578799.db2.gz WLIJFFAVKGJHJD-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)c1C ZINC000409212030 534579619 /nfs/dbraw/zinc/57/96/19/534579619.db2.gz LKZUSNCNUKPLGP-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 ZINC000409374941 534579677 /nfs/dbraw/zinc/57/96/77/534579677.db2.gz BWTSLSQSXGMTME-MXAYSNPKSA-N 0 0 396.849 5.556 40 30 GKEBRN CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](/C=C/c2ccccc2)S1 ZINC000026896841 521695403 /nfs/dbraw/zinc/69/54/03/521695403.db2.gz LDGWAQHMLXJDEE-JKGDOXCYSA-N 0 0 380.534 5.622 40 30 GKEBRN CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000100233596 521698262 /nfs/dbraw/zinc/69/82/62/521698262.db2.gz ZSCAJMSZMULFPM-NFVLHAOASA-N 0 0 375.497 5.490 40 30 GKEBRN CN(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000033377775 522136172 /nfs/dbraw/zinc/13/61/72/522136172.db2.gz JGIIIUTVNJGISY-UFFVCSGVSA-N 0 0 391.327 5.629 40 30 GKEBRN O=C(COc1ccccc1/C=C1\Sc2ccccc2C1=O)Nc1ccccc1 ZINC000409349399 534636111 /nfs/dbraw/zinc/63/61/11/534636111.db2.gz PQDMLHJAHAYNQA-STZFKDTASA-N 0 0 387.460 5.034 40 30 GKEBRN Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(Cl)c1 ZINC000408845586 534636235 /nfs/dbraw/zinc/63/62/35/534636235.db2.gz HVFWLSFJLZVAHO-OCKHKDLRSA-N 0 0 388.092 5.700 40 30 GKEBRN Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1Cl ZINC000408806566 534636819 /nfs/dbraw/zinc/63/68/19/534636819.db2.gz AAEOVKPXDOKMAP-OCKHKDLRSA-N 0 0 388.092 5.700 40 30 GKEBRN Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1Cl ZINC000408851056 534636958 /nfs/dbraw/zinc/63/69/58/534636958.db2.gz VJHSLTBTSMZILK-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN Clc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408978223 534637216 /nfs/dbraw/zinc/63/72/16/534637216.db2.gz LKSHKPITLXIHRS-ZVHZXABRSA-N 0 0 380.944 7.262 40 30 GKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000098032977 534639267 /nfs/dbraw/zinc/63/92/67/534639267.db2.gz ROCZVFPCQCMNHX-QRVIBDJDSA-N 0 0 393.899 5.975 40 30 GKEBRN Clc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1Cl ZINC000408854818 534642412 /nfs/dbraw/zinc/64/24/12/534642412.db2.gz BUPWPUFUSLGKGP-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN Clc1ccccc1COc1cccc(C=NNc2nc3ccccc3[nH]2)c1 ZINC000409178771 534651302 /nfs/dbraw/zinc/65/13/02/534651302.db2.gz ONAHEEXDZKATHP-YDZHTSKRSA-N 0 0 376.847 5.241 40 30 GKEBRN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(Cl)c1 ZINC000101764569 523055596 /nfs/dbraw/zinc/05/55/96/523055596.db2.gz ABJUHDKDTPJXPZ-BZOSTUPMSA-N 0 0 382.891 5.410 40 30 GKEBRN N#CCOc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409153725 534697539 /nfs/dbraw/zinc/69/75/39/534697539.db2.gz MIJHOFIDMUWGSD-MDZRGWNJSA-N 0 0 381.273 5.178 40 30 GKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2ccccc21 ZINC000028182530 523309296 /nfs/dbraw/zinc/30/92/96/523309296.db2.gz CEFHGGGEVGQTHI-QFEZKATASA-N 0 0 395.458 5.856 40 30 GKEBRN COc1ccc(/C=C/C(=O)c2cccc(C(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000013402981 523402983 /nfs/dbraw/zinc/40/29/83/523402983.db2.gz IPABLGMAPCTPSM-VRNBXGKJSA-N 0 0 398.458 5.496 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Cl ZINC000017167327 523410666 /nfs/dbraw/zinc/41/06/66/523410666.db2.gz NJWCZZDKNXLHSL-LZYBPNLTSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1ccc(/C=C\C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1 ZINC000005732356 523435772 /nfs/dbraw/zinc/43/57/72/523435772.db2.gz OHGLCSVSLZEULT-XGICHPGQSA-N 0 0 395.440 5.008 40 30 GKEBRN COc1ccc(/C=N\c2ccc(/N=C\c3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000104227251 523461724 /nfs/dbraw/zinc/46/17/24/523461724.db2.gz KWCWSEUAQYYHCC-MQDDAKQZSA-N 0 0 378.859 5.858 40 30 GKEBRN N#CCc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000219837985 534724334 /nfs/dbraw/zinc/72/43/34/534724334.db2.gz NMSNELQNLAFHEF-UHFFFAOYSA-N 0 0 376.843 5.237 40 30 GKEBRN Nc1c(-c2ccc(F)cc2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 ZINC000225179733 534733757 /nfs/dbraw/zinc/73/37/57/534733757.db2.gz YTHHWWIDEKXKAP-UHFFFAOYSA-N 0 0 389.274 5.298 40 30 GKEBRN CCc1cc2c(cc1C(=O)/C=C\c1cccc3ccccc13)C(C)(C)CCC2(C)C ZINC000017023014 523845052 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O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1c(O)ccc2ccccc21 ZINC000408529529 534782908 /nfs/dbraw/zinc/78/29/08/534782908.db2.gz ILXJZUVTGHAJHY-WQRHYEAKSA-N 0 0 380.856 5.090 40 30 GKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000408876509 534783203 /nfs/dbraw/zinc/78/32/03/534783203.db2.gz LQJMVAAFBQLQLM-WQRHYEAKSA-N 0 0 382.391 5.116 40 30 GKEBRN Cc1cc(C[C@](C)(C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 ZINC000034866044 524836681 /nfs/dbraw/zinc/83/66/81/524836681.db2.gz DSWIROKRYFYWHD-AREMUKBSSA-N 0 0 383.539 5.930 40 30 in-vitro GKEBRN CS/C(=N\C#N)SCSc1nc2ccc(Br)cc2s1 ZINC000015441946 525285344 /nfs/dbraw/zinc/28/53/44/525285344.db2.gz VDUYLBRXYVYXHM-GXDHUFHOSA-N 0 0 390.378 5.042 40 30 GKEBRN CS/C(=N\C#N)SCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000015441950 525286638 /nfs/dbraw/zinc/28/66/38/525286638.db2.gz UYBIZFPXIIZKCJ-XUTLUUPISA-N 0 0 397.550 5.991 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2cccc3cccnc32)o1 ZINC000408988017 534848870 /nfs/dbraw/zinc/84/88/70/534848870.db2.gz 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527127054 /nfs/dbraw/zinc/12/70/54/527127054.db2.gz GBYPSPMZGHUMDF-VROXFSQNSA-N 0 0 386.665 6.609 40 30 GKEBRN O=C(Nc1ccc(-c2csc(N=NCc3ccco3)n2)cc1)c1ccccc1 ZINC000004763211 527139738 /nfs/dbraw/zinc/13/97/38/527139738.db2.gz NAJCZGTYNHIIFZ-LPYMAVHISA-N 0 0 388.452 5.101 40 30 GKEBRN C=CCc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCC ZINC000409107084 527229107 /nfs/dbraw/zinc/22/91/07/527229107.db2.gz URJSRYOZLSCCPU-BRJLIKDPSA-N 0 0 393.409 5.072 40 30 GKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409119336 527243433 /nfs/dbraw/zinc/24/34/33/527243433.db2.gz SBYSSVBIRNHULG-UHFFFAOYSA-N 0 0 391.486 6.062 40 30 GKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(F)cc1 ZINC000409117273 527244639 /nfs/dbraw/zinc/24/46/39/527244639.db2.gz MTKQMQSRHOLEEA-UHFFFAOYSA-N 0 0 391.486 6.062 40 30 GKEBRN C=CCc1cc(CO)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409110848 527245382 /nfs/dbraw/zinc/24/53/82/527245382.db2.gz ZBJDTMIPIRQEQS-UHFFFAOYSA-N 0 0 397.349 5.025 40 30 GKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409119209 527245535 /nfs/dbraw/zinc/24/55/35/527245535.db2.gz RNIKLMQHQLZJFM-UHFFFAOYSA-N 0 0 387.523 6.232 40 30 GKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3ccccc3F)NC2=O)c2ccccc21 ZINC000408818048 527292931 /nfs/dbraw/zinc/29/29/31/527292931.db2.gz OTPZGETVIHFJLQ-UHFFFAOYSA-N 0 0 392.479 5.038 40 30 GKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 ZINC000409351474 527342374 /nfs/dbraw/zinc/34/23/74/527342374.db2.gz UWCOCCSVUQTHAT-UHFFFAOYSA-N 0 0 381.888 5.823 40 30 GKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C ZINC000409342230 527343199 /nfs/dbraw/zinc/34/31/99/527343199.db2.gz CUZLFTYVBWVGPT-UHFFFAOYSA-N 0 0 390.339 6.039 40 30 GKEBRN O=[N+]([O-])c1ccc(C=Cc2ccccc2C=NNc2ccccc2)c([N+](=O)[O-])c1 ZINC000033368251 527344346 /nfs/dbraw/zinc/34/43/46/527344346.db2.gz FLJIBYMNFLZBJD-NEPSEBJZSA-N 0 0 388.383 5.119 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3nc4ccccc4s3)o2)cc1 ZINC000004404958 527360142 /nfs/dbraw/zinc/36/01/42/527360142.db2.gz IUTQYNRRYMDEAE-YBFXNURJSA-N 0 0 396.453 5.395 40 30 GKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc21 ZINC000408916754 527363216 /nfs/dbraw/zinc/36/32/16/527363216.db2.gz YZWOZWLVHDEASE-NFEGURHZSA-N 0 0 387.508 5.370 40 30 GKEBRN C=CCn1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc21 ZINC000408765254 527363606 /nfs/dbraw/zinc/36/36/06/527363606.db2.gz UXJAKOPNEUAPGO-STZFKDTASA-N 0 0 387.508 5.281 40 30 GKEBRN O=C(Nc1cccc2ccccc21)O/N=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000005772310 527383538 /nfs/dbraw/zinc/38/35/38/527383538.db2.gz WKBPCBZTNXEZOW-SLEBQGDGSA-N 0 0 394.430 5.676 40 30 GKEBRN C=C[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O ZINC000408964195 527395001 /nfs/dbraw/zinc/39/50/01/527395001.db2.gz BURQKDRRSMCLQT-KELUXRKGSA-N 0 0 380.513 5.267 40 30 GKEBRN O=C(Nc1ccccc1)Oc1ccc(/C=N/Sc2cccc([N+](=O)[O-])c2)cc1 ZINC000017062368 527395827 /nfs/dbraw/zinc/39/58/27/527395827.db2.gz GTEIUCQTEBXUQR-KGENOOAVSA-N 0 0 393.424 5.332 40 30 GKEBRN C(=N\n1cnnc1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000014137659 527475066 /nfs/dbraw/zinc/47/50/66/527475066.db2.gz ISVBYOXIGBLQRE-QRQIAZFYSA-N 0 0 389.462 5.285 40 30 GKEBRN C(=N/c1ccccc1)\c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409208960 527475261 /nfs/dbraw/zinc/47/52/61/527475261.db2.gz BBOPLFVYECDAQV-VUTHCHCSSA-N 0 0 387.482 7.323 40 30 GKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccc2c(c1)OCO2 ZINC000408938415 527475654 /nfs/dbraw/zinc/47/56/54/527475654.db2.gz QJNJCZMFDYLSAR-HVCNHYHYSA-N 0 0 394.474 5.992 40 30 GKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000409363021 527521520 /nfs/dbraw/zinc/52/15/20/527521520.db2.gz SUEJWGSMBFGFAZ-WEVVVXLNSA-N 0 0 377.284 5.824 40 30 GKEBRN C/C(=N\N=c1sc(C)c(-c2ccccc2)n1Cc1ccco1)c1ccccc1 ZINC000504522889 527538189 /nfs/dbraw/zinc/53/81/89/527538189.db2.gz MXMVABFBIVQHJH-DJBLSUFVSA-N 0 0 387.508 5.491 40 30 GKEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409239787 527552940 /nfs/dbraw/zinc/55/29/40/527552940.db2.gz FEJFLJKNECIMJW-CCNLRRDASA-N 0 0 381.522 5.757 40 30 GKEBRN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000032100214 527598783 /nfs/dbraw/zinc/59/87/83/527598783.db2.gz UAQHUFSYIRTAOJ-FMQUCBEESA-N 0 0 391.470 6.954 40 30 GKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1Br ZINC000005649202 527655762 /nfs/dbraw/zinc/65/57/62/527655762.db2.gz XDBCFWNOWWAVMP-QINSGFPZSA-N 0 0 393.280 5.924 40 30 GKEBRN O[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2/N=C\c1ccc2c(c1)OCO2 ZINC000104091529 527680635 /nfs/dbraw/zinc/68/06/35/527680635.db2.gz OTSUYTRWZUVSMX-ZTYSJSEQSA-N 0 0 398.245 5.535 40 30 GKEBRN FC(F)(F)c1ccc(Cl)c(NN=Cc2cccc(Oc3ccccc3)c2)c1 ZINC000006982536 527682939 /nfs/dbraw/zinc/68/29/39/527682939.db2.gz OXGGZCVSZUKHNW-DHRITJCHSA-N 0 0 390.792 6.597 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000036417617 527705690 /nfs/dbraw/zinc/70/56/90/527705690.db2.gz AKTPAJMBVLOPJG-ZEQHCUNVSA-N 0 0 386.664 7.485 40 30 GKEBRN CCN1c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc2C(C)=CC1(C)C ZINC000208522524 527994968 /nfs/dbraw/zinc/99/49/68/527994968.db2.gz XRJNGFOHNNMMRY-IWIPYMOSSA-N 0 0 392.572 5.337 40 30 GKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000223474712 528096240 /nfs/dbraw/zinc/09/62/40/528096240.db2.gz GDXCYETVDNQCLW-OEAKJJBVSA-N 0 0 378.476 5.451 40 30 GKEBRN CCOC(=O)c1c(/N=C\c2ccc(OCC(C)C)cc2)sc2c1CCCC2 ZINC000408602929 528117640 /nfs/dbraw/zinc/11/76/40/528117640.db2.gz PAUGGXXJYUFTDY-QRVIBDJDSA-N 0 0 385.529 5.589 40 30 GKEBRN CCCCCCCCCCCCCCCCOc1ccc(C(C)=O)c(O)c1 ZINC000100934088 528122975 /nfs/dbraw/zinc/12/29/75/528122975.db2.gz PJDDXOSKJJCJQW-UHFFFAOYSA-N 0 0 376.581 7.455 40 30 GKEBRN CCCCCCCCCCC/C(=N\O)c1cc(C)cc(Br)c1O ZINC000100931375 528123022 /nfs/dbraw/zinc/12/30/22/528123022.db2.gz UNBFBTQJHZWRJK-DYTRJAOYSA-N 0 0 384.358 6.562 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000408670654 528123220 /nfs/dbraw/zinc/12/32/20/528123220.db2.gz IXDYUDIPUYXDLQ-UHFFFAOYSA-N 0 0 394.559 6.798 40 30 GKEBRN CCCCCCCCCCCCNC(=O)CSc1nc2ccccc2s1 ZINC000100944047 528123772 /nfs/dbraw/zinc/12/37/72/528123772.db2.gz OPWJYUMQRICMAT-UHFFFAOYSA-N 0 0 392.634 6.426 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1OCC ZINC000105433218 528123828 /nfs/dbraw/zinc/12/38/28/528123828.db2.gz KBZLSZXOOIDILW-UHFFFAOYSA-N 0 0 376.541 5.061 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000408707733 528123951 /nfs/dbraw/zinc/12/39/51/528123951.db2.gz DBJLWBHIQICGRC-UHFFFAOYSA-N 0 0 388.596 5.960 40 30 GKEBRN CCCCCCCCCCCNC(=S)N/N=C\c1ccc(C(C)C)cc1 ZINC000100355472 528124595 /nfs/dbraw/zinc/12/45/95/528124595.db2.gz NFGGYSDADRDLMN-MOHJPFBDSA-N 0 0 375.626 6.139 40 30 GKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 ZINC000408709028 528125827 /nfs/dbraw/zinc/12/58/27/528125827.db2.gz OFRURIWNOHASDC-UHFFFAOYSA-N 0 0 376.541 5.061 40 30 GKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 ZINC000408709598 528126548 /nfs/dbraw/zinc/12/65/48/528126548.db2.gz UVIKQZZRVYKXCX-UHFFFAOYSA-N 0 0 390.568 5.451 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408586575 528132911 /nfs/dbraw/zinc/13/29/11/528132911.db2.gz OAFQDCULSUHLQE-UHFFFAOYSA-N 0 0 394.342 6.985 40 30 GKEBRN CCCCCCCCOc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000105386555 528133449 /nfs/dbraw/zinc/13/34/49/528133449.db2.gz WBGKETKLWNVAKR-RVDMUPIBSA-N 0 0 375.512 6.850 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC ZINC000408561384 528138854 /nfs/dbraw/zinc/13/88/54/528138854.db2.gz IPLDAAKTACLGBQ-UHFFFAOYSA-N 0 0 394.972 5.195 40 30 GKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409080279 528142701 /nfs/dbraw/zinc/14/27/01/528142701.db2.gz MQZXQDZNQRLDLK-SJJYNHATSA-N 0 0 394.584 6.556 40 30 GKEBRN CCCCCCOc1ccc(C=Nc2ccc(C(=O)OCCCC)cc2)cc1 ZINC000299888514 528146458 /nfs/dbraw/zinc/14/64/58/528146458.db2.gz MKPUCYFWMJISAK-UHFFFAOYSA-N 0 0 381.516 6.353 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409087730 528153049 /nfs/dbraw/zinc/15/30/49/528153049.db2.gz ZLDGAULIXGXTTP-CHHVJCJISA-N 0 0 396.657 5.542 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409085457 528153123 /nfs/dbraw/zinc/15/31/23/528153123.db2.gz SGCAEQMGIKHZSE-NSIKDUERSA-N 0 0 380.202 5.028 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408910698 528163249 /nfs/dbraw/zinc/16/32/49/528163249.db2.gz IYQNPFRSIRCOLZ-QNQNADBQSA-N 0 0 375.497 5.192 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408908117 528163452 /nfs/dbraw/zinc/16/34/52/528163452.db2.gz DOQZXFYKFWOEPL-NVZLDUMVSA-N 0 0 389.524 5.675 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408907018 528163674 /nfs/dbraw/zinc/16/36/74/528163674.db2.gz KZKFDCNBOHBLDC-NVZLDUMVSA-N 0 0 394.540 5.735 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC)S/C1=N\c1ccccc1 ZINC000408911724 528163685 /nfs/dbraw/zinc/16/36/85/528163685.db2.gz OEQNIRQGQFCQOX-MVPFZZEBSA-N 0 0 396.512 5.108 40 30 GKEBRN CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000059109326 528166394 /nfs/dbraw/zinc/16/63/94/528166394.db2.gz BXGUEXYSKYZMLY-KEBDBYFISA-N 0 0 382.685 5.569 40 30 GKEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408581979 528185279 /nfs/dbraw/zinc/18/52/79/528185279.db2.gz KLANASUBUHRNJL-UHFFFAOYSA-N 0 0 388.423 5.010 40 30 GKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1cccc2ccccc21 ZINC000408942224 528194111 /nfs/dbraw/zinc/19/41/11/528194111.db2.gz YGFARBIITUHHGO-FYJGNVAPSA-N 0 0 387.435 5.134 40 30 GKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1 ZINC000408941906 528194963 /nfs/dbraw/zinc/19/49/63/528194963.db2.gz QBHMJMRBAXHTAO-GIJQJNRQSA-N 0 0 399.874 5.251 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3ccc(C(C)=O)cc3)c2C)cc1 ZINC000100212131 528195604 /nfs/dbraw/zinc/19/56/04/528195604.db2.gz AZFUMFXLRXXHKQ-MFKUBSTISA-N 0 0 388.467 5.224 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 ZINC000100212133 528196217 /nfs/dbraw/zinc/19/62/17/528196217.db2.gz FYYMCFCPIOTMAF-WGOQTCKBSA-N 0 0 388.511 6.145 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=Nc3cccc4cccnc43)c2C)cc1 ZINC000408737753 528196485 /nfs/dbraw/zinc/19/64/85/528196485.db2.gz GJRGVADNFFXQRU-UHFFFAOYSA-N 0 0 397.478 5.570 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 ZINC000408768294 528196635 /nfs/dbraw/zinc/19/66/35/528196635.db2.gz FADQNZQLUBPVPB-AFUMVMLFSA-N 0 0 394.902 5.983 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409016090 528197581 /nfs/dbraw/zinc/19/75/81/528197581.db2.gz SFIUNCNEAAZTDM-HYARGMPZSA-N 0 0 397.272 5.167 40 30 GKEBRN CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409182050 528200010 /nfs/dbraw/zinc/20/00/10/528200010.db2.gz HUVOTQGACXPBNU-HZHRSRAPSA-N 0 0 391.427 5.019 40 30 GKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409030785 528211052 /nfs/dbraw/zinc/21/10/52/528211052.db2.gz FPBKGQVKGARWRW-YCPBAFNGSA-N 0 0 396.306 5.341 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(C=Nc3ccc(C(C)=O)cc3)c2C)c1 ZINC000408966723 528246123 /nfs/dbraw/zinc/24/61/23/528246123.db2.gz NCOPOEYRHCQJSZ-MFKUBSTISA-N 0 0 388.467 5.224 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(C=Nc3cccc(C(C)=O)c3)c2C)c1 ZINC000408966998 528246198 /nfs/dbraw/zinc/24/61/98/528246198.db2.gz OQGPHWBCOXKSKF-MFKUBSTISA-N 0 0 388.467 5.224 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)c1 ZINC000408967538 528246370 /nfs/dbraw/zinc/24/63/70/528246370.db2.gz QTJZKERLXSKLGL-DHRITJCHSA-N 0 0 382.410 5.300 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc4ccccc43)c2C)c1 ZINC000408967842 528246376 /nfs/dbraw/zinc/24/63/76/528246376.db2.gz SJMKXTNXPJMKGE-WPWMEQJKSA-N 0 0 396.490 6.175 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)c1 ZINC000408965834 528246614 /nfs/dbraw/zinc/24/66/14/528246614.db2.gz IYCILOJUNHMUIZ-XYGWBWBKSA-N 0 0 389.499 5.087 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 ZINC000408858595 528246691 /nfs/dbraw/zinc/24/66/91/528246691.db2.gz UHXUREZZBKYSQD-HMAPJEAMSA-N 0 0 397.272 5.167 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)c1 ZINC000408963788 528247016 /nfs/dbraw/zinc/24/70/16/528247016.db2.gz AURCRKKDEAXUKN-IWIPYMOSSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 ZINC000408967125 528247071 /nfs/dbraw/zinc/24/70/71/528247071.db2.gz PWDFVXZFRHJTCP-YUMHPJSZSA-N 0 0 397.478 5.570 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)c1 ZINC000408963859 528247215 /nfs/dbraw/zinc/24/72/15/528247215.db2.gz AMRJBOQSTZORBW-OYKKKHCWSA-N 0 0 380.875 5.675 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000408741060 528293661 /nfs/dbraw/zinc/29/36/61/528293661.db2.gz NQWUDDQMSFPTJO-NLRVBDNBSA-N 0 0 388.559 5.757 40 30 GKEBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000409064437 528314260 /nfs/dbraw/zinc/31/42/60/528314260.db2.gz PMJCPGFVZRJRPD-LPYMAVHISA-N 0 0 382.489 5.004 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 ZINC000409186694 528358531 /nfs/dbraw/zinc/35/85/31/528358531.db2.gz GOPSLBRMBINADM-OEAKJJBVSA-N 0 0 377.444 5.460 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 ZINC000409189057 528358623 /nfs/dbraw/zinc/35/86/23/528358623.db2.gz HZNZUSPEKOSEED-MFKUBSTISA-N 0 0 390.483 5.338 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000409187478 528358880 /nfs/dbraw/zinc/35/88/80/528358880.db2.gz QYRHSDYIUCVZLE-IWIPYMOSSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000409188471 528359027 /nfs/dbraw/zinc/35/90/27/528359027.db2.gz ZNMWLBGPWHKEEA-UCQKPKSFSA-N 0 0 377.444 5.460 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000409186897 528359111 /nfs/dbraw/zinc/35/91/11/528359111.db2.gz JFSKAESTPJFMNK-OYKKKHCWSA-N 0 0 391.471 5.768 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000408531736 528370141 /nfs/dbraw/zinc/37/01/41/528370141.db2.gz QHVAEPKVJPGJBX-YBEGLDIGSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1I ZINC000408905372 528374307 /nfs/dbraw/zinc/37/43/07/528374307.db2.gz XZIJLQKAERCYST-UDWIEESQSA-N 0 0 393.268 5.564 40 30 GKEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000100242821 528374556 /nfs/dbraw/zinc/37/45/56/528374556.db2.gz VRZBMSUSXJYAFG-XYGWBWBKSA-N 0 0 388.467 5.162 40 30 GKEBRN CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1I ZINC000408904756 528374682 /nfs/dbraw/zinc/37/46/82/528374682.db2.gz OEPSCLCAOMVQQN-VXLYETTFSA-N 0 0 399.659 5.402 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 ZINC000408908476 528449723 /nfs/dbraw/zinc/44/97/23/528449723.db2.gz FCJVAGJCKZIPEZ-XGHAMVSDSA-N 0 0 396.512 5.113 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408915624 528450115 /nfs/dbraw/zinc/45/01/15/528450115.db2.gz QGXOBVVMYXLRLU-ZIGJTDFESA-N 0 0 384.932 6.053 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(I)c(C)c1 ZINC000409107875 528470953 /nfs/dbraw/zinc/47/09/53/528470953.db2.gz XKZXWEPUEQFKJY-GRSHGNNSSA-N 0 0 399.659 5.402 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2cccc(OC)c2)cc1 ZINC000409094123 528471032 /nfs/dbraw/zinc/47/10/32/528471032.db2.gz CDNZWMAUUJZDLJ-BUVRLJJBSA-N 0 0 381.859 6.290 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O ZINC000408814604 528471223 /nfs/dbraw/zinc/47/12/23/528471223.db2.gz HJZCUQDGZIJFHC-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 ZINC000409021062 528564181 /nfs/dbraw/zinc/56/41/81/528564181.db2.gz XJTZTPDBHWRUHZ-WTJYETQFSA-N 0 0 387.907 6.225 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 ZINC000408955645 528564313 /nfs/dbraw/zinc/56/43/13/528564313.db2.gz XZUJEVZLGGNMKL-JJIBRWJFSA-N 0 0 376.456 5.193 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(I)cc2)C1 ZINC000408562730 528594754 /nfs/dbraw/zinc/59/47/54/528594754.db2.gz AVOORJCKEYFRSI-XTZCOPOCSA-N 0 0 397.300 5.392 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(N=Nc3ccc(C)cc3)cc2)C1 ZINC000408563617 528594978 /nfs/dbraw/zinc/59/49/78/528594978.db2.gz QGFQSUJAFPXTKE-IIUGNXQPSA-N 0 0 389.543 7.512 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c1 ZINC000408914413 528625519 /nfs/dbraw/zinc/62/55/19/528625519.db2.gz NWWSTHYHXNTOJJ-JJDFSSEZSA-N 0 0 394.540 5.796 40 30 GKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408738231 528627975 /nfs/dbraw/zinc/62/79/75/528627975.db2.gz JJLOPXAOPSQFRZ-OEAKJJBVSA-N 0 0 397.316 6.006 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1 ZINC000408906075 528640575 /nfs/dbraw/zinc/64/05/75/528640575.db2.gz HDAWEBZSMOOUTD-SUJVXMJXSA-N 0 0 380.513 5.489 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1 ZINC000408910547 528640861 /nfs/dbraw/zinc/64/08/61/528640861.db2.gz XDLACQHWRHCJLA-NVZLDUMVSA-N 0 0 394.540 5.716 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 ZINC000408907609 528640882 /nfs/dbraw/zinc/64/08/82/528640882.db2.gz NZXUDPHRZQMSSY-MIIQOVFOSA-N 0 0 394.540 5.716 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 ZINC000408863513 528641405 /nfs/dbraw/zinc/64/14/05/528641405.db2.gz SJFOOCXVHVNIGE-WQRHYEAKSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1OC ZINC000408914335 528641450 /nfs/dbraw/zinc/64/14/50/528641450.db2.gz NVNUZEKWHIFRJU-QNQNADBQSA-N 0 0 396.512 5.026 40 30 GKEBRN CCCCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OC ZINC000408978260 528656377 /nfs/dbraw/zinc/65/63/77/528656377.db2.gz HKRKYVVYPMKHJZ-UHFFFAOYSA-N 0 0 387.483 5.196 40 30 GKEBRN CCOCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1ccccc1 ZINC000408929965 528727239 /nfs/dbraw/zinc/72/72/39/528727239.db2.gz QDXUSEVEBRDHDF-RDHMHZQQSA-N 0 0 394.540 5.451 40 30 GKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408910404 528767154 /nfs/dbraw/zinc/76/71/54/528767154.db2.gz IDVUPWRQPBQRCZ-NVZLDUMVSA-N 0 0 394.540 5.796 40 30 GKEBRN CC/N=C1\S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C(=O)N1CC ZINC000223499264 528829781 /nfs/dbraw/zinc/82/97/81/528829781.db2.gz AWFFDPKGOZHNDB-AQWOHROKSA-N 0 0 397.588 5.329 40 30 GKEBRN CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)N1CC ZINC000223486012 528829847 /nfs/dbraw/zinc/82/98/47/528829847.db2.gz GZHYDRVHODPRRW-AQWOHROKSA-N 0 0 397.588 5.409 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409238904 528944350 /nfs/dbraw/zinc/94/43/50/528944350.db2.gz OIKNZUAYQXRNPI-UGUJKLNUSA-N 0 0 395.286 5.756 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408909326 528944363 /nfs/dbraw/zinc/94/43/63/528944363.db2.gz HDTUCJIKMLMNOH-DYEBMTOPSA-N 0 0 380.513 5.244 40 30 GKEBRN CCN1C(=O)/C(=C\C=C\c2ccc(OC)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409229229 528944408 /nfs/dbraw/zinc/94/44/08/528944408.db2.gz LUHGXHDMXGZHOW-VEWQJGNPSA-N 0 0 382.460 5.014 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409242017 528944652 /nfs/dbraw/zinc/94/46/52/528944652.db2.gz TYAIYFZPCBLGFM-JUAGQRJUSA-N 0 0 385.508 5.449 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1c(C)cccc1C ZINC000408914665 528944939 /nfs/dbraw/zinc/94/49/39/528944939.db2.gz WZKKTSFWKZFUMF-NMSSZPRHSA-N 0 0 380.513 5.244 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1c(C)cccc1C ZINC000408906015 528945729 /nfs/dbraw/zinc/94/57/29/528945729.db2.gz AEWHEVCOORRHOL-NMSSZPRHSA-N 0 0 380.513 5.244 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1cc(C)ccc1C ZINC000408906179 528945926 /nfs/dbraw/zinc/94/59/26/528945926.db2.gz ASVJUCJGGLGWJU-DYEBMTOPSA-N 0 0 380.513 5.244 40 30 GKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000409047006 528956405 /nfs/dbraw/zinc/95/64/05/528956405.db2.gz SVXPAQOTDDPTBB-UHFFFAOYSA-N 0 0 377.528 5.392 40 30 GKEBRN CCCCc1ccc(/N=C/c2ccc(O)c(I)c2)cc1 ZINC000408965578 529018302 /nfs/dbraw/zinc/01/83/02/529018302.db2.gz WBEOMOQRRNRUNN-XDHOZWIPSA-N 0 0 379.241 5.090 40 30 GKEBRN CCCCc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409228295 529018366 /nfs/dbraw/zinc/01/83/66/529018366.db2.gz WXFWCBCAXVZRFO-VEILYXNESA-N 0 0 384.498 6.922 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000409379607 529186738 /nfs/dbraw/zinc/18/67/38/529186738.db2.gz YKJRFTYAVGEFPH-JYQBEENSSA-N 0 0 397.258 5.838 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(C(=O)OC)c2C)cc1OC ZINC000409377022 529186801 /nfs/dbraw/zinc/18/68/01/529186801.db2.gz FEEHJDDGAOPVSO-ZXCVBSDHSA-N 0 0 389.879 5.372 40 30 GKEBRN CC[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409406762 529194131 /nfs/dbraw/zinc/19/41/31/529194131.db2.gz YSBVLBUGSFZBIL-SFHVURJKSA-N 0 0 397.478 5.123 40 30 GKEBRN CC[C@H](C)Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403943 529197151 /nfs/dbraw/zinc/19/71/51/529197151.db2.gz NVSZAPITJJKWGW-SFHVURJKSA-N 0 0 397.478 5.123 40 30 GKEBRN CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409209348 529197300 /nfs/dbraw/zinc/19/73/00/529197300.db2.gz GEFJPKNQFZTQJG-CNYYYSEYSA-N 0 0 394.584 6.699 40 30 GKEBRN CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409040901 529240417 /nfs/dbraw/zinc/24/04/17/529240417.db2.gz YZNZJSBBZIUFTC-OPVMPGTRSA-N 0 0 398.347 5.666 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409250848 529273576 /nfs/dbraw/zinc/27/35/76/529273576.db2.gz OGYAFIGGVZIESK-GCMSVZMUSA-N 0 0 396.328 7.282 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000059248266 529273808 /nfs/dbraw/zinc/27/38/08/529273808.db2.gz LKPQYCZYBQDZTC-HADWXUJASA-N 0 0 375.310 5.906 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408914961 529349862 /nfs/dbraw/zinc/34/98/62/529349862.db2.gz OLKMJSKCLIUWKJ-XNGCSZICSA-N 0 0 384.932 6.051 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912710 529349893 /nfs/dbraw/zinc/34/98/93/529349893.db2.gz LOWSDLXQIRCCEI-SGOKGXKRSA-N 0 0 380.513 5.406 40 30 GKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 ZINC000001712004 560184255 /nfs/dbraw/zinc/18/42/55/560184255.db2.gz MONPOCASPAGPNP-CEMLEFRQSA-N 0 0 386.557 5.699 40 30 in-vitro GKEBRN Clc1cc(Cl)c(NN=Cc2ccccc2Br)c(Cl)c1 ZINC000005785645 570218693 /nfs/dbraw/zinc/21/86/93/570218693.db2.gz XREKREPGKUOVTC-CNHKJKLMSA-N 0 0 378.484 5.855 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000010333126 570229923 /nfs/dbraw/zinc/22/99/23/570229923.db2.gz HYWKVBIEIDQROD-UHFFFAOYSA-N 0 0 375.493 5.796 40 30 GKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000013635117 570242575 /nfs/dbraw/zinc/24/25/75/570242575.db2.gz GYLFTRFCTUXMLM-JOCHJYFZSA-N 0 0 387.483 5.178 40 30 GKEBRN C=CCc1cc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC ZINC000223318041 570244981 /nfs/dbraw/zinc/24/49/81/570244981.db2.gz LAEZEBHIAGMJIC-KRWDZBQOSA-N 0 0 381.516 5.355 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223355373 570246973 /nfs/dbraw/zinc/24/69/73/570246973.db2.gz DNTLVJSKPFVIHG-QGZVFWFLSA-N 0 0 383.557 5.896 40 30 GKEBRN CCN1c2cc(C)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C ZINC000208510420 570262497 /nfs/dbraw/zinc/26/24/97/570262497.db2.gz NCEMYYOSOACCBF-OEAKJJBVSA-N 0 0 378.476 5.371 40 30 GKEBRN Cc1cc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c(C)n1CC(F)(F)F ZINC000005923233 570274457 /nfs/dbraw/zinc/27/44/57/570274457.db2.gz DYMCFMIXSZUHJB-GEVRCRHISA-N 0 0 398.643 6.073 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(Cl)cc1 ZINC000002676728 570274462 /nfs/dbraw/zinc/27/44/62/570274462.db2.gz NLADNSXHNMYUPY-UHFFFAOYSA-O 0 0 396.750 6.592 40 30 GKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000100870593 570278948 /nfs/dbraw/zinc/27/89/48/570278948.db2.gz XZWUGWAIVKGTRA-YGUNLJQTSA-N 0 0 390.502 5.863 40 30 GKEBRN CCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 ZINC000100925824 570279245 /nfs/dbraw/zinc/27/92/45/570279245.db2.gz WVUVSQXIHNPGDV-WJTDDFOZSA-N 0 0 383.532 6.333 40 30 GKEBRN CCCCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N ZINC000100932697 570279516 /nfs/dbraw/zinc/27/95/16/570279516.db2.gz MKLSQASAKUNSGG-UHFFFAOYSA-N 0 0 395.682 6.835 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000006175686 570280798 /nfs/dbraw/zinc/28/07/98/570280798.db2.gz OAVBOSZXKMUFMO-MRXNPFEDSA-N 0 0 386.520 5.515 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1Cl ZINC000020761208 570281613 /nfs/dbraw/zinc/28/16/13/570281613.db2.gz SBTBZVQGSYCHRR-MFKUBSTISA-N 0 0 380.875 5.051 40 30 GKEBRN CSC(=Nc1ccccc1)c1c(-c2ccccc2)cc2n(C)c3ccccc3n21 ZINC000334141694 570281777 /nfs/dbraw/zinc/28/17/77/570281777.db2.gz UDAMVUHIIJDUGC-UHFFFAOYSA-N 0 0 395.531 6.539 40 30 GKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000020762159 570282579 /nfs/dbraw/zinc/28/25/79/570282579.db2.gz FBYXOYBIONPEQL-JVWAILMASA-N 0 0 383.495 5.130 40 30 GKEBRN O=C(/C=C/N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000002385070 570285414 /nfs/dbraw/zinc/28/54/14/570285414.db2.gz SLNYQMUPDZBKPY-VOTSOKGWSA-N 0 0 395.717 5.165 40 30 GKEBRN C=CCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 ZINC000021577856 570285874 /nfs/dbraw/zinc/28/58/74/570285874.db2.gz AFOQDBIDNBNREI-UHFFFAOYSA-N 0 0 399.566 5.361 40 30 GKEBRN CCCCCCCCCCCCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000102974593 570293704 /nfs/dbraw/zinc/29/37/04/570293704.db2.gz DLBHDDYNOOLEJJ-MRCUWXFGSA-N 0 0 398.584 6.406 40 30 GKEBRN COc1ccc(CN/N=C(\C)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000216058781 570295333 /nfs/dbraw/zinc/29/53/33/570295333.db2.gz ITTNRRWONUQJDZ-KOEQRZSOSA-N 0 0 376.456 5.010 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)Nc1cccc2cnccc21 ZINC000104139799 570298361 /nfs/dbraw/zinc/29/83/61/570298361.db2.gz TVGJEKCBNHFKNL-UHFFFAOYSA-N 0 0 382.592 7.655 40 30 GKEBRN CCOc1ccc(/N=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000104160282 570298567 /nfs/dbraw/zinc/29/85/67/570298567.db2.gz GHGGYFYWDPXANK-JLPGSUDCSA-N 0 0 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CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(N(C)C)cc1 ZINC000104380341 570302191 /nfs/dbraw/zinc/30/21/91/570302191.db2.gz WJPIPSIPUPMPDI-CLCOLTQESA-N 0 0 390.641 5.472 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)cc1 ZINC000104373405 570302208 /nfs/dbraw/zinc/30/22/08/570302208.db2.gz ROGWSZCTHAYZAM-NKFKGCMQSA-N 0 0 377.598 5.414 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000104373399 570302243 /nfs/dbraw/zinc/30/22/43/570302243.db2.gz TWJRLEDTLXGCRW-OQKWZONESA-N 0 0 392.569 5.314 40 30 GKEBRN CCCCCCCCCCCCCCCCCc1[nH]c(=O)[nH]c(=O)c1Cl ZINC000104382191 570302283 /nfs/dbraw/zinc/30/22/83/570302283.db2.gz NBLRUDQROSAIGF-UHFFFAOYSA-N 0 0 384.992 6.955 40 30 GKEBRN C/C=C(C)/C=N\NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376661 570302309 /nfs/dbraw/zinc/30/23/09/570302309.db2.gz ZVKYLBOYIWAGJU-OIIRGBNQSA-N 0 0 381.674 6.884 40 30 GKEBRN Cc1ccc(C(C)C)c(O/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1 ZINC000104921636 570303874 /nfs/dbraw/zinc/30/38/74/570303874.db2.gz RZBULRRXZAHZGH-VHXPQNKSSA-N 0 0 393.508 5.333 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C ZINC000584577237 570311510 /nfs/dbraw/zinc/31/15/10/570311510.db2.gz MECHNRXZTMCUDQ-YQJPVALUSA-N 0 0 396.659 7.641 40 30 GKEBRN CCNC(=O)/C=C\CCC#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000031852113 570312262 /nfs/dbraw/zinc/31/22/62/570312262.db2.gz MJQKFFOBZMKGQM-POHAHGRESA-N 0 0 397.590 6.029 40 30 GKEBRN CCc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 ZINC000004848920 570317915 /nfs/dbraw/zinc/31/79/15/570317915.db2.gz XDNFMQKQMNWGNH-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 ZINC000004849167 570319260 /nfs/dbraw/zinc/31/92/60/570319260.db2.gz SBXFHCXIEPZYFN-UHFFFAOYSA-N 0 0 381.888 5.108 40 30 GKEBRN COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408625698 570348377 /nfs/dbraw/zinc/34/83/77/570348377.db2.gz YXNZGCPAHUSCFI-UKTHLTGXSA-N 0 0 389.407 5.079 40 30 GKEBRN Cc1sc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C 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SRRXXMCYUADIQP-UHFFFAOYSA-N 0 0 377.447 5.448 40 30 GKEBRN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1cc2ccccc2oc1=O ZINC000004268125 570364476 /nfs/dbraw/zinc/36/44/76/570364476.db2.gz ZLFGXIHUEHESPY-BUHFOSPRSA-N 0 0 376.411 5.996 40 30 GKEBRN Cc1ccc(N=C2c3ccccc3C(=Nc3ccc(C)cc3)c3ccccc32)cc1 ZINC000004265384 570364563 /nfs/dbraw/zinc/36/45/63/570364563.db2.gz OCZOJSIMMQANHL-UHFFFAOYSA-N 0 0 386.498 6.955 40 30 GKEBRN COc1ccc(NN=C(C#N)c2nc(C)c(N=Nc3ccccc3)s2)cc1 ZINC000004292801 570365760 /nfs/dbraw/zinc/36/57/60/570365760.db2.gz SYWMFGHGOKDIML-FUISUDAYSA-N 0 0 376.445 5.215 40 30 GKEBRN CO/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118913477 570366608 /nfs/dbraw/zinc/36/66/08/570366608.db2.gz CTVOPPAULYUILQ-AUNAFZGVSA-N 0 0 397.603 6.327 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 ZINC000118914928 570367053 /nfs/dbraw/zinc/36/70/53/570367053.db2.gz RRBUVKVCPPYRAS-AIFRIFMOSA-N 0 0 388.551 5.301 40 30 GKEBRN 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CCc1ccc(N=C2NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000408755346 570393360 /nfs/dbraw/zinc/39/33/60/570393360.db2.gz KMVGCKNHTMFSRF-WJDWOHSUSA-N 0 0 376.403 5.159 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408755571 570393487 /nfs/dbraw/zinc/39/34/87/570393487.db2.gz QVIPJKPKKUAHAB-WPWMEQJKSA-N 0 0 390.958 7.546 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408756284 570393541 /nfs/dbraw/zinc/39/35/41/570393541.db2.gz PQYHGLJOLYRWPG-QHRIQVFBSA-N 0 0 386.238 5.600 40 30 GKEBRN c1ccc2c(c1)CN(c1ccc3ccccc3c1)/C2=N\c1ccc2ccccc2c1 ZINC000004709886 570396710 /nfs/dbraw/zinc/39/67/10/570396710.db2.gz HKGOVKHLSVZTJI-ZIADKAODSA-N 0 0 384.482 7.092 40 30 GKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccsc3)S2)cc(C)c1Br ZINC000408761754 570397008 /nfs/dbraw/zinc/39/70/08/570397008.db2.gz BHRVCTYTMDXUAT-QPEQYQDCSA-N 0 0 393.331 5.019 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408762206 570397565 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C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006959747 570404284 /nfs/dbraw/zinc/40/42/84/570404284.db2.gz SLIOKMPOWOVTRB-LPYMAVHISA-N 0 0 388.305 5.780 40 30 GKEBRN CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1 ZINC000095851713 570404349 /nfs/dbraw/zinc/40/43/49/570404349.db2.gz OEIWPNWSDYFMIL-UHFFFAOYSA-N 0 0 390.564 6.721 40 30 GKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000408777673 570410093 /nfs/dbraw/zinc/41/00/93/570410093.db2.gz FQHDKWXVYHCLSU-UUYOSTAYSA-N 0 0 387.708 6.261 40 30 GKEBRN C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1Cl ZINC000033695290 570414012 /nfs/dbraw/zinc/41/40/12/570414012.db2.gz QURDNCBCLYLFAO-KTOXEOKQSA-N 0 0 384.719 5.525 40 30 GKEBRN C=CCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 ZINC000224551087 570416703 /nfs/dbraw/zinc/41/67/03/570416703.db2.gz BJOBXPARXWJICG-UHFFFAOYSA-N 0 0 387.479 5.247 40 30 GKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1 ZINC000004924899 570418370 /nfs/dbraw/zinc/41/83/70/570418370.db2.gz RQZFRMOIDYEMKM-ZVHZXABRSA-N 0 0 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/nfs/dbraw/zinc/65/27/74/570652774.db2.gz IBRKKOLUEFQTNT-QHQVFXOCSA-N 0 0 395.553 5.461 40 30 GKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)c(OC)c3)nc1-2 ZINC000059459285 570654277 /nfs/dbraw/zinc/65/42/77/570654277.db2.gz JWCYUTKBMHTOIG-SSDVNMTOSA-N 0 0 384.888 5.330 40 30 GKEBRN CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(C(C)=NOCC)C(=O)C2)c1C ZINC000521218419 570654397 /nfs/dbraw/zinc/65/43/97/570654397.db2.gz UDCNVZNMZRVYGV-MXJLDLDKSA-N 0 0 385.504 5.266 40 30 GKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 ZINC000059463815 570654711 /nfs/dbraw/zinc/65/47/11/570654711.db2.gz ICJQGDRORFILDN-PCLIKHOPSA-N 0 0 384.504 6.545 40 30 GKEBRN O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccs1 ZINC000059461459 570654723 /nfs/dbraw/zinc/65/47/23/570654723.db2.gz PGVVFEQXNMKIIR-UHFFFAOYSA-N 0 0 376.264 5.664 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463572 570654744 /nfs/dbraw/zinc/65/47/44/570654744.db2.gz JRPHOAAFGFBABY-HZHRSRAPSA-N 0 0 385.448 6.136 40 30 GKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 ZINC000059463806 570654751 /nfs/dbraw/zinc/65/47/51/570654751.db2.gz SATLBIGJNQNPHZ-MFKUBSTISA-N 0 0 388.923 7.190 40 30 GKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/CC(C)C)N(C1CCCCC1)C3 ZINC000004967322 570654757 /nfs/dbraw/zinc/65/47/57/570654757.db2.gz OCAXJFFOGYHHGS-WCWDXBQESA-N 0 0 381.589 6.104 40 30 GKEBRN COc1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000059387413 570655790 /nfs/dbraw/zinc/65/57/90/570655790.db2.gz BHKYWZGTXUBPSU-FSJBWODESA-N 0 0 393.899 6.071 40 30 GKEBRN Fc1ccccc1COc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000059418083 570656605 /nfs/dbraw/zinc/65/66/05/570656605.db2.gz KFAOEZKZJXBLKC-YDZHTSKRSA-N 0 0 377.444 5.460 40 30 GKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)ccc1Cl ZINC000059426930 570657017 /nfs/dbraw/zinc/65/70/17/570657017.db2.gz GQMKOJXSSOXOTB-DHRITJCHSA-N 0 0 394.902 5.902 40 30 GKEBRN Cc1ccc(-c2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C)cc1 ZINC000013573850 570657350 /nfs/dbraw/zinc/65/73/50/570657350.db2.gz IEBBPFAIRSJXPZ-UHFFFAOYSA-N 0 0 389.436 5.109 40 30 GKEBRN Fc1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1Cl ZINC000059639106 570657501 /nfs/dbraw/zinc/65/75/01/570657501.db2.gz DPEGCHUNSQMEGN-WGOQTCKBSA-N 0 0 390.845 6.911 40 30 GKEBRN Clc1ccc(-c2sc(N=NCc3ccccc3)nc2-c2ccccc2)cc1 ZINC000059475129 570657864 /nfs/dbraw/zinc/65/78/64/570657864.db2.gz YPAYNUCQUBQLAK-BUVRLJJBSA-N 0 0 389.911 6.577 40 30 GKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1Cl ZINC000059489034 570658683 /nfs/dbraw/zinc/65/86/83/570658683.db2.gz MHPDBUCWGGMNDJ-RVDMUPIBSA-N 0 0 378.697 6.000 40 30 GKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(OC)cc1OC ZINC000059489032 570658727 /nfs/dbraw/zinc/65/87/27/570658727.db2.gz WELSIJIRKDFKPO-RVDMUPIBSA-N 0 0 390.277 5.055 40 30 GKEBRN O=C(Oc1ccccc1/C=N/Cc1ccco1)c1sc2ccccc2c1Cl ZINC000059500724 570659489 /nfs/dbraw/zinc/65/94/89/570659489.db2.gz LNZBSERRTXZRSW-FSJBWODESA-N 0 0 395.867 5.986 40 30 GKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 ZINC000059514349 570660071 /nfs/dbraw/zinc/66/00/71/570660071.db2.gz RAJCWBLJJBKTPI-NTEUORMPSA-N 0 0 382.794 5.250 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 ZINC000059678245 570660898 /nfs/dbraw/zinc/66/08/98/570660898.db2.gz OPWLBAAIQBDCQS-LPYMAVHISA-N 0 0 397.272 5.085 40 30 GKEBRN Clc1ccc(Sc2oc(/C=N/c3ccco3)cc2Br)cc1 ZINC000059679297 570660941 /nfs/dbraw/zinc/66/09/41/570660941.db2.gz QURQJNKCEXKNJC-GIJQJNRQSA-N 0 0 382.666 6.190 40 30 GKEBRN Fc1ccc([N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(F)c1 ZINC000005572166 570665101 /nfs/dbraw/zinc/66/51/01/570665101.db2.gz LQZAMGYMWOCOMX-MTDXEUNCSA-N 0 0 399.444 6.881 40 30 GKEBRN FC(F)(F)c1cnc(N=NCc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000005866290 570665979 /nfs/dbraw/zinc/66/59/79/570665979.db2.gz CDHTZFVZCJBEFV-OPEKNORGSA-N 0 0 375.781 5.867 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccccc1 ZINC000408771760 570681813 /nfs/dbraw/zinc/68/18/13/570681813.db2.gz IQONYLYHZOOHGC-STZFKDTASA-N 0 0 387.508 5.294 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408775949 570682264 /nfs/dbraw/zinc/68/22/64/570682264.db2.gz KUCLLAZEMZZQQI-WTJYETQFSA-N 0 0 375.472 6.266 40 30 GKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408774867 570682747 /nfs/dbraw/zinc/68/27/47/570682747.db2.gz NNRKEZXRMFCZHP-OEAKJJBVSA-N 0 0 381.317 6.170 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408934378 570686779 /nfs/dbraw/zinc/68/67/79/570686779.db2.gz AIHDNGJPCUSLGT-LDADJPATSA-N 0 0 377.827 5.388 40 30 GKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)c1 ZINC000408935132 570686916 /nfs/dbraw/zinc/68/69/16/570686916.db2.gz MPUFPCNFKASZES-OGLMXYFKSA-N 0 0 396.456 7.294 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000408937121 570687307 /nfs/dbraw/zinc/68/73/07/570687307.db2.gz ICPKBXFUYMURGP-VIZOYTHASA-N 0 0 396.657 5.542 40 30 GKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 ZINC000408990484 570689817 /nfs/dbraw/zinc/68/98/17/570689817.db2.gz WISVTPAEMAKOIS-YSMPRRRNSA-N 0 0 392.499 5.447 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409010807 570693108 /nfs/dbraw/zinc/69/31/08/570693108.db2.gz LOBQJBDPLCDGHV-LGVXEURYSA-N 0 0 381.317 6.504 40 30 GKEBRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=NNc1ccccc1 ZINC000012631760 570693747 /nfs/dbraw/zinc/69/37/47/570693747.db2.gz BLBMZKLWBHYTBG-CPXQOTMNSA-N 0 0 395.506 5.338 40 30 GKEBRN COCC/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 ZINC000100442553 570708049 /nfs/dbraw/zinc/70/80/49/570708049.db2.gz PKFPLEVYHTVSMP-QURGRASLSA-N 0 0 397.569 5.023 40 30 GKEBRN CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)ccc2cc1C#N ZINC000000898906 570708811 /nfs/dbraw/zinc/70/88/11/570708811.db2.gz HMUIXQVFXITZMQ-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN S=C(N=NCc1ccc(OCc2cccc(Cl)c2)cc1)Nc1ccccc1 ZINC000001969739 570718568 /nfs/dbraw/zinc/71/85/68/570718568.db2.gz LAMKKBNLZPAXSQ-OEAKJJBVSA-N 0 0 395.915 5.651 40 30 GKEBRN O=C1/C(=C/c2cccc(F)c2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000002155026 570718764 /nfs/dbraw/zinc/71/87/64/570718764.db2.gz WTIWVDGXRANPFB-PRMAFZJDSA-N 0 0 380.488 5.762 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000003042561 570723209 /nfs/dbraw/zinc/72/32/09/570723209.db2.gz JOSKOCXPTDUTKR-PGMHBOJBSA-N 0 0 397.902 6.034 40 30 GKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 ZINC000005337710 570732291 /nfs/dbraw/zinc/73/22/91/570732291.db2.gz QNKUYWSGQXXETI-BRRGBMMTSA-N 0 0 380.491 6.278 40 30 GKEBRN CC(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000005384685 570732587 /nfs/dbraw/zinc/73/25/87/570732587.db2.gz UUAIKYJSVLGCHV-YZSQISJMSA-N 0 0 397.547 7.047 40 30 GKEBRN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000005605077 570734895 /nfs/dbraw/zinc/73/48/95/570734895.db2.gz UNJNQEWJLZSESS-YDZHTSKRSA-N 0 0 393.899 5.975 40 30 GKEBRN Cc1sc(N=NCc2cc(Br)ccc2O)nc1-c1ccccc1 ZINC000006184759 570739087 /nfs/dbraw/zinc/73/90/87/570739087.db2.gz SGGKZVHADHXURL-VXLYETTFSA-N 0 0 388.290 5.033 40 30 GKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000006222005 570739452 /nfs/dbraw/zinc/73/94/52/570739452.db2.gz UFKAZLQTZYKEGY-MSXFZWOLSA-N 0 0 398.915 5.554 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O ZINC000060329216 570740843 /nfs/dbraw/zinc/74/08/43/570740843.db2.gz MAKGRQMFNNEEKW-KTKRTIGZSA-N 0 0 379.541 5.631 40 30 GKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000006608895 570747789 /nfs/dbraw/zinc/74/77/89/570747789.db2.gz DTWUTUZCMRSLRD-FOKLQQMPSA-N 0 0 389.484 5.231 40 30 GKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)ccc1Cl ZINC000008811474 570750473 /nfs/dbraw/zinc/75/04/73/570750473.db2.gz ARSZSOCYQOMRHW-SSDVNMTOSA-N 0 0 390.226 5.285 40 30 GKEBRN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 ZINC000007449879 570759264 /nfs/dbraw/zinc/75/92/64/570759264.db2.gz PDQCRFGWDAUEAT-LJQANCHMSA-N 0 0 376.308 6.259 40 30 GKEBRN Cc1nn2c(c1-c1ccccc1)N=C1CC(C)(C)CC(=O)C1[C@H]2c1ccccc1 ZINC000008559394 570770825 /nfs/dbraw/zinc/77/08/25/570770825.db2.gz LHSCMIJUGVNDHC-HSZRJFAPSA-N 0 0 383.495 5.517 40 30 GKEBRN N#CCc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000013687572 570774719 /nfs/dbraw/zinc/77/47/19/570774719.db2.gz BTUGAEUYHCQVHE-UHFFFAOYSA-N 0 0 376.843 5.237 40 30 GKEBRN Cc1nn2c(nc(N)c(C#N)c2-c2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC000005678001 570795305 /nfs/dbraw/zinc/79/53/05/570795305.db2.gz ZHIVTLFFQCJETN-UHFFFAOYSA-N 0 0 394.265 5.132 40 30 GKEBRN Clc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000010118788 570806517 /nfs/dbraw/zinc/80/65/17/570806517.db2.gz VPOQFCHRRZJEMS-FOKLQQMPSA-N 0 0 379.674 6.031 40 30 GKEBRN FC(F)(F)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 ZINC000010118796 570806750 /nfs/dbraw/zinc/80/67/50/570806750.db2.gz JQUKNSUPGQZOMJ-BRJLIKDPSA-N 0 0 378.781 5.743 40 30 GKEBRN Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)nc12 ZINC000001223896 570820538 /nfs/dbraw/zinc/82/05/38/570820538.db2.gz LVTTVPABHFOEOA-UHFFFAOYSA-N 0 0 381.888 5.108 40 30 GKEBRN Cc1ccc(C)c2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc12 ZINC000001223959 570820618 /nfs/dbraw/zinc/82/06/18/570820618.db2.gz YWWAVOIRZZFNFJ-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1 ZINC000014126684 570876682 /nfs/dbraw/zinc/87/66/82/570876682.db2.gz QHQZLRBLHHNOBU-UHFFFAOYSA-N 0 0 399.947 5.606 40 30 GKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccc(F)cc1 ZINC000014163638 570878938 /nfs/dbraw/zinc/87/89/38/570878938.db2.gz SLVPOGYBKJKAAY-QKFKETGDSA-N 0 0 387.458 5.266 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc2c(c1)OCO2 ZINC000014671915 570894433 /nfs/dbraw/zinc/89/44/33/570894433.db2.gz FSSUYOUFHOFOSK-NRFANRHFSA-N 0 0 379.481 5.317 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc2c(c1)OCO2 ZINC000014671914 570894439 /nfs/dbraw/zinc/89/44/39/570894439.db2.gz FSSUYOUFHOFOSK-OAQYLSRUSA-N 0 0 379.481 5.317 40 30 GKEBRN C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222721368 570902138 /nfs/dbraw/zinc/90/21/38/570902138.db2.gz YIRGGMDOJLNLEE-UHFFFAOYSA-N 0 0 382.312 5.430 40 30 GKEBRN C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000222721276 570902713 /nfs/dbraw/zinc/90/27/13/570902713.db2.gz VIVBMBXOGGXTBP-UHFFFAOYSA-N 0 0 382.312 5.430 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1ccccc1 ZINC000016185333 570911717 /nfs/dbraw/zinc/91/17/17/570911717.db2.gz AZDMXYVIMIMKPS-PVTBXJRFSA-N 0 0 386.904 5.363 40 30 GKEBRN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000118916191 570920907 /nfs/dbraw/zinc/92/09/07/570920907.db2.gz LJUDTXPEYPVAHO-AYMFZYFGSA-N 0 0 392.583 6.690 40 30 GKEBRN Cc1ccc(C(=O)C=CNc2cc(Cl)ccc2C(=O)c2ccccc2)cc1 ZINC000016291714 570921071 /nfs/dbraw/zinc/92/10/71/570921071.db2.gz QMISOLKEWSAOEC-YPKPFQOOSA-N 0 0 375.855 5.688 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(F)c1)C2=O ZINC000118916335 570921259 /nfs/dbraw/zinc/92/12/59/570921259.db2.gz JPKPGSNREZFIQX-YHHICNLSSA-N 0 0 394.530 5.712 40 30 GKEBRN O/N=C1\Cc2ccccc2[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492226 570926556 /nfs/dbraw/zinc/92/65/56/570926556.db2.gz IOGZLUHQFDQWKE-SLSCBCEPSA-N 0 0 398.487 6.228 40 30 GKEBRN C=CCOc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000044883949 570929017 /nfs/dbraw/zinc/92/90/17/570929017.db2.gz ADGNOMSWHAPVSY-UHFFFAOYSA-N 0 0 382.312 5.430 40 30 GKEBRN C=CCOc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000044902458 570929144 /nfs/dbraw/zinc/92/91/44/570929144.db2.gz DWVSZYQEPUIPCG-UHFFFAOYSA-N 0 0 382.312 5.430 40 30 GKEBRN CCN(CC)c1ccc(/N=C2\C(C)=Nn3c4cc(Cl)ccc4nc32)c(C)c1 ZINC000016678175 570930296 /nfs/dbraw/zinc/93/02/96/570930296.db2.gz UGWKBHLZWLXDAW-BSYVCWPDSA-N 0 0 379.895 5.203 40 30 GKEBRN Oc1ccccc1/C=N\N=C(\C=C/c1ccccc1Cl)c1ccc(F)cc1 ZINC000016922742 570935156 /nfs/dbraw/zinc/93/51/56/570935156.db2.gz PQAZVBGWMZXENT-VXBGRJTNSA-N 0 0 378.834 5.721 40 30 GKEBRN C(=N\N=C1c2ccccc2-c2ccccc21)\c1cccc(OCc2ccccc2)c1 ZINC000016921104 570935324 /nfs/dbraw/zinc/93/53/24/570935324.db2.gz 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381.819 5.273 40 30 GKEBRN O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000059463568 230945057 /nfs/dbraw/zinc/94/50/57/230945057.db2.gz QCADQDXMEUUUAD-HZHRSRAPSA-N 0 0 385.448 6.136 40 30 GKEBRN C[C@H]1CCc2c(c(C#N)c(S[C@@H]3CCCCC3=O)nc2-c2ccccc2)C1 ZINC000095117612 230974450 /nfs/dbraw/zinc/97/44/50/230974450.db2.gz WQKZEWZCQGTVCD-YCRPNKLZSA-N 0 0 376.525 5.349 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116585 231004475 /nfs/dbraw/zinc/00/44/75/231004475.db2.gz GOHMLOVPJVGGNG-CIAFOILYSA-N 0 0 398.260 5.515 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000100138536 231004698 /nfs/dbraw/zinc/00/46/98/231004698.db2.gz ZQYKEIWILULZMA-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC000106897516 231019390 /nfs/dbraw/zinc/01/93/90/231019390.db2.gz NAPMFEQZKSODNJ-JXMROGBWSA-N 0 0 383.787 5.413 40 30 GKEBRN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)s1 ZINC000252494896 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BGYKGMGRLZPZOL-FSJBWODESA-N 0 0 399.281 6.069 40 30 GKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000408692655 231095757 /nfs/dbraw/zinc/09/57/57/231095757.db2.gz RRIOUZCDUWTLSD-YDZHTSKRSA-N 0 0 378.863 5.724 40 30 GKEBRN Oc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000408723417 231105487 /nfs/dbraw/zinc/10/54/87/231105487.db2.gz UGBWVMNPOAXSOV-ZVHZXABRSA-N 0 0 390.895 6.587 40 30 GKEBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c(C)c1 ZINC000408621165 231083715 /nfs/dbraw/zinc/08/37/15/231083715.db2.gz KANZSWIDBPXMHQ-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN N#Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c(F)c1 ZINC000408627963 231088010 /nfs/dbraw/zinc/08/80/10/231088010.db2.gz OUDNKKMMMNCHLC-UHFFFAOYSA-N 0 0 390.805 5.146 40 30 GKEBRN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C ZINC000408629153 231089884 /nfs/dbraw/zinc/08/98/84/231089884.db2.gz MKGTYFSHYDOMPF-MRXNPFEDSA-N 0 0 396.556 5.405 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000408660454 231092272 /nfs/dbraw/zinc/09/22/72/231092272.db2.gz QABLDWAJPIDSQC-VGOFMYFVSA-N 0 0 389.407 5.079 40 30 GKEBRN Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408816999 231118270 /nfs/dbraw/zinc/11/82/70/231118270.db2.gz KLIYQCBWRXXCBL-SANMLTNESA-N 0 0 378.475 6.005 40 30 GKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 ZINC000408818864 231118274 /nfs/dbraw/zinc/11/82/74/231118274.db2.gz YPTNXWSTKXJGPX-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1sc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C#N)c1C ZINC000408816269 231118795 /nfs/dbraw/zinc/11/87/95/231118795.db2.gz JFIXHZQVDQXJOW-WYMPLXKRSA-N 0 0 380.900 6.220 40 30 GKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 ZINC000408818108 231119049 /nfs/dbraw/zinc/11/90/49/231119049.db2.gz ZHVZEMIXKUMCSK-ZDLGFXPLSA-N 0 0 381.888 5.032 40 30 GKEBRN Fc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl ZINC000408844584 231120842 /nfs/dbraw/zinc/12/08/42/231120842.db2.gz KJPSDWMBSBMVRS-FZSIALSZSA-N 0 0 381.426 5.348 40 30 GKEBRN CCOc1ccccc1/N=C\c1c(Br)c(C)n(-c2ccccc2)c1C ZINC000408844644 231120873 /nfs/dbraw/zinc/12/08/73/231120873.db2.gz IEJJGIZCEBKGPX-UCQKPKSFSA-N 0 0 397.316 6.006 40 30 GKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 ZINC000408850495 231121348 /nfs/dbraw/zinc/12/13/48/231121348.db2.gz OCTCQWCMLNVXAR-ZUPRSBLPSA-N 0 0 377.513 5.264 40 30 GKEBRN Cc1cc(I)ccc1/N=C\c1cccn1-c1ccccc1 ZINC000408852040 231121513 /nfs/dbraw/zinc/12/15/13/231121513.db2.gz QJVHRAWEXFJVAP-MOSHPQCFSA-N 0 0 386.236 5.141 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 ZINC000408856443 231122651 /nfs/dbraw/zinc/12/26/51/231122651.db2.gz KBTZSCZMSBXGMG-OYKKKHCWSA-N 0 0 378.472 5.769 40 30 GKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 ZINC000408866560 231122824 /nfs/dbraw/zinc/12/28/24/231122824.db2.gz HECLBORAOHEZMI-YPITWCRTSA-N 0 0 392.524 5.575 40 30 GKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 ZINC000408868769 231123703 /nfs/dbraw/zinc/12/37/03/231123703.db2.gz BGTDDASQEUGZTG-HLPMKXTMSA-N 0 0 382.554 5.931 40 30 GKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 ZINC000408868773 231124003 /nfs/dbraw/zinc/12/40/03/231124003.db2.gz BGTDDASQEUGZTG-YYKCHOOESA-N 0 0 382.554 5.931 40 30 GKEBRN O=C1/C(=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408907851 231128016 /nfs/dbraw/zinc/12/80/16/231128016.db2.gz PIEGCYKQBTUUDD-KEOPVFRESA-N 0 0 384.504 5.533 40 30 GKEBRN O=C1/C(=C\c2cccc(O)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408907059 231128026 /nfs/dbraw/zinc/12/80/26/231128026.db2.gz LIOYQLJSAYMMQH-NVZLDUMVSA-N 0 0 386.476 5.196 40 30 GKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 ZINC000408906976 231128372 /nfs/dbraw/zinc/12/83/72/231128372.db2.gz FMDFTTVBIPEDLU-YVASXTLYSA-N 0 0 390.533 6.113 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccc3ccccc3c2)cc1 ZINC000408908831 231129014 /nfs/dbraw/zinc/12/90/14/231129014.db2.gz DJIFEZMIJLHJDK-XYGWBWBKSA-N 0 0 397.434 5.773 40 30 GKEBRN Cc1ccc(Sc2oc(/C=N/c3cccc(F)c3)cc2Br)cc1 ZINC000408911942 231129364 /nfs/dbraw/zinc/12/93/64/231129364.db2.gz PAKNFRGCDNROKA-SRZZPIQSSA-N 0 0 390.277 6.391 40 30 GKEBRN Cc1ccc(Sc2oc(/C=N\c3cccc(O)c3)cc2Br)cc1 ZINC000408910513 231129420 /nfs/dbraw/zinc/12/94/20/231129420.db2.gz KRXBCHADAMGHMR-JAIQZWGSSA-N 0 0 388.286 5.958 40 30 GKEBRN CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408737345 231108788 /nfs/dbraw/zinc/10/87/88/231108788.db2.gz CCIQXOJFVOXADR-OEAKJJBVSA-N 0 0 397.316 6.006 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738960 231109655 /nfs/dbraw/zinc/10/96/55/231109655.db2.gz QMFMQWOSLJLZHL-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738536 231109803 /nfs/dbraw/zinc/10/98/03/231109803.db2.gz LQJIQYVVZFZTRC-CIAFOILYSA-N 0 0 398.260 5.515 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1C1CCCCC1 ZINC000408741489 231110427 /nfs/dbraw/zinc/11/04/27/231110427.db2.gz QAVQIMVIBPJNAB-STZFKDTASA-N 0 0 393.556 5.810 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)nc1 ZINC000408749368 231110914 /nfs/dbraw/zinc/11/09/14/231110914.db2.gz GFRXVVCLZVTELQ-AWQFTUOYSA-N 0 0 377.187 5.003 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cc(Cl)ccc3Cl)o2)nc1 ZINC000408750966 231112065 /nfs/dbraw/zinc/11/20/65/231112065.db2.gz UPWSWGGBGYRJCU-UKWGHVSLSA-N 0 0 377.187 5.003 40 30 GKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1cccc(C)c1 ZINC000408765334 231112750 /nfs/dbraw/zinc/11/27/50/231112750.db2.gz VJWRGJPIWOHTHS-QRVIBDJDSA-N 0 0 381.317 6.224 40 30 GKEBRN COc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408800109 231115495 /nfs/dbraw/zinc/11/54/95/231115495.db2.gz KNQNUNXYKILDTE-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O ZINC000408911163 231129589 /nfs/dbraw/zinc/12/95/89/231129589.db2.gz JGWSNGDTGHSVTQ-OCIPIQTLSA-N 0 0 380.513 5.272 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000408808966 231116355 /nfs/dbraw/zinc/11/63/55/231116355.db2.gz GOIBSCICCAKIAR-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408804697 231116523 /nfs/dbraw/zinc/11/65/23/231116523.db2.gz GRWGBOLMQVRDNV-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)S1 ZINC000408960481 231135796 /nfs/dbraw/zinc/13/57/96/231135796.db2.gz MBGFCCGMEHLDSD-UYRXBGFRSA-N 0 0 397.931 5.140 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCCCC4)cc3C)S2)cc1 ZINC000408963188 231135836 /nfs/dbraw/zinc/13/58/36/231135836.db2.gz XRQHBUSTENPGPJ-RCCKNPSSSA-N 0 0 391.540 5.185 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)S2)cc1 ZINC000408962390 231136113 /nfs/dbraw/zinc/13/61/13/231136113.db2.gz HZRLXADPRWRKNA-KGENOOAVSA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408965496 231137518 /nfs/dbraw/zinc/13/75/18/231137518.db2.gz HZKZDCFBIOKTDJ-QRQIAZFYSA-N 0 0 375.475 6.546 40 30 GKEBRN Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967696 231138030 /nfs/dbraw/zinc/13/80/30/231138030.db2.gz RTCUEATWNMRCKC-MYYYXRDXSA-N 0 0 389.499 6.359 40 30 GKEBRN N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccc3Cl)cc1)CCCC2 ZINC000408979752 231140889 /nfs/dbraw/zinc/14/08/89/231140889.db2.gz OIMQYEBFVSHSPV-UHFFFAOYSA-N 0 0 389.886 5.144 40 30 GKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)o1 ZINC000408978050 231141098 /nfs/dbraw/zinc/14/10/98/231141098.db2.gz XXCLNNMBTINGGC-ZVHZXABRSA-N 0 0 387.508 6.441 40 30 GKEBRN Oc1ccc(Cl)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408979230 231141160 /nfs/dbraw/zinc/14/11/60/231141160.db2.gz QGGZZURTKHMJTE-ZMOGYAJESA-N 0 0 396.943 6.967 40 30 GKEBRN N#Cc1ccc(-c2ccc(/C=N\c3ccccc3I)o2)cc1 ZINC000409016070 231146532 /nfs/dbraw/zinc/14/65/32/231146532.db2.gz BQRDHIAXNACYRX-MTJSOVHGSA-N 0 0 398.203 5.173 40 30 GKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S1 ZINC000409022205 231147683 /nfs/dbraw/zinc/14/76/83/231147683.db2.gz JCTNAALGHNWOEJ-NDENLUEZSA-N 0 0 385.448 5.018 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cc(Cl)cc(Cl)c1Cl ZINC000409032429 231149435 /nfs/dbraw/zinc/14/94/35/231149435.db2.gz JKZBKLKGHSMHLX-OSSHXBFKSA-N 0 0 391.501 5.361 40 30 GKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1C(C)C ZINC000409036983 231149559 /nfs/dbraw/zinc/14/95/59/231149559.db2.gz MOIJKIRKJPCVQE-KTZMUZOWSA-N 0 0 383.311 5.245 40 30 GKEBRN O=[N+]([O-])c1cc(F)ccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000409038177 231149784 /nfs/dbraw/zinc/14/97/84/231149784.db2.gz UWQKMQWXYFLEPJ-KEBDBYFISA-N 0 0 382.376 5.050 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1c2ccccc2cc2ccccc21 ZINC000409038962 231150761 /nfs/dbraw/zinc/15/07/61/231150761.db2.gz WGMQRDVZVFWWIQ-KALUYTGESA-N 0 0 388.286 5.707 40 30 GKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1ccc(Br)cc1 ZINC000409055093 231152174 /nfs/dbraw/zinc/15/21/74/231152174.db2.gz JRTRRQATIJKNCH-CCEZHUSRSA-N 0 0 394.268 6.050 40 30 GKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408914564 231130286 /nfs/dbraw/zinc/13/02/86/231130286.db2.gz OELAMPNGUBPBDW-FTJNEJEMSA-N 0 0 390.552 6.240 40 30 GKEBRN Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1 ZINC000408914296 231130878 /nfs/dbraw/zinc/13/08/78/231130878.db2.gz PCJHLSIDXSEIIZ-UHFFFAOYSA-N 0 0 377.443 5.461 40 30 GKEBRN O=[N+]([O-])c1ccccc1-c1ccc(C=NNc2ccc(C(F)(F)F)cc2)o1 ZINC000408931902 231133134 /nfs/dbraw/zinc/13/31/34/231133134.db2.gz RUNWDVOWWUFTOP-SSDVNMTOSA-N 0 0 375.306 5.320 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000408932381 231133284 /nfs/dbraw/zinc/13/32/84/231133284.db2.gz WLUNNFHCXPHORJ-NLRVBDNBSA-N 0 0 386.495 5.161 40 30 GKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000408932498 231133339 /nfs/dbraw/zinc/13/33/39/231133339.db2.gz CPFLZCHCXBTPLN-ZMFRSBBQSA-N 0 0 382.389 5.431 40 30 GKEBRN Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(N(C)C)cc1 ZINC000408949537 231133668 /nfs/dbraw/zinc/13/36/68/231133668.db2.gz BIOGAEJFZAPPLS-HMAPJEAMSA-N 0 0 382.305 5.365 40 30 GKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408938969 231134004 /nfs/dbraw/zinc/13/40/04/231134004.db2.gz LMVPMVHULOOKQJ-IJTPSOPVSA-N 0 0 394.518 6.662 40 30 GKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408939426 231134205 /nfs/dbraw/zinc/13/42/05/231134205.db2.gz MLZDFEZCSWUXSD-OCMSHMNRSA-N 0 0 380.491 6.272 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408953560 231134577 /nfs/dbraw/zinc/13/45/77/231134577.db2.gz OPSQHPBOLYCPRT-LYTWXAMNSA-N 0 0 380.491 6.272 40 30 GKEBRN Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)cc1C ZINC000408959566 231134833 /nfs/dbraw/zinc/13/48/33/231134833.db2.gz BBMUGQYWLZZDLZ-IRZHRRCCSA-N 0 0 391.540 5.137 40 30 GKEBRN CCn1c(C)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C ZINC000408960109 231134975 /nfs/dbraw/zinc/13/49/75/231134975.db2.gz BVAQTVMOKVGRNH-OQLLNIDSSA-N 0 0 394.327 5.323 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O ZINC000409161373 231172699 /nfs/dbraw/zinc/17/26/99/231172699.db2.gz UFPDBZPZSZUOJY-OVCLIPMQSA-N 0 0 389.263 5.102 40 30 GKEBRN Cc1ccc(C(=O)C=CNc2ccc(Br)cc2Br)cc1 ZINC000409061414 231152831 /nfs/dbraw/zinc/15/28/31/231152831.db2.gz ZOXYWWSYYRYXIC-CMDGGOBGSA-N 0 0 395.094 5.329 40 30 GKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1Cl ZINC000409060493 231153406 /nfs/dbraw/zinc/15/34/06/231153406.db2.gz WJDCBCPOLVAFIV-OUKQBFOZSA-N 0 0 384.262 6.594 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccccc1C ZINC000409065506 231153777 /nfs/dbraw/zinc/15/37/77/231153777.db2.gz SVRWYUAQYFOHQK-STZFKDTASA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(Cl)c1 ZINC000409067452 231154366 /nfs/dbraw/zinc/15/43/66/231154366.db2.gz YEWCDZWMPRCOSI-MXAYSNPKSA-N 0 0 393.943 6.310 40 30 GKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1O ZINC000409082140 231156073 /nfs/dbraw/zinc/15/60/73/231156073.db2.gz RENBKEQVVZIESG-MXAYSNPKSA-N 0 0 381.903 5.970 40 30 GKEBRN Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000409077461 231156178 /nfs/dbraw/zinc/15/61/78/231156178.db2.gz FGIPQRFPSNWJKM-WJNWYLSZSA-N 0 0 375.541 6.013 40 30 GKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc2n1C ZINC000409086330 231156997 /nfs/dbraw/zinc/15/69/97/231156997.db2.gz QIICLSNEXSVDLU-HEOQCTJZSA-N 0 0 389.568 6.322 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000409093710 231158110 /nfs/dbraw/zinc/15/81/10/231158110.db2.gz BFOFJDBWCHJGKP-AFUMVMLFSA-N 0 0 394.902 6.467 40 30 GKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cl)cc1 ZINC000409097185 231159174 /nfs/dbraw/zinc/15/91/74/231159174.db2.gz LPQGJQGRMSSTNR-BUHFOSPRSA-N 0 0 384.262 6.594 40 30 GKEBRN N#Cc1ccccc1COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000409099747 231159851 /nfs/dbraw/zinc/15/98/51/231159851.db2.gz LJJNSPPGFNTIGQ-XKZIYDEJSA-N 0 0 384.460 5.223 40 30 GKEBRN Fc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)ccc1N1CCCC1 ZINC000409099876 231160050 /nfs/dbraw/zinc/16/00/50/231160050.db2.gz MJXPESXQYWOALH-WGOQTCKBSA-N 0 0 394.877 6.622 40 30 GKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409101519 231160679 /nfs/dbraw/zinc/16/06/79/231160679.db2.gz XYHNUOXVWUAKSF-NLRVBDNBSA-N 0 0 386.495 5.722 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000409105534 231161773 /nfs/dbraw/zinc/16/17/73/231161773.db2.gz KVCFSZTYXKCQNX-MFKUBSTISA-N 0 0 398.422 5.168 40 30 GKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1NC(=O)c1ccccc1 ZINC000409199997 231177975 /nfs/dbraw/zinc/17/79/75/231177975.db2.gz GJFNZRQDCIZLDU-XKZIYDEJSA-N 0 0 396.288 5.002 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cc(C)ccc2C)cc1 ZINC000409199851 231178010 /nfs/dbraw/zinc/17/80/10/231178010.db2.gz DRMCFHRZWJRQPQ-OGLMXYFKSA-N 0 0 379.503 7.095 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000409200088 231178060 /nfs/dbraw/zinc/17/80/60/231178060.db2.gz GLNISRDMPHPVII-QRVIBDJDSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)c1 ZINC000409203714 231178879 /nfs/dbraw/zinc/17/88/79/231178879.db2.gz XJXLRKRYXAAQOY-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)cc1 ZINC000409201418 231179583 /nfs/dbraw/zinc/17/95/83/231179583.db2.gz MVSWGUZEEBBHQY-OGLMXYFKSA-N 0 0 379.503 7.095 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1C ZINC000409208083 231179937 /nfs/dbraw/zinc/17/99/37/231179937.db2.gz ARZKNWBUMOIDCB-OYKKKHCWSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000409208566 231179961 /nfs/dbraw/zinc/17/99/61/231179961.db2.gz CKHUSIAVTVBHLR-HMAPJEAMSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(C)c(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000409212700 231181155 /nfs/dbraw/zinc/18/11/55/231181155.db2.gz PPIMDEFGMXDXPU-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc32)cc1C ZINC000409211581 231181164 /nfs/dbraw/zinc/18/11/64/231181164.db2.gz OLUCMAWHLZVXGJ-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409212209 231181205 /nfs/dbraw/zinc/18/12/05/231181205.db2.gz NYNJQHFLLPPFRM-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 ZINC000409210421 231181214 /nfs/dbraw/zinc/18/12/14/231181214.db2.gz JUPQDFDMIGUCLD-ZVHZXABRSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 ZINC000409212292 231181478 /nfs/dbraw/zinc/18/14/78/231181478.db2.gz OPDKCTZUVQXDEX-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C ZINC000409211873 231181519 /nfs/dbraw/zinc/18/15/19/231181519.db2.gz OKQAWUJJJIRWDL-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2C)cc1 ZINC000409210862 231181579 /nfs/dbraw/zinc/18/15/79/231181579.db2.gz LGJIPXPXNGEFGZ-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc2ccccc21 ZINC000409212750 231181691 /nfs/dbraw/zinc/18/16/91/231181691.db2.gz QOFXCSJLRSJFDL-OGLMXYFKSA-N 0 0 395.502 6.795 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)c1 ZINC000409217293 231182333 /nfs/dbraw/zinc/18/23/33/231182333.db2.gz OSTIJBRTFQZAIZ-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409215721 231182498 /nfs/dbraw/zinc/18/24/98/231182498.db2.gz AJGFKBTXYZSJOZ-ZMOGYAJESA-N 0 0 394.858 6.195 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3cccc(Br)c3)cc2)cc1 ZINC000409228342 231183062 /nfs/dbraw/zinc/18/30/62/231183062.db2.gz XPGWOHFDZVNYIR-HYARGMPZSA-N 0 0 382.326 6.659 40 30 GKEBRN Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1Cl ZINC000409228892 231183127 /nfs/dbraw/zinc/18/31/27/231183127.db2.gz GRVDUCGDONSJGC-WGARJPEWSA-N 0 0 376.862 6.541 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000409238539 231185151 /nfs/dbraw/zinc/18/51/51/231185151.db2.gz 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COc1cccc(C(=O)C=CNc2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000409099626 533391410 /nfs/dbraw/zinc/39/14/10/533391410.db2.gz OWYYOZQVXOFICE-BUHFOSPRSA-N 0 0 379.843 5.949 40 30 GKEBRN COc1cc(C=NNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000005417626 533483021 /nfs/dbraw/zinc/48/30/21/533483021.db2.gz CBLBYCJIVULECS-ZMOGYAJESA-N 0 0 384.838 5.513 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409212975 533483058 /nfs/dbraw/zinc/48/30/58/533483058.db2.gz NRUGTTZFJNKHBD-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000409210036 533483066 /nfs/dbraw/zinc/48/30/66/533483066.db2.gz KMXPSLABNQNYQQ-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN COc1cc(C=NNc2ccnc3cc(Cl)ccc32)ccc1OCCC(C)C ZINC000006245519 533483505 /nfs/dbraw/zinc/48/35/05/533483505.db2.gz BYIUEYZUTGJAIG-AFUMVMLFSA-N 0 0 397.906 5.768 40 30 GKEBRN COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1OC ZINC000408549811 533565040 /nfs/dbraw/zinc/56/50/40/533565040.db2.gz ZMFBCFNEEWTEES-ZVHZXABRSA-N 0 0 381.859 6.209 40 30 GKEBRN COc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C ZINC000409095856 533565392 /nfs/dbraw/zinc/56/53/92/533565392.db2.gz DQOWLLQFSGIBND-AUEPDCJTSA-N 0 0 395.381 5.500 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 ZINC000409064746 533676554 /nfs/dbraw/zinc/67/65/54/533676554.db2.gz FBMDILISONIVCQ-LPYMAVHISA-N 0 0 382.803 5.800 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000409086926 533676667 /nfs/dbraw/zinc/67/66/67/533676667.db2.gz HYICRRNBTUEJDQ-XIEYBQDHSA-N 0 0 388.467 5.075 40 30 GKEBRN N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(Cl)cc1)c1ccc3ccccc3c1O2 ZINC000022145488 221554028 /nfs/dbraw/zinc/55/40/28/221554028.db2.gz ZWFCJBALHHWLJY-GOSISDBHSA-N 0 0 398.853 5.210 40 30 GKEBRN O/N=C1/CCCCCC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100938983 222465458 /nfs/dbraw/zinc/46/54/58/222465458.db2.gz JSXAOWJDWBUNRJ-TTWQBBKJSA-N 0 0 392.524 6.654 40 30 GKEBRN Cc1c(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c2ccccc2n1C ZINC000408817632 533701689 /nfs/dbraw/zinc/70/16/89/533701689.db2.gz YCFXHNHTRNAIRW-WQRHYEAKSA-N 0 0 381.888 5.032 40 30 GKEBRN Cc1c(Br)c(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccccc1 ZINC000059104726 533707456 /nfs/dbraw/zinc/70/74/56/533707456.db2.gz WTWUCBDALPKGOR-ZVHZXABRSA-N 0 0 395.344 6.731 40 30 GKEBRN COC(=O)c1cc(-c2ccc(/C=N/c3oc(C)c(C)c3C#N)o2)ccc1Cl ZINC000408956952 533714187 /nfs/dbraw/zinc/71/41/87/533714187.db2.gz RWIFDLIPJBWCBK-AUEPDCJTSA-N 0 0 382.803 5.219 40 30 GKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2ccccc2C#N)c1C ZINC000408595990 533830776 /nfs/dbraw/zinc/83/07/76/533830776.db2.gz YMIHKHFLUWBOJJ-DHRITJCHSA-N 0 0 393.874 5.179 40 30 GKEBRN COc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409077371 533835370 /nfs/dbraw/zinc/83/53/70/533835370.db2.gz DWYMZSWZHBYHHK-HZZGJGATSA-N 0 0 386.948 6.183 40 30 GKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 ZINC000408862435 533867192 /nfs/dbraw/zinc/86/71/92/533867192.db2.gz YVJXVHPFMXJKNC-NVNXTCNLSA-N 0 0 397.258 5.033 40 30 GKEBRN COC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409236410 533964235 /nfs/dbraw/zinc/96/42/35/533964235.db2.gz FTKYQYCYGRQPSN-YSMPRRRNSA-N 0 0 386.426 5.366 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000408931355 533965032 /nfs/dbraw/zinc/96/50/32/533965032.db2.gz KNAKSLAUWDECKI-DHRITJCHSA-N 0 0 386.373 5.342 40 30 GKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408591572 534015001 /nfs/dbraw/zinc/01/50/01/534015001.db2.gz UYJJRNJCJDCQJM-FOKLQQMPSA-N 0 0 398.297 5.723 40 30 GKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1C ZINC000408592634 534014255 /nfs/dbraw/zinc/01/42/55/534014255.db2.gz ZVLSGHMVNIYIHW-FSJBWODESA-N 0 0 377.879 5.378 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000409100579 534014585 /nfs/dbraw/zinc/01/45/85/534014585.db2.gz UZQSTJNXYBGLHV-KBKYJPHKSA-N 0 0 386.421 5.571 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2ncccc2c1 ZINC000408591885 534016517 /nfs/dbraw/zinc/01/65/17/534016517.db2.gz KZBYWEIVBBPTKS-JFLMPSFJSA-N 0 0 380.451 5.065 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ccccc2c1 ZINC000408589634 534016723 /nfs/dbraw/zinc/01/67/23/534016723.db2.gz FFBVSPFFEMWLDV-MFKUBSTISA-N 0 0 399.450 5.706 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408588433 534016928 /nfs/dbraw/zinc/01/69/28/534016928.db2.gz BNJURNHDQFLNGU-BRJLIKDPSA-N 0 0 381.838 5.309 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408782058 534016938 /nfs/dbraw/zinc/01/69/38/534016938.db2.gz FQTIXWAXCBBMHY-WPWMEQJKSA-N 0 0 390.958 7.546 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(C)c1C ZINC000408592190 534017022 /nfs/dbraw/zinc/01/70/22/534017022.db2.gz LODQSMQDGRWSBX-YDZHTSKRSA-N 0 0 377.444 5.170 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116564 534017041 /nfs/dbraw/zinc/01/70/41/534017041.db2.gz APLZQGAMQFVIHY-SRZZPIQSSA-N 0 0 398.806 5.315 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408590756 534017115 /nfs/dbraw/zinc/01/71/15/534017115.db2.gz HTPVTRYGHFNZGT-ZVHZXABRSA-N 0 0 391.471 5.676 40 30 GKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966218 534017201 /nfs/dbraw/zinc/01/72/01/534017201.db2.gz KNLFPGPKUUATJP-VULFUBBASA-N 0 0 382.910 6.935 40 30 GKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 ZINC000408803005 534083823 /nfs/dbraw/zinc/08/38/23/534083823.db2.gz KIDWQQLVCNLLFH-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1 ZINC000408908278 534104368 /nfs/dbraw/zinc/10/43/68/534104368.db2.gz RCUZEAWTBPCDQQ-CHKQLSMDSA-N 0 0 385.492 5.447 40 30 GKEBRN Cc1ccc(-c2cc(/N=C/c3ccc(C(C)C)cc3)n(-c3ccccc3)n2)cc1 ZINC000408736890 534165134 /nfs/dbraw/zinc/16/51/34/534165134.db2.gz BNTPIXGVBIQPIL-OVVQPSECSA-N 0 0 379.507 6.722 40 30 GKEBRN Cc1ccc(-c2cc(/N=C/c3ccc4c(c3)OCO4)n(-c3ccc(C)cc3)n2)cc1 ZINC000100138113 534166124 /nfs/dbraw/zinc/16/61/24/534166124.db2.gz NSVZJYNTADTIMY-CVKSISIWSA-N 0 0 395.462 5.635 40 30 GKEBRN Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409094367 534239825 /nfs/dbraw/zinc/23/98/25/534239825.db2.gz DJVNWIUAAACKMM-BHGWPJFGSA-N 0 0 378.785 5.299 40 30 GKEBRN Cc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)c1 ZINC000409199406 534240138 /nfs/dbraw/zinc/24/01/38/534240138.db2.gz CMAYOAZAHBWHIR-DYEBMTOPSA-N 0 0 381.545 5.183 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408866579 534248017 /nfs/dbraw/zinc/24/80/17/534248017.db2.gz HEZXUUVVKVTWGX-KUSMGKJMSA-N 0 0 390.552 6.178 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1Cl ZINC000409209407 534251853 /nfs/dbraw/zinc/25/18/53/534251853.db2.gz GSMWUVLIPZCFEL-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000408907594 534251861 /nfs/dbraw/zinc/25/18/61/534251861.db2.gz BQDUABQZENWYGC-RERTVAKNSA-N 0 0 376.525 5.932 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C(C)C)cc1 ZINC000408912041 534251957 /nfs/dbraw/zinc/25/19/57/534251957.db2.gz KMPFSLLRYCFUCL-LBMUFILHSA-N 0 0 386.520 6.161 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1C ZINC000409199075 534251987 /nfs/dbraw/zinc/25/19/87/534251987.db2.gz BHAISWQXMDCDJM-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C)cc1 ZINC000408914845 534252017 /nfs/dbraw/zinc/25/20/17/534252017.db2.gz XZRXQRQOFQJIGB-DROWFBKHSA-N 0 0 377.296 5.536 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C ZINC000409202169 534252072 /nfs/dbraw/zinc/25/20/72/534252072.db2.gz PIXIYSPZAVHELJ-ZMOGYAJESA-N 0 0 394.858 6.195 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C(C)C)cc1 ZINC000408908495 534252094 /nfs/dbraw/zinc/25/20/94/534252094.db2.gz FHLOVWWYNQHEMF-GRUKXCDCSA-N 0 0 389.524 5.499 40 30 GKEBRN Cc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1[N+](=O)[O-] ZINC000409078680 534252147 /nfs/dbraw/zinc/25/21/47/534252147.db2.gz JFYWDNXOBXKVHT-QFEZKATASA-N 0 0 390.483 5.827 40 30 GKEBRN COC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409090076 534253251 /nfs/dbraw/zinc/25/32/51/534253251.db2.gz QHZPNEBSKQSADB-UCQKPKSFSA-N 0 0 381.884 6.028 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)cc3)c3ccccc32)c1 ZINC000408541220 534267137 /nfs/dbraw/zinc/26/71/37/534267137.db2.gz FIGRLQAWMOTUKN-CVKSISIWSA-N 0 0 382.463 5.535 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3cc(C)ccc3C)c3ccccc32)c1 ZINC000408543941 534267152 /nfs/dbraw/zinc/26/71/52/534267152.db2.gz QXXKWNLFTSVNSX-DICXZTSXSA-N 0 0 396.490 5.844 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccccc3OC)c3ccccc32)c1 ZINC000408544841 534267531 /nfs/dbraw/zinc/26/75/31/534267531.db2.gz XVONIMAVWSDMKJ-CVKSISIWSA-N 0 0 398.462 5.235 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3F)c3ccccc32)c1 ZINC000408544816 534267537 /nfs/dbraw/zinc/26/75/37/534267537.db2.gz VIKYYHCJBKWIBC-WGARJPEWSA-N 0 0 386.426 5.366 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3C)c3ccccc32)c1 ZINC000408543109 534267572 /nfs/dbraw/zinc/26/75/72/534267572.db2.gz PAQNNNYQXVDFQB-YSMPRRRNSA-N 0 0 382.463 5.535 40 30 GKEBRN COC(=O)c1ccccc1/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 ZINC000059501493 534286865 /nfs/dbraw/zinc/28/68/65/534286865.db2.gz DAPCXVZKLJQIAM-VULFUBBASA-N 0 0 384.479 5.361 40 30 GKEBRN Brc1ccc(/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1 ZINC000054363765 518209018 /nfs/dbraw/zinc/20/90/18/518209018.db2.gz WYOXZAZWZVJUTI-NMWGTECJSA-N 0 0 386.252 5.542 40 30 GKEBRN Brc1ccc(CO/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000012619176 518212098 /nfs/dbraw/zinc/21/20/98/518212098.db2.gz VYXNJWXKFKZHIY-OEAKJJBVSA-N 0 0 396.284 5.579 40 30 GKEBRN Brc1ccc2c(c1)Cc1cc(/N=C\c3ccc4c(c3)OCO4)ccc1-2 ZINC000104089599 518218627 /nfs/dbraw/zinc/21/86/27/518218627.db2.gz MYXUNBAEBOTUEL-KSEXSDGBSA-N 0 0 392.252 5.500 40 30 GKEBRN C(=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)\c1ccccc1 ZINC000017142836 518377887 /nfs/dbraw/zinc/37/78/87/518377887.db2.gz JPQTXMYLDHKELO-MWAVMZGNSA-N 0 0 399.493 8.031 40 30 GKEBRN C/C(=N/N=c1/sc2ccccc2n1C)c1ccc(Cl)c(Cl)c1Cl ZINC000033695291 518451693 /nfs/dbraw/zinc/45/16/93/518451693.db2.gz QURDNCBCLYLFAO-FZFUHZCNSA-N 0 0 384.719 5.525 40 30 GKEBRN CC(C)(C)C(=CNNc1ccccc1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004265485 518550076 /nfs/dbraw/zinc/55/00/76/518550076.db2.gz XSUZBZRFFXXIES-LGKZTXHJSA-N 0 0 397.737 6.559 40 30 GKEBRN CC(C)(C)C(=CNCc1ccccc1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004265482 518550904 /nfs/dbraw/zinc/55/09/04/518550904.db2.gz SCMCBUZIKAGQOV-NACSPRHISA-N 0 0 396.749 6.732 40 30 GKEBRN C=C(C)[C@@H](O)c1ccc2ccccc2c1-c1c2ccccc2ccc1[C@H](O)C(=C)C ZINC000095611704 518641931 /nfs/dbraw/zinc/64/19/31/518641931.db2.gz QGBNOLZBSXSVGL-VSGBNLITSA-N 0 0 394.514 6.879 40 30 GKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CCC(=O)C[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118915831 518644375 /nfs/dbraw/zinc/64/43/75/518644375.db2.gz JMNNBGGLFDJNBE-GHTPSREBSA-N 0 0 396.659 7.597 40 30 GKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC000019460725 518659556 /nfs/dbraw/zinc/65/95/56/518659556.db2.gz ZWMZPOYFNBNECF-WAIKUNEKSA-N 0 0 382.479 5.055 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000409030816 534378410 /nfs/dbraw/zinc/37/84/10/534378410.db2.gz FQOANQXVXZKBGU-FINSYCMTSA-N 0 0 388.670 5.314 40 30 GKEBRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224929255 518810473 /nfs/dbraw/zinc/81/04/73/518810473.db2.gz XIIDDSZHEUFTRP-UHFFFAOYSA-N 0 0 376.692 5.028 40 30 GKEBRN C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225058172 518812230 /nfs/dbraw/zinc/81/22/30/518812230.db2.gz FRCZTDLDMARMAN-UHFFFAOYSA-N 0 0 375.852 5.014 40 30 GKEBRN C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224929064 518815802 /nfs/dbraw/zinc/81/58/02/518815802.db2.gz MFYHPMFBIQAYGQ-UHFFFAOYSA-N 0 0 376.692 5.028 40 30 GKEBRN C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224604344 518818941 /nfs/dbraw/zinc/81/89/41/518818941.db2.gz GAXJUIDMXHNYBV-UHFFFAOYSA-N 0 0 393.508 5.134 40 30 GKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000020633271 518973734 /nfs/dbraw/zinc/97/37/34/518973734.db2.gz UJHIMNZDCFYXHP-HSZRJFAPSA-N 0 0 395.462 5.208 40 30 GKEBRN C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000226340155 518977676 /nfs/dbraw/zinc/97/76/76/518977676.db2.gz HZZUOFWNKDXWTD-UHFFFAOYSA-N 0 0 399.643 5.163 40 30 GKEBRN C=CCOc1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 ZINC000225500924 519041584 /nfs/dbraw/zinc/04/15/84/519041584.db2.gz DDVOICQJRLZTNA-OAQYLSRUSA-N 0 0 384.545 5.334 40 30 GKEBRN C=CCSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 ZINC000224192849 519090226 /nfs/dbraw/zinc/09/02/26/519090226.db2.gz YJJIBAIHRXUPOT-UHFFFAOYSA-N 0 0 399.566 5.361 40 30 GKEBRN C=CCc1ccc2ccc(/C=C/c3cc(Br)ccc3O)nc2c1O ZINC000008036193 519141138 /nfs/dbraw/zinc/14/11/38/519141138.db2.gz SAAWLDLZYVEVTJ-JXMROGBWSA-N 0 0 382.257 5.307 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccccc1Cl ZINC000102962675 519148155 /nfs/dbraw/zinc/14/81/55/519148155.db2.gz FKBJMJMLKLJCKL-RELWKKBWSA-N 0 0 395.742 6.595 40 30 GKEBRN C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000102938078 519149527 /nfs/dbraw/zinc/14/95/27/519149527.db2.gz WNPQZMUQUVPQNJ-JQRDNDPDSA-N 0 0 396.519 7.050 40 30 GKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1cccc(Cl)c1 ZINC000014091789 519192025 /nfs/dbraw/zinc/19/20/25/519192025.db2.gz UHJGTIIVHIFTTL-UHFFFAOYSA-N 0 0 385.920 5.009 40 30 GKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccccc1Cl ZINC000014091783 519192035 /nfs/dbraw/zinc/19/20/35/519192035.db2.gz FOKUHLVZWMXNNT-UHFFFAOYSA-N 0 0 385.920 5.009 40 30 GKEBRN CC(C)(CCCCC(C)(C)/C(=N/O)c1ccccc1)/C(=N/O)c1ccccc1 ZINC000018251692 519207725 /nfs/dbraw/zinc/20/77/25/519207725.db2.gz BDONFPPVLKFAKB-CDTUYSNOSA-N 0 0 380.532 6.356 40 30 GKEBRN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccc(Cl)c1 ZINC000016789172 519238751 /nfs/dbraw/zinc/23/87/51/519238751.db2.gz NJLZMLDBBXJPNV-UHFFFAOYSA-N 0 0 397.975 6.374 40 30 GKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000020672585 519369036 /nfs/dbraw/zinc/36/90/36/519369036.db2.gz OONSNXJRYWPZRX-XMMPIXPASA-N 0 0 395.462 5.707 40 30 GKEBRN CC(=O)N(/C(=N/c1ccc(C)cc1)c1cccc2ccccc21)c1ccc(C)cc1 ZINC000101547931 519437844 /nfs/dbraw/zinc/43/78/44/519437844.db2.gz GZYMHEXNKSJFCR-BYYHNAKLSA-N 0 0 392.502 6.588 40 30 GKEBRN CC(C)CC(=O)C1=C(N)C2=C(c3ccccc3)CC(c3ccccc3)=N[C@H]2S1 ZINC000095117476 519573782 /nfs/dbraw/zinc/57/37/82/519573782.db2.gz OTSZEYQCHPHPKW-URXFXBBRSA-N 0 0 388.536 5.048 40 30 GKEBRN CC(C)CC(=O)C1=C(N)C2=C(c3ccccc3)CC(c3ccccc3)=N[C@@H]2S1 ZINC000095117473 519574322 /nfs/dbraw/zinc/57/43/22/519574322.db2.gz OTSZEYQCHPHPKW-ZJSXRUAMSA-N 0 0 388.536 5.048 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000036434828 519645796 /nfs/dbraw/zinc/64/57/96/519645796.db2.gz IIPHPVVRBVBREZ-UXIWKSIVSA-N 0 0 384.648 7.453 40 30 GKEBRN CC(C)N1c2ccc(/C=N/c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C ZINC000223569064 519700099 /nfs/dbraw/zinc/70/00/99/519700099.db2.gz IBCZHUIZPNXMEZ-GCMSVZMUSA-N 0 0 399.376 6.700 40 30 GKEBRN CC(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000033377772 519834277 /nfs/dbraw/zinc/83/42/77/519834277.db2.gz POENUGCOMBBZNU-LSHDLFTRSA-N 0 0 390.339 6.686 40 30 GKEBRN Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408927790 534456122 /nfs/dbraw/zinc/45/61/22/534456122.db2.gz RGFNWZMRWQIBGS-OYKKKHCWSA-N 0 0 394.565 5.677 40 30 GKEBRN CCCCCC/C(C[C@H](SCC)c1ccccc1Cl)=N/NC(N)=S ZINC000017141704 519945122 /nfs/dbraw/zinc/94/51/22/519945122.db2.gz AJBTYTVSUDZURP-XESZTULISA-N 0 0 386.030 5.684 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC[NH2+]CCS(=O)(=O)[O-] ZINC000064858686 519970186 /nfs/dbraw/zinc/97/01/86/519970186.db2.gz XXWWMPQBFKPUSO-KTKRTIGZSA-N 0 0 375.619 5.501 40 30 in-vitro GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](C)CC(=O)N(C)C ZINC000104109703 519971913 /nfs/dbraw/zinc/97/19/13/519971913.db2.gz YPGHOOFZSDFRBX-OTDUKCBNSA-N 0 0 395.628 6.434 40 30 GKEBRN CCCCCCCCC(=O)Oc1c[nH]c2cc(Cl)c(Br)cc21 ZINC000002583755 519974087 /nfs/dbraw/zinc/97/40/87/519974087.db2.gz IDBLIPXDRLAWIR-UHFFFAOYSA-N 0 0 386.717 6.240 40 30 GKEBRN CCCCCCCCC/C=N/NC(=S)N/N=C\CCCCCCCCC ZINC000104376460 519974569 /nfs/dbraw/zinc/97/45/69/519974569.db2.gz UZHVXCIQANJNCQ-XOODDYIFSA-N 0 0 382.662 6.704 40 30 GKEBRN CCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100300354 519978791 /nfs/dbraw/zinc/97/87/91/519978791.db2.gz ZKPYPYMRRDEUDP-SFTDATJTSA-N 0 0 382.585 5.957 40 30 GKEBRN CCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100300356 519980372 /nfs/dbraw/zinc/98/03/72/519980372.db2.gz ZKPYPYMRRDEUDP-CBQGHPETSA-N 0 0 382.585 5.957 40 30 GKEBRN CCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)OC ZINC000100302387 519981761 /nfs/dbraw/zinc/98/17/61/519981761.db2.gz JDELEWMTVAEHAK-UHFFFAOYSA-N 0 0 396.656 7.941 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000100579772 519984282 /nfs/dbraw/zinc/98/42/82/519984282.db2.gz YAZGRUDOBYKMRS-UHFFFAOYSA-N 0 0 392.996 7.323 40 30 GKEBRN CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(=O)CCCCC ZINC000085482562 519986634 /nfs/dbraw/zinc/98/66/34/519986634.db2.gz NPRJSFWNFTXXQC-DRZTYOFYSA-N 0 0 397.644 5.662 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(Cl)c1 ZINC000098048081 519992112 /nfs/dbraw/zinc/99/21/12/519992112.db2.gz WCPTZUKRUPKUJO-UHFFFAOYSA-N 0 0 394.043 8.540 40 30 GKEBRN CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000100501551 519994037 /nfs/dbraw/zinc/99/40/37/519994037.db2.gz CVDOLGNPMWRXBI-QHCPKHFHSA-N 0 0 384.645 7.342 40 30 GKEBRN CCCCCCCCCCCCCCCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100309817 519999461 /nfs/dbraw/zinc/99/94/61/519999461.db2.gz GRJFMCXINURLLD-VXKWHMMOSA-N 0 0 377.613 6.643 40 30 GKEBRN CCCCCCCCCCCCCCCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100309813 519999576 /nfs/dbraw/zinc/99/95/76/519999576.db2.gz GRJFMCXINURLLD-SZPZYZBQSA-N 0 0 377.613 6.643 40 30 GKEBRN CCCCCCCCCCCCCCCC[C@@H](O)c1ccc2ccccc2c1 ZINC000104096470 520003424 /nfs/dbraw/zinc/00/34/24/520003424.db2.gz MWDWWTGEGYWXPF-HHHXNRCGSA-N 0 0 382.632 8.745 40 30 GKEBRN CCCCCCCCCCCCCCc1c(=O)[nH]c(=O)oc1C(F)(F)F ZINC000095696994 520007493 /nfs/dbraw/zinc/00/74/93/520007493.db2.gz ZMWAFQMCTNHBRL-UHFFFAOYSA-N 0 0 377.447 5.591 40 30 GKEBRN CCCCCCCCCCNC(=O)CC(=O)NCCCCCCCCCC ZINC000059664087 520020174 /nfs/dbraw/zinc/02/01/74/520020174.db2.gz IKKAHGBEBSQWLC-UHFFFAOYSA-N 0 0 382.633 5.890 40 30 GKEBRN CCCCCCCCCCOC(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 ZINC000104249243 520020407 /nfs/dbraw/zinc/02/04/07/520020407.db2.gz XQMVVBXFSGIEQO-HSZRJFAPSA-N 0 0 395.543 7.057 40 30 GKEBRN CCCCCCCCCCc1noc2c1/C(=N\O)C[C@H](C[C@@H](C)SCC)C2 ZINC000103007869 520027436 /nfs/dbraw/zinc/02/74/36/520027436.db2.gz KJKOMIKRFOOAEA-WLUNRTAJSA-N 0 0 394.625 6.630 40 30 GKEBRN CCCCCCCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000101538334 520029250 /nfs/dbraw/zinc/02/92/50/520029250.db2.gz DKKOGAOESDVVDH-SDXDJHTJSA-N 0 0 377.575 5.647 40 30 GKEBRN CCCCCCCCCc1cnc(-c2ccc(OCCCCCCC)cc2)nc1 ZINC000100073847 520031550 /nfs/dbraw/zinc/03/15/50/520031550.db2.gz IHQUQNPGVVLDKR-UHFFFAOYSA-N 0 0 396.619 7.786 40 30 GKEBRN CCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCC)cc2)cc1 ZINC000068569017 520031774 /nfs/dbraw/zinc/03/17/74/520031774.db2.gz UKVBQGFFXRJMRT-WEMUOSSPSA-N 0 0 393.615 8.299 40 30 GKEBRN CCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005026 520040793 /nfs/dbraw/zinc/04/07/93/520040793.db2.gz XBAYHRNANLJPNZ-SFQUDFHCSA-N 0 0 380.484 5.857 40 30 GKEBRN CCCCCCCCOc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1 ZINC000103012161 520042016 /nfs/dbraw/zinc/04/20/16/520042016.db2.gz MXDFDYUVDBDQEI-LTGZKZEYSA-N 0 0 392.583 7.665 40 30 GKEBRN CCCCCCCCSc1cc(C(N)=S)cc(SCCCCCC)n1 ZINC000068569545 520046103 /nfs/dbraw/zinc/04/61/03/520046103.db2.gz MMTIEUSPYQLWRP-UHFFFAOYSA-N 0 0 398.707 6.841 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000100171823 520063736 /nfs/dbraw/zinc/06/37/36/520063736.db2.gz XDRTVYHPNWZRGA-RELWKKBWSA-N 0 0 376.500 5.842 40 30 GKEBRN CCCCCCC[C@@H](CC)OC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000098001393 520066641 /nfs/dbraw/zinc/06/66/41/520066641.db2.gz UJIYTUFHEQNFHL-HSZRJFAPSA-N 0 0 395.543 6.543 40 30 GKEBRN CCCCCCOc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000005502372 520103211 /nfs/dbraw/zinc/10/32/11/520103211.db2.gz NXFYINYOTBSHHO-AFUMVMLFSA-N 0 0 398.856 6.764 40 30 GKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409199764 534472167 /nfs/dbraw/zinc/47/21/67/534472167.db2.gz DPKPDKXIQZKSOW-MTDXEUNCSA-N 0 0 397.449 6.948 40 30 GKEBRN Fc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409200423 534472618 /nfs/dbraw/zinc/47/26/18/534472618.db2.gz IENHEGFAYDMGAH-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN Fc1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409094042 534472654 /nfs/dbraw/zinc/47/26/54/534472654.db2.gz CTDJJGVDCVJGDQ-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409209693 534472729 /nfs/dbraw/zinc/47/27/29/534472729.db2.gz HVCKTJAPKGYVMN-MTDXEUNCSA-N 0 0 397.449 6.948 40 30 GKEBRN Fc1ccc(COc2cccc(CN=Nc3ccc(C(F)(F)F)cn3)c2)cc1 ZINC000409106865 534472880 /nfs/dbraw/zinc/47/28/80/534472880.db2.gz PQSHOYDMKCIZGG-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN CC/C(=N/NC(=S)Nc1cccc(C)c1C)c1ccc(OC(F)F)cc1 ZINC000033632359 520177263 /nfs/dbraw/zinc/17/72/63/520177263.db2.gz XQXKRCDQAZTCNU-KQWNVCNZSA-N 0 0 377.460 5.006 40 30 GKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 ZINC000072229662 520184899 /nfs/dbraw/zinc/18/48/99/520184899.db2.gz OBUIAKMRJZATSG-FMCGGJTJSA-N 0 0 378.457 5.493 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(OC)c3)c(C)c2s1 ZINC000072228691 520185105 /nfs/dbraw/zinc/18/51/05/520185105.db2.gz HEMLOHDZXQIBNJ-CFRMEGHHSA-N 0 0 396.516 5.372 40 30 GKEBRN CCC(C)N=Nc1nc2c(cc(Cl)c3nc(N=NC(C)CC)sc23)s1 ZINC000057327744 520185116 /nfs/dbraw/zinc/18/51/16/520185116.db2.gz UCGVLECQQJLOHP-OJRZISNZSA-N 0 0 394.957 5.955 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]c2ccccc21 ZINC000019418922 520256712 /nfs/dbraw/zinc/25/67/12/520256712.db2.gz MOJDXBYRIFTNRC-UHFFFAOYSA-N 0 0 388.511 5.141 40 30 GKEBRN c1ccc(N=NC(N=Nc2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 ZINC000299888525 534496889 /nfs/dbraw/zinc/49/68/89/534496889.db2.gz MZVXKNNJFCONRG-UHFFFAOYSA-N 0 0 376.463 6.911 40 30 GKEBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[C@H](Cc1ccccc1)C(=O)Oc1ccccc1 ZINC000245240882 520683163 /nfs/dbraw/zinc/68/31/63/520683163.db2.gz UTUGYCPSXHQSSU-ZCGKHYAMSA-N 0 0 388.507 5.403 40 30 GKEBRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(F)c(Cl)c1 ZINC000101764573 520800978 /nfs/dbraw/zinc/80/09/78/520800978.db2.gz GCPVMUVCFWCKJN-PLRJNAJWSA-N 0 0 398.865 5.541 40 30 GKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(C)c1 ZINC000101764870 520801020 /nfs/dbraw/zinc/80/10/20/520801020.db2.gz PPTBTHDPEDHAPX-HDUHFAKSSA-N 0 0 376.500 5.455 40 30 GKEBRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101763854 520801212 /nfs/dbraw/zinc/80/12/12/520801212.db2.gz YJOQHYAJQALKEG-ROMGYVFFSA-N 0 0 388.511 5.872 40 30 GKEBRN Fc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1 ZINC000409213271 534520032 /nfs/dbraw/zinc/52/00/32/534520032.db2.gz UBJFBBWXKOWWNE-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN CCOc1ccc(/C=N\c2ccc(/C=C(/C)C(=O)OCCC(C)C)cc2)cc1 ZINC000104066814 520856777 /nfs/dbraw/zinc/85/67/77/520856777.db2.gz XUALOKRPDKNKGC-JAOQATFESA-N 0 0 379.500 5.829 40 30 GKEBRN CCOc1ccc(/N=C2/c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000096868683 520859741 /nfs/dbraw/zinc/85/97/41/520859741.db2.gz LQIXJXMSPOUKJH-MEFNAMQOSA-N 0 0 376.500 5.401 40 30 GKEBRN CCOc1ccc(C(=O)/C(=C\c2ccc(O)cc2)c2nc3ccccc3o2)cc1 ZINC000027061919 520871318 /nfs/dbraw/zinc/87/13/18/520871318.db2.gz GFESQQPFLZLZSD-HMMYKYKNSA-N 0 0 385.419 5.356 40 30 GKEBRN CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000036644276 520872406 /nfs/dbraw/zinc/87/24/06/520872406.db2.gz DMDNRZSOIARPKV-OVVQPSECSA-N 0 0 399.490 6.018 40 30 GKEBRN Cc1oc(/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C#N)c1C ZINC000409143206 534535828 /nfs/dbraw/zinc/53/58/28/534535828.db2.gz VXXWYBQOKZTHIB-FSJBWODESA-N 0 0 375.384 5.006 40 30 GKEBRN Ic1ccccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000408549958 534542911 /nfs/dbraw/zinc/54/29/11/534542911.db2.gz CDZWPPZQPOOIQS-KGENOOAVSA-N 0 0 398.247 5.785 40 30 GKEBRN CCCCc1ccc2nccc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000005499297 521289262 /nfs/dbraw/zinc/28/92/62/521289262.db2.gz OVHKMDYNSDTOLJ-WPWMEQJKSA-N 0 0 383.495 6.185 40 30 GKEBRN CCOC(=O)c1ccc(/N=N\c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000017719545 521466117 /nfs/dbraw/zinc/46/61/17/521466117.db2.gz DXZDIMFXDBISEA-QPLCGJKRSA-N 0 0 389.459 5.221 40 30 GKEBRN Cc1cccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc32)c1C ZINC000409211465 534578210 /nfs/dbraw/zinc/57/82/10/534578210.db2.gz NTCHZQVXUSSAIS-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)c1C ZINC000409208011 534578607 /nfs/dbraw/zinc/57/86/07/534578607.db2.gz AEPZSYPSHURXRK-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C ZINC000409210933 534578687 /nfs/dbraw/zinc/57/86/87/534578687.db2.gz LSIZFTYHAWGVIB-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1C ZINC000409213548 534578860 /nfs/dbraw/zinc/57/88/60/534578860.db2.gz PQKAVUSZNQFUJT-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C ZINC000409210424 534578910 /nfs/dbraw/zinc/57/89/10/534578910.db2.gz INCJOBMKDVJUOW-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)c(Cl)c1 ZINC000059461325 534637185 /nfs/dbraw/zinc/63/71/85/534637185.db2.gz BYHMDPNBWWCVOH-UTWFGLGRSA-N 0 0 391.279 6.184 40 30 GKEBRN Clc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409199310 534640582 /nfs/dbraw/zinc/64/05/82/534640582.db2.gz CFHGOHRUHVBZFB-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN Clc1cccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c1Cl ZINC000408853016 534642750 /nfs/dbraw/zinc/64/27/50/534642750.db2.gz PCDPKAOPWMKHFH-OCKHKDLRSA-N 0 0 388.092 5.700 40 30 GKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1C ZINC000408961884 534672284 /nfs/dbraw/zinc/67/22/84/534672284.db2.gz VGOQTFHEPRZXAS-UBWZAKNHSA-N 0 0 391.540 5.137 40 30 GKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 ZINC000408785705 534678392 /nfs/dbraw/zinc/67/83/92/534678392.db2.gz AXMONKKRBOZNGT-YSMPRRRNSA-N 0 0 392.499 5.447 40 30 GKEBRN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(F)c(Cl)c1 ZINC000101764910 523056072 /nfs/dbraw/zinc/05/60/72/523056072.db2.gz CPPLSGKJCWGLCU-ZHUHTFJQSA-N 0 0 386.854 5.241 40 30 GKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(/N=C\c3ccccc3)n2)c(O)c1 ZINC000017261208 523086624 /nfs/dbraw/zinc/08/66/24/523086624.db2.gz MYTFQVYDIFUCFS-XYGWBWBKSA-N 0 0 381.435 5.275 40 30 GKEBRN COc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1Cl ZINC000100292853 523126155 /nfs/dbraw/zinc/12/61/55/523126155.db2.gz HNDVQAKKNBZPGY-BUVRLJJBSA-N 0 0 396.874 5.196 40 30 GKEBRN COc1ccc(-c2nc3ccccn3c2/N=C/c2cccc3ccccc23)cc1O ZINC000001436351 523231359 /nfs/dbraw/zinc/23/13/59/523231359.db2.gz ZMOLLDKPMDLDIX-WGOQTCKBSA-N 0 0 393.446 5.619 40 30 GKEBRN CCn1c2ccccc2c2cc(/N=C/c3cccc(Oc4ccccc4)c3)ccc21 ZINC000102957298 523274010 /nfs/dbraw/zinc/27/40/10/523274010.db2.gz KLXCLWGRHRRWJD-TURZUDJPSA-N 0 0 390.486 7.357 40 30 GKEBRN COc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4s3)c2C)cc1 ZINC000033330741 523313866 /nfs/dbraw/zinc/31/38/66/523313866.db2.gz JMMDINWMMQQKEW-XKZIYDEJSA-N 0 0 376.485 5.158 40 30 GKEBRN COc1ccc(-n2cnc(Cl)c2/C=N/c2ccc(OC(F)(F)F)cc2)cc1 ZINC000071195247 523337950 /nfs/dbraw/zinc/33/79/50/523337950.db2.gz IBUFOBVPQWQWMX-AUEPDCJTSA-N 0 0 395.768 5.184 40 30 GKEBRN COc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCS2)cc1 ZINC000001083122 523382852 /nfs/dbraw/zinc/38/28/52/523382852.db2.gz XIRPSJYYKSQBND-JLHYYAGUSA-N 0 0 396.533 5.242 40 30 GKEBRN COc1ccc(/C=C/C(=O)c2cccc(C(=O)/C=C/c3ccc(OC)cc3)c2)cc1 ZINC000005513452 523401935 /nfs/dbraw/zinc/40/19/35/523401935.db2.gz IPABLGMAPCTPSM-OTYYAQKOSA-N 0 0 398.458 5.496 40 30 GKEBRN COc1ccc(/C=C\C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 ZINC000013406608 523432748 /nfs/dbraw/zinc/43/27/48/523432748.db2.gz FXZNENPOJIKRBN-WHYMJUELSA-N 0 0 384.431 5.210 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3F)c2)cc1 ZINC000005007385 523542933 /nfs/dbraw/zinc/54/29/33/523542933.db2.gz WKUCUGWFVSZSQX-NTUHNPAUSA-N 0 0 392.426 5.318 40 30 GKEBRN N#CCc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000219762685 534724310 /nfs/dbraw/zinc/72/43/10/534724310.db2.gz HZYYPRUECNJVFL-UHFFFAOYSA-N 0 0 376.843 5.237 40 30 GKEBRN CC[C@@]1(c2ccccc2)CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017105803 523746606 /nfs/dbraw/zinc/74/66/06/523746606.db2.gz DDDFWQHZAHRAMW-UUZBPDLYSA-N 0 0 382.420 5.193 40 30 GKEBRN CCc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000005318332 523870672 /nfs/dbraw/zinc/87/06/72/523870672.db2.gz ONOMWTMCOMNQLP-VUTHCHCSSA-N 0 0 392.506 6.209 40 30 GKEBRN Cc1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032114766 524154144 /nfs/dbraw/zinc/15/41/44/524154144.db2.gz GMDKHXWJPDGBMU-KIBLKLHPSA-N 0 0 398.796 6.191 40 30 GKEBRN COc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004980088 524326116 /nfs/dbraw/zinc/32/61/16/524326116.db2.gz SZUVIKQUDGSFAU-AWQFTUOYSA-N 0 0 378.284 5.572 40 30 GKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc2[nH]c3ccccc3c2c1 ZINC000408850449 534782806 /nfs/dbraw/zinc/78/28/06/534782806.db2.gz NUXRFGHYGPGNNO-NDENLUEZSA-N 0 0 387.439 5.352 40 30 GKEBRN Cc1cccc([N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 ZINC000005571173 524529124 /nfs/dbraw/zinc/52/91/24/524529124.db2.gz XDQHULRSFOOSHS-NHFJDJAPSA-N 0 0 377.491 6.911 40 30 GKEBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl ZINC000408978141 534802973 /nfs/dbraw/zinc/80/29/73/534802973.db2.gz YIUADMLAJKGWIX-UFFVCSGVSA-N 0 0 389.242 5.455 40 30 GKEBRN N#Cc1ccccc1Cn1cc(/C=C2\Sc3ccccc3C2=O)c2ccccc21 ZINC000408815146 534813804 /nfs/dbraw/zinc/81/38/04/534813804.db2.gz RRRSUZUGEWXZKC-CFRMEGHHSA-N 0 0 392.483 5.891 40 30 GKEBRN C[C@@H](NC(=O)c1ccccc1NC=C1C(=O)C=Cc2ccccc21)c1ccccc1 ZINC000100477397 525351900 /nfs/dbraw/zinc/35/19/00/525351900.db2.gz YUGODMKHHCZZOI-KIJZHVTOSA-N 0 0 394.474 5.227 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)C2=O ZINC000118916380 525353517 /nfs/dbraw/zinc/35/35/17/525353517.db2.gz OIEOFEFLLYWLLM-DFMMHKFPSA-N 0 0 380.547 6.821 40 30 GKEBRN O=C1c2ccccc2C/C1=C\c1ccccc1OCc1cccc2ccccc21 ZINC000409368389 534852912 /nfs/dbraw/zinc/85/29/12/534852912.db2.gz SWVWWRYPMJCHTN-HAVVHWLPSA-N 0 0 376.455 6.241 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409232010 534849343 /nfs/dbraw/zinc/84/93/43/534849343.db2.gz NHPCFWLLQDINBN-UHFFFAOYSA-N 0 0 381.406 5.291 40 30 GKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223617983 525592635 /nfs/dbraw/zinc/59/26/35/525592635.db2.gz BVWZPRBOJFGJMU-CSWGWEJPSA-N 0 0 376.588 7.370 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(N2CCCCCC2)o1 ZINC000409067220 534879627 /nfs/dbraw/zinc/87/96/27/534879627.db2.gz PSIWHVASLDSMEQ-WSDLNYQXSA-N 0 0 396.369 5.033 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2ccc(F)cc2)o1 ZINC000409068426 534879782 /nfs/dbraw/zinc/87/97/82/534879782.db2.gz ANHITPATRUBRCF-AUEPDCJTSA-N 0 0 393.296 5.459 40 30 GKEBRN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000004980097 525772362 /nfs/dbraw/zinc/77/23/62/525772362.db2.gz NIYSXYUPJAVFDR-AWQFTUOYSA-N 0 0 378.284 5.572 40 30 GKEBRN COc1cccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c1 ZINC000005352254 525772521 /nfs/dbraw/zinc/77/25/21/525772521.db2.gz LKEPQGCADXVZTQ-AUEPDCJTSA-N 0 0 395.381 5.423 40 30 GKEBRN COc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccccc1 ZINC000100384095 525776342 /nfs/dbraw/zinc/77/63/42/525776342.db2.gz CHMAYCWRUGDCMY-OEAKJJBVSA-N 0 0 396.284 5.787 40 30 GKEBRN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#Cc1ccccc1 ZINC000253617608 525913784 /nfs/dbraw/zinc/91/37/84/525913784.db2.gz XROIWEWUVSAKIJ-VIQQYPKZSA-N 0 0 390.567 5.093 40 30 GKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000033957382 525915562 /nfs/dbraw/zinc/91/55/62/525915562.db2.gz XZWUGWAIVKGTRA-HABTXOPUSA-N 0 0 390.502 5.863 40 30 GKEBRN CSc1ccc(/C=C/C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000020275268 525948652 /nfs/dbraw/zinc/94/86/52/525948652.db2.gz SPRPZECDZCDYBN-UNZYHPAISA-N 0 0 399.515 5.957 40 30 GKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1C ZINC000035647450 525971435 /nfs/dbraw/zinc/97/14/35/525971435.db2.gz PTUSSFZBGVWYNP-LZYBPNLTSA-N 0 0 377.296 5.502 40 30 GKEBRN C[C@H]1C/C(=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 ZINC000035507236 526209587 /nfs/dbraw/zinc/20/95/87/526209587.db2.gz CPWRAWFFVIGDHR-VDZLYJHLSA-N 0 0 391.890 5.847 40 30 GKEBRN C[C@H]1CCCC/C1=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017860568 526237529 /nfs/dbraw/zinc/23/75/29/526237529.db2.gz VICRXONXPPCOQD-WOSBWRHYSA-N 0 0 385.576 7.278 40 30 GKEBRN C[C@H]1CCCC/C1=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104244805 526237710 /nfs/dbraw/zinc/23/77/10/526237710.db2.gz VICRXONXPPCOQD-ZJJRIXMCSA-N 0 0 385.576 7.278 40 30 GKEBRN O[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2/N=C/c1ccc2c(c1)OCO2 ZINC000018056141 526316563 /nfs/dbraw/zinc/31/65/63/526316563.db2.gz OTSUYTRWZUVSMX-OXDFUUKTSA-N 0 0 398.245 5.535 40 30 GKEBRN Oc1ccc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)ccc1O ZINC000018087003 526347515 /nfs/dbraw/zinc/34/75/15/526347515.db2.gz MJEDAFLTUJSUIS-RNIAWFEPSA-N 0 0 393.314 5.503 40 30 GKEBRN Oc1ccccc1/C=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000104058473 526370057 /nfs/dbraw/zinc/37/00/57/526370057.db2.gz BGITVMSRNRNFGO-USHMODERSA-N 0 0 392.502 6.350 40 30 GKEBRN Fc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000033377263 526381676 /nfs/dbraw/zinc/38/16/76/526381676.db2.gz SBALSRIRXGFUBA-DJKKODMXSA-N 0 0 376.254 5.158 40 30 GKEBRN S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 ZINC000033660017 526382115 /nfs/dbraw/zinc/38/21/15/526382115.db2.gz ZRYVURWFKNYFHR-NDENLUEZSA-N 0 0 387.917 5.405 40 30 GKEBRN CC(=O)/C(=N\Nc1c(Cl)cccc1Cl)Sc1cccc2cccnc21 ZINC000100933327 526386584 /nfs/dbraw/zinc/38/65/84/526386584.db2.gz JHDFXPDHORWIFV-PTGBLXJZSA-N 0 0 390.295 5.648 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409014288 526407885 /nfs/dbraw/zinc/40/78/85/526407885.db2.gz IJOPBRCJIGYSIC-UVTDQMKNSA-N 0 0 393.942 5.775 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O ZINC000208531933 526407921 /nfs/dbraw/zinc/40/79/21/526407921.db2.gz YVUJYPPKBHGRLO-UNOMPAQXSA-N 0 0 382.529 5.239 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409068550 526408341 /nfs/dbraw/zinc/40/83/41/526408341.db2.gz BAICBPQRJLLKCQ-ZROIWOOFSA-N 0 0 380.252 5.476 40 30 GKEBRN O=C(Oc1ccccc1/C=N/c1ccccc1)c1sc2ccccc2c1Cl ZINC000003095190 526447377 /nfs/dbraw/zinc/44/73/77/526447377.db2.gz LNYAJCVBDUCFRL-ZVHZXABRSA-N 0 0 391.879 6.525 40 30 GKEBRN N#C[C@@]12CCCC[C@@H]1C(c1ccccc1)[C@H]1CCCC[C@@]1(C#N)N2c1ccccc1 ZINC000102666025 526504323 /nfs/dbraw/zinc/50/43/23/526504323.db2.gz KTRYHAULWNUHQF-KAHCWPQKSA-N 0 0 395.550 6.196 40 30 GKEBRN Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccccc1C(F)(F)F ZINC000100535411 526505011 /nfs/dbraw/zinc/50/50/11/526505011.db2.gz SBUACWAOVAAXAS-KSEXSDGBSA-N 0 0 375.419 5.947 40 30 GKEBRN CC(C)(C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409404247 526589031 /nfs/dbraw/zinc/58/90/31/526589031.db2.gz OUZLIXFQLFKGKL-UHFFFAOYSA-N 0 0 397.478 5.123 40 30 GKEBRN C=CCNC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408981739 526619541 /nfs/dbraw/zinc/61/95/41/526619541.db2.gz WOENACQYGOPGRM-UHFFFAOYSA-N 0 0 392.509 5.394 40 30 GKEBRN Brc1cc(/C=N\c2ccccc2Br)oc1N1CCCC1 ZINC000408850174 526635222 /nfs/dbraw/zinc/63/52/22/526635222.db2.gz HKRXZSZKCSKYCV-ZDLGFXPLSA-N 0 0 398.098 5.155 40 30 GKEBRN Brc1cc(/C=N\c2ccc3ccccc3c2)oc1Br ZINC000408954437 526635487 /nfs/dbraw/zinc/63/54/87/526635487.db2.gz SYPNUBIOXFUZDZ-NVMNQCDNSA-N 0 0 379.051 5.708 40 30 GKEBRN O=C(c1ccc(/N=C/[C@@H]2CC=CCC2)cc1)N(c1ccccc1)c1ccccc1 ZINC000004359618 526658269 /nfs/dbraw/zinc/65/82/69/526658269.db2.gz IUGGJHOXHBMINO-HKSLHJNNSA-N 0 0 380.491 6.724 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCC#N)cc3)sc2C1 ZINC000409085437 526674547 /nfs/dbraw/zinc/67/45/47/526674547.db2.gz SFHRXAASMUEXRO-FRQJIFLKSA-N 0 0 377.513 5.424 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1 ZINC000409109492 526675366 /nfs/dbraw/zinc/67/53/66/526675366.db2.gz FYONHMOHCZMOTQ-CQSZACIVSA-N 0 0 384.570 5.502 40 30 GKEBRN CC(C)(C)c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409079490 526760907 /nfs/dbraw/zinc/76/09/07/526760907.db2.gz JXRAWNHPEQFRHV-QRQIAZFYSA-N 0 0 387.567 6.908 40 30 GKEBRN CC(C)(C)c1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 ZINC000409015823 526761197 /nfs/dbraw/zinc/76/11/97/526761197.db2.gz BPPQXXSIPKRLSV-HAHDFKILSA-N 0 0 381.317 6.288 40 30 GKEBRN C=CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409120848 526822425 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RRNXUUBLQLMXRU-XLNRJJMWSA-N 0 0 399.490 5.513 40 30 in-vitro GKEBRN C(=CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)Cc1ccccc1 ZINC000005680616 527465881 /nfs/dbraw/zinc/46/58/81/527465881.db2.gz ZDILMTSZDBXYPU-JOUPJCCWSA-N 0 0 381.504 6.588 40 30 GKEBRN C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCCCC2)cc1 ZINC000408961657 527475145 /nfs/dbraw/zinc/47/51/45/527475145.db2.gz UJSIYTPEVOZUTN-ZXVVBBHZSA-N 0 0 380.491 6.841 40 30 GKEBRN C(=N\c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCCC2)cc1 ZINC000059105114 527475330 /nfs/dbraw/zinc/47/53/30/527475330.db2.gz JWVMKGDAIMYIAH-USHMODERSA-N 0 0 384.567 6.505 40 30 GKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccc2c(c1)OCO2 ZINC000408938417 527475421 /nfs/dbraw/zinc/47/54/21/527475421.db2.gz QJNJCZMFDYLSAR-KRRSVRAPSA-N 0 0 394.474 5.992 40 30 GKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Br)cc1Br ZINC000409362268 527521936 /nfs/dbraw/zinc/52/19/36/527521936.db2.gz TUKZEGXBNDHQGE-VQHVLOKHSA-N 0 0 399.082 5.312 40 30 GKEBRN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/c1ccc(F)c(Cl)c1 ZINC000102957293 527525109 /nfs/dbraw/zinc/52/51/09/527525109.db2.gz SEHZVKNQHYEXLW-LSFURLLWSA-N 0 0 382.653 6.031 40 30 GKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1cccc(C2CCCCC2)c1 ZINC000408963399 527538976 /nfs/dbraw/zinc/53/89/76/527538976.db2.gz BFPHDKWCEMZQML-KOEQRZSOSA-N 0 0 375.541 6.694 40 30 GKEBRN O=C(/C(=C/c1ccccc1)Oc1ccc(S[N+](=O)[O-])cc1)c1ccccc1 ZINC000017020882 527591251 /nfs/dbraw/zinc/59/12/51/527591251.db2.gz XGQUMYGHPCRBAK-HKWRFOASSA-N 0 0 377.421 5.273 40 30 GKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000017124114 527616642 /nfs/dbraw/zinc/61/66/42/527616642.db2.gz HDZNSWJRJJAEEI-OVCLIPMQSA-N 0 0 382.381 6.181 40 30 GKEBRN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000100661954 527652358 /nfs/dbraw/zinc/65/23/58/527652358.db2.gz XGJAYFNXYMEDQU-WAYWQWQTSA-N 0 0 377.259 5.672 40 30 GKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000017124069 527655922 /nfs/dbraw/zinc/65/59/22/527655922.db2.gz GRLSDDSZURUVOB-NVNXTCNLSA-N 0 0 393.280 5.924 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Cl ZINC000095671235 527661590 /nfs/dbraw/zinc/66/15/90/527661590.db2.gz LDRHDLMYEKTWEA-UHFFFAOYSA-N 0 0 396.640 5.655 40 30 GKEBRN O[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2/N=C/c1ccc2c(c1)OCO2 ZINC000022243060 527680244 /nfs/dbraw/zinc/68/02/44/527680244.db2.gz OTSUYTRWZUVSMX-NDMWVJKWSA-N 0 0 398.245 5.535 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@]12C ZINC000123221157 527705607 /nfs/dbraw/zinc/70/56/07/527705607.db2.gz YSHCPAAHOVSKSB-NBGJRJMZSA-N 0 0 386.664 7.629 40 30 GKEBRN CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000409186747 527796766 /nfs/dbraw/zinc/79/67/66/527796766.db2.gz HJMXOGGUYHCPJH-PCLIKHOPSA-N 0 0 388.467 5.511 40 30 GKEBRN CCN(CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)c1ccccc1 ZINC000408546974 527930298 /nfs/dbraw/zinc/93/02/98/527930298.db2.gz HZHCLXWMIKXDKV-INIZCTEOSA-N 0 0 395.572 5.236 40 30 GKEBRN CC(C)CN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409090863 527956542 /nfs/dbraw/zinc/95/65/42/527956542.db2.gz QUTZKXPNRKWDQF-VYDJTNBWSA-N 0 0 396.943 6.156 40 30 GKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409080510 527956904 /nfs/dbraw/zinc/95/69/04/527956904.db2.gz IHIIMFYOUQNUAD-OADBCFLWSA-N 0 0 386.904 5.306 40 30 GKEBRN CCOC(=O)c1c(/N=C/c2c(C)n(C)c3ccccc23)sc2c1CCCC2 ZINC000408806298 528117523 /nfs/dbraw/zinc/11/75/23/528117523.db2.gz AJQHJRAWHVLXKH-YDZHTSKRSA-N 0 0 380.513 5.354 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000408668224 528123424 /nfs/dbraw/zinc/12/34/24/528123424.db2.gz CXNVQDMYMTYVID-UHFFFAOYSA-N 0 0 386.536 5.590 40 30 GKEBRN CCCCCCCCCCCC(=O)c1cc(C)ccc1OC(=O)c1ccccc1 ZINC000100932031 528123493 /nfs/dbraw/zinc/12/34/93/528123493.db2.gz MQRQSYCUPYAYDA-UHFFFAOYSA-N 0 0 394.555 7.318 40 30 GKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1cc(Cl)ccc1O ZINC000100922113 528124500 /nfs/dbraw/zinc/12/45/00/528124500.db2.gz VWEYJSCDLXWCLB-UHFFFAOYSA-N 0 0 375.962 5.708 40 30 GKEBRN CCCCCCCCCCOc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000408718584 528126702 /nfs/dbraw/zinc/12/67/02/528126702.db2.gz DCAYFCRONNIKHJ-UHFFFAOYSA-N 0 0 381.560 6.179 40 30 GKEBRN CCCCCCCCCOc1ccc(/C=C2/C[C@H](CCCCC)OC2=O)cc1 ZINC000100928765 528127488 /nfs/dbraw/zinc/12/74/88/528127488.db2.gz CNHBNUVSBSVBPO-SFPLQAFVSA-N 0 0 386.576 7.095 40 30 GKEBRN CCCCCCCCCOc1ccc(/C=C2/C[C@@H](CCCCC)OC2=O)cc1 ZINC000100928766 528127674 /nfs/dbraw/zinc/12/76/74/528127674.db2.gz CNHBNUVSBSVBPO-DOMBRYFRSA-N 0 0 386.576 7.095 40 30 GKEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 ZINC000103757484 528127881 /nfs/dbraw/zinc/12/78/81/528127881.db2.gz QIIZPTNUBZAULF-UHFFFAOYSA-N 0 0 376.541 5.061 40 30 GKEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408707414 528128054 /nfs/dbraw/zinc/12/80/54/528128054.db2.gz AJWUWROGUFHJDW-UHFFFAOYSA-N 0 0 392.849 5.164 40 30 GKEBRN CCCCCCCCNC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000408721640 528129160 /nfs/dbraw/zinc/12/91/60/528129160.db2.gz KITIFZSKSRJHKU-UHFFFAOYSA-N 0 0 387.527 5.901 40 30 GKEBRN CCCCCCCCNC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408994998 528129777 /nfs/dbraw/zinc/12/97/77/528129777.db2.gz KKFDEUANCXJTFH-UHFFFAOYSA-N 0 0 389.503 5.746 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000408586487 528132407 /nfs/dbraw/zinc/13/24/07/528132407.db2.gz NEENCKATGVDZAJ-UHFFFAOYSA-N 0 0 385.504 5.695 40 30 GKEBRN CCCCCCCCOc1c(Br)cc(CO)cc1Br ZINC000105981319 528132827 /nfs/dbraw/zinc/13/28/27/528132827.db2.gz ACROBCKFXYAOLR-UHFFFAOYSA-N 0 0 394.147 5.443 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(F)c2)OC1=O ZINC000408924783 528134436 /nfs/dbraw/zinc/13/44/36/528134436.db2.gz RAODFDGKIRZCIM-SILNSSARSA-N 0 0 381.447 5.519 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)ccc1Cl ZINC000408691479 528135054 /nfs/dbraw/zinc/13/50/54/528135054.db2.gz ADGNXKNHJWGKRC-FMIVXFBMSA-N 0 0 394.854 5.981 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1CC ZINC000408560815 528139140 /nfs/dbraw/zinc/13/91/40/528139140.db2.gz PHFFROZTDZPCNO-UHFFFAOYSA-N 0 0 388.581 5.159 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C ZINC000408561218 528139273 /nfs/dbraw/zinc/13/92/73/528139273.db2.gz ZHPNGDWTVGFGSI-UHFFFAOYSA-N 0 0 394.972 5.021 40 30 GKEBRN CC(C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409290499 528147390 /nfs/dbraw/zinc/14/73/90/528147390.db2.gz MASBSUDFSHOTMJ-UHFFFAOYSA-N 0 0 389.499 5.114 40 30 GKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000011992849 528147413 /nfs/dbraw/zinc/14/74/13/528147413.db2.gz MMZVOWKCHQGHDS-LFVJCYFKSA-N 0 0 393.556 5.946 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409084941 528152987 /nfs/dbraw/zinc/15/29/87/528152987.db2.gz YIQZHOUVEWGVKQ-MLPAPPSSSA-N 0 0 396.657 5.542 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 ZINC000409093033 528153612 /nfs/dbraw/zinc/15/36/12/528153612.db2.gz XOAOODOEOHDOBK-CHHVJCJISA-N 0 0 376.239 5.197 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409089590 528153776 /nfs/dbraw/zinc/15/37/76/528153776.db2.gz NCYPADBAIDRMOR-NSIKDUERSA-N 0 0 380.202 5.028 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(CC)s2)S/C1=N/c1ccc(Cl)cc1 ZINC000409087672 528162444 /nfs/dbraw/zinc/16/24/44/528162444.db2.gz DCPBBWZXTJLSOR-HATACVMWSA-N 0 0 390.961 5.978 40 30 GKEBRN CCCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409091736 528162699 /nfs/dbraw/zinc/16/26/99/528162699.db2.gz UCAALIOTAZZDRL-RLCMZODHSA-N 0 0 382.916 5.910 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408915099 528163549 /nfs/dbraw/zinc/16/35/49/528163549.db2.gz PCQZBHWBHQHICC-FTJNEJEMSA-N 0 0 386.520 6.162 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408909331 528163830 /nfs/dbraw/zinc/16/38/30/528163830.db2.gz HEXLJRWERVPVOI-PUWVYARHSA-N 0 0 378.541 5.998 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408916427 528163913 /nfs/dbraw/zinc/16/39/13/528163913.db2.gz XJSIMLXHYNYUCK-DYEBMTOPSA-N 0 0 396.512 5.026 40 30 GKEBRN CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409076030 528167204 /nfs/dbraw/zinc/16/72/04/528167204.db2.gz WSODMKXWUUMFAJ-QPJQQBGISA-N 0 0 378.181 5.252 40 30 GKEBRN CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl ZINC000408532863 528167440 /nfs/dbraw/zinc/16/74/40/528167440.db2.gz WKXFHGAATUDUNK-GDNBJRDFSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1OCC ZINC000408691688 528192707 /nfs/dbraw/zinc/19/27/07/528192707.db2.gz LTANMXNGKWDLAO-DHZHZOJOSA-N 0 0 389.289 5.451 40 30 GKEBRN CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)ccc1O ZINC000408905886 528195743 /nfs/dbraw/zinc/19/57/43/528195743.db2.gz GCBDXCBEHJGCGS-NMSSZPRHSA-N 0 0 396.512 5.032 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409095216 528196174 /nfs/dbraw/zinc/19/61/74/528196174.db2.gz ABJZICXULADPQG-BUVRLJJBSA-N 0 0 395.911 6.419 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408692741 528196199 /nfs/dbraw/zinc/19/61/99/528196199.db2.gz UFHCSNJBVIEHQM-NTCAYCPXSA-N 0 0 387.479 5.475 40 30 GKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O ZINC000409091881 528200774 /nfs/dbraw/zinc/20/07/74/528200774.db2.gz SVUHMFMOJZZYJN-MMTYYTLLSA-N 0 0 382.529 5.626 40 30 GKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1O[C@@H](C)CC ZINC000408594606 528201060 /nfs/dbraw/zinc/20/10/60/528201060.db2.gz IUCPPHYHBMIEDN-MMTYYTLLSA-N 0 0 386.879 5.338 40 30 GKEBRN CC(C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000409289890 528217719 /nfs/dbraw/zinc/21/77/19/528217719.db2.gz IUFRSWWAVQDSFL-UHFFFAOYSA-N 0 0 389.499 5.114 40 30 GKEBRN CC(C)Oc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409089090 528245874 /nfs/dbraw/zinc/24/58/74/528245874.db2.gz HEYCQFAJWNQLRD-NFXIUMSZSA-N 0 0 380.557 6.309 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000409239947 528245972 /nfs/dbraw/zinc/24/59/72/528245972.db2.gz IQQJFJIGZYFABV-JLPGSUDCSA-N 0 0 375.493 6.074 40 30 GKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)c1 ZINC000408652504 528246339 /nfs/dbraw/zinc/24/63/39/528246339.db2.gz DCLVSVXKBJRXFW-ACCUITESSA-N 0 0 376.408 5.028 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)c1 ZINC000408966555 528246432 /nfs/dbraw/zinc/24/64/32/528246432.db2.gz NFKQDTMWGSRVTI-AFUMVMLFSA-N 0 0 394.902 5.983 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)c1 ZINC000409378982 528246918 /nfs/dbraw/zinc/24/69/18/528246918.db2.gz TWMMMFMZTNDKCX-LTOJSDLTSA-N 0 0 389.879 5.453 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)c1 ZINC000408967867 528247244 /nfs/dbraw/zinc/24/72/44/528247244.db2.gz SLUCEMVXSYMCJE-PKAZHMFMSA-N 0 0 396.490 6.175 40 30 GKEBRN CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000408910405 528292329 /nfs/dbraw/zinc/29/23/29/528292329.db2.gz KCTRYBMNGBAVAF-UHFFFAOYSA-N 0 0 398.506 5.403 40 30 GKEBRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O ZINC000409116707 528330535 /nfs/dbraw/zinc/33/05/35/528330535.db2.gz LCAZCYGZNOSSHK-JLPGSUDCSA-N 0 0 394.474 5.434 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3cccc(Cl)c3)cc1)OCO2 ZINC000409108326 528337943 /nfs/dbraw/zinc/33/79/43/528337943.db2.gz WBBRQPODZPRACW-CFRMEGHHSA-N 0 0 395.842 6.010 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3OC)cc1)OCO2 ZINC000409097681 528338348 /nfs/dbraw/zinc/33/83/48/528338348.db2.gz NUNPLCYMXSRLBJ-OYKKKHCWSA-N 0 0 391.423 5.366 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 ZINC000409187708 528358674 /nfs/dbraw/zinc/35/86/74/528358674.db2.gz UCLKYDJVNOFCKH-ZVHZXABRSA-N 0 0 382.891 5.905 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 ZINC000409187877 528358716 /nfs/dbraw/zinc/35/87/16/528358716.db2.gz VJVCAAQRQZKULO-CFRMEGHHSA-N 0 0 387.310 6.550 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000409187416 528359342 /nfs/dbraw/zinc/35/93/42/528359342.db2.gz QDBZOSILLDGNOU-CFRMEGHHSA-N 0 0 387.310 6.550 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC ZINC000408908277 528369129 /nfs/dbraw/zinc/36/91/29/528369129.db2.gz RCFDZJBIKYGCBU-QNQNADBQSA-N 0 0 396.512 5.106 40 30 GKEBRN CCOc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc12 ZINC000408968004 528369855 /nfs/dbraw/zinc/36/98/55/528369855.db2.gz YLRCTONLFAXATL-DEDYPNTBSA-N 0 0 392.455 5.269 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943964 528374055 /nfs/dbraw/zinc/37/40/55/528374055.db2.gz SWEHTJWOVUMFOE-XQVBJUJKSA-N 0 0 394.518 6.662 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1I ZINC000408905195 528374857 /nfs/dbraw/zinc/37/48/57/528374857.db2.gz UZTJLZFWVRNQMG-XDHOZWIPSA-N 0 0 379.241 5.003 40 30 GKEBRN CCCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408913491 528449732 /nfs/dbraw/zinc/44/97/32/528449732.db2.gz MRECNDPBTOTUAG-RJZLAWLGSA-N 0 0 376.525 5.955 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408907603 528449869 /nfs/dbraw/zinc/44/98/69/528449869.db2.gz BTMPCFUBFZQNQD-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2cccc(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911348 528449913 /nfs/dbraw/zinc/44/99/13/528449913.db2.gz KFBKXVYUJGLZRM-RERTVAKNSA-N 0 0 394.540 5.798 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408817250 528470817 /nfs/dbraw/zinc/47/08/17/528470817.db2.gz VJFLBQUAWDFWJZ-YBEGLDIGSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000409093530 528470997 /nfs/dbraw/zinc/47/09/97/528470997.db2.gz ALOGJLDVUDXTBB-BUVRLJJBSA-N 0 0 381.859 6.290 40 30 GKEBRN CCO/C=N\c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(Cl)cc1 ZINC000100350652 528542408 /nfs/dbraw/zinc/54/24/08/528542408.db2.gz JMRMBPJHROLJHN-CFRMEGHHSA-N 0 0 384.266 6.019 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Br)c(Cl)c2)C1 ZINC000408562994 528598561 /nfs/dbraw/zinc/59/85/61/528598561.db2.gz HMABLDDTKXANLB-YLSINNKHSA-N 0 0 384.745 6.204 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000408563545 528599015 /nfs/dbraw/zinc/59/90/15/528599015.db2.gz NAPWWOWRACQRCG-XSOADTTBSA-N 0 0 375.516 7.203 40 30 GKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1 ZINC000408583186 528601763 /nfs/dbraw/zinc/60/17/63/528601763.db2.gz SGNGQKGCZNEFGS-HNNXBMFYSA-N 0 0 398.597 5.892 40 30 GKEBRN CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000409088032 528615530 /nfs/dbraw/zinc/61/55/30/528615530.db2.gz DQDOXVZFFPQKSI-GDNBJRDFSA-N 0 0 376.239 5.127 40 30 GKEBRN CCOc1ccc2ccccc2c1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408982837 528623087 /nfs/dbraw/zinc/62/30/87/528623087.db2.gz ZJKDFAMWTVZKGI-UHFFFAOYSA-N 0 0 379.463 5.560 40 30 GKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O ZINC000409200666 528624852 /nfs/dbraw/zinc/62/48/52/528624852.db2.gz JLSCDFDYQNEWBN-DYEBMTOPSA-N 0 0 382.529 5.328 40 30 GKEBRN CCOc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000408586952 528627151 /nfs/dbraw/zinc/62/71/51/528627151.db2.gz DFMMKCBRBUTKFL-MTDXEUNCSA-N 0 0 392.458 6.635 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1 ZINC000408737971 528640649 /nfs/dbraw/zinc/64/06/49/528640649.db2.gz GUWWQJXILAPOKF-PDGQHHTCSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 ZINC000408908251 528641026 /nfs/dbraw/zinc/64/10/26/528641026.db2.gz QSVJFEXLFBFPCY-OCIPIQTLSA-N 0 0 380.513 5.488 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1 ZINC000408916639 528641174 /nfs/dbraw/zinc/64/11/74/528641174.db2.gz YSIYJMBJBVGQMD-RERTVAKNSA-N 0 0 394.540 5.798 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1 ZINC000408843908 528641541 /nfs/dbraw/zinc/64/15/41/528641541.db2.gz HMSFDPOUJQSLOS-PDGQHHTCSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409082551 528644052 /nfs/dbraw/zinc/64/40/52/528644052.db2.gz SUEKNHAMOACPBK-HAWKZNDISA-N 0 0 380.557 6.310 40 30 GKEBRN 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CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](C)OC(C)=O ZINC000104394565 570302723 /nfs/dbraw/zinc/30/27/23/570302723.db2.gz DPRXJIQKNUUUQG-OAQYLSRUSA-N 0 0 383.617 6.316 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O ZINC000223613910 570303140 /nfs/dbraw/zinc/30/31/40/570303140.db2.gz JRYQURGDJAVXII-DEFALTHMSA-N 0 0 398.572 5.718 40 30 GKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C/c1ccc(Cl)cc1)C2=O ZINC000105371576 570304921 /nfs/dbraw/zinc/30/49/21/570304921.db2.gz WCHUABIOEGJTRD-YCIBVDBCSA-N 0 0 392.926 6.164 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C ZINC000031356867 570311750 /nfs/dbraw/zinc/31/17/50/570311750.db2.gz MECHNRXZTMCUDQ-DXFMESAFSA-N 0 0 396.659 7.641 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C(=O)OCC)cc1 ZINC000584906148 570319172 /nfs/dbraw/zinc/31/91/72/570319172.db2.gz PAXHAZFTNSSBJA-UHFFFAOYSA-N 0 0 398.915 5.465 40 30 GKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(/N=N\c2ccccc2)cc1 ZINC000584905963 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C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225051105 570450119 /nfs/dbraw/zinc/45/01/19/570450119.db2.gz RADJVGBAUCRADM-UHFFFAOYSA-N 0 0 392.307 5.528 40 30 GKEBRN CC1(C)Cc2occ(-c3ccc([N+](=O)[O-])cc3)c2C(=NNc2ccccc2)C1 ZINC000005705908 570452091 /nfs/dbraw/zinc/45/20/91/570452091.db2.gz KCUHKAYOHLPNAW-LYBHJNIJSA-N 0 0 375.428 5.643 40 30 GKEBRN Fc1ccccc1-c1nc2cc(/N=C/c3cccc(Br)c3)ccc2o1 ZINC000005771924 570456425 /nfs/dbraw/zinc/45/64/25/570456425.db2.gz ONORNJBEAJZPHF-FSJBWODESA-N 0 0 395.231 6.147 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675811 570457669 /nfs/dbraw/zinc/45/76/69/570457669.db2.gz SDINWEBYJPVCOK-IBGZPJMESA-N 0 0 382.529 5.149 40 30 GKEBRN C=CCOc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 ZINC000225868828 570457780 /nfs/dbraw/zinc/45/77/80/570457780.db2.gz BAUWSVVVIDSWTB-UHFFFAOYSA-N 0 0 380.557 5.483 40 30 GKEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000028352187 570458735 /nfs/dbraw/zinc/45/87/35/570458735.db2.gz 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HPISOWSXWHBIGJ-UHFFFAOYSA-N 0 0 377.847 5.355 40 30 GKEBRN COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3)CC[C@@H]12 ZINC000004533310 230835587 /nfs/dbraw/zinc/83/55/87/230835587.db2.gz CZUYRYFVJAOCAN-MLJUWFEFSA-N 0 0 386.535 6.204 40 30 GKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1Cl ZINC000409013803 529383092 /nfs/dbraw/zinc/38/30/92/529383092.db2.gz VUKHDOPUZMURON-GZPJKGAFSA-N 0 0 378.903 7.012 40 30 GKEBRN CC[C@@H](C)Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403941 529387616 /nfs/dbraw/zinc/38/76/16/529387616.db2.gz NVSZAPITJJKWGW-GOSISDBHSA-N 0 0 397.478 5.123 40 30 GKEBRN CC[C@@H](C)Oc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O ZINC000408605287 529387283 /nfs/dbraw/zinc/38/72/83/529387283.db2.gz YGJSHRUFRILTLT-FPXKJXHESA-N 0 0 380.513 5.372 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccc4ccccc34)cc1)C2 ZINC000100102534 231004460 /nfs/dbraw/zinc/00/44/60/231004460.db2.gz LBVSBIXVKCLGQN-LQKURTRISA-N 0 0 376.503 6.727 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3c(O)ccc4ccccc43)cc1)C2 ZINC000100102509 231004484 /nfs/dbraw/zinc/00/44/84/231004484.db2.gz ZIHWHMUZDQLHKC-RWPZCVJISA-N 0 0 392.502 6.433 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116589 231004533 /nfs/dbraw/zinc/00/45/33/231004533.db2.gz DWMMVJOQACOQQS-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000122225981 231025013 /nfs/dbraw/zinc/02/50/13/231025013.db2.gz JKMSWABGIFNBKZ-UHFFFAOYSA-N 0 0 392.267 5.119 40 30 GKEBRN Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@H](C)CC(C)(C)N2C ZINC000198080577 231029241 /nfs/dbraw/zinc/02/92/41/231029241.db2.gz YIYGTOGVENTODQ-CLCAUBNZSA-N 0 0 398.550 7.260 40 30 GKEBRN Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@@H](C)CC(C)(C)N2C ZINC000198077018 231029245 /nfs/dbraw/zinc/02/92/45/231029245.db2.gz LIDHNBAZUMMQPR-OJWZXOLNSA-N 0 0 391.559 5.304 40 30 GKEBRN Cc1ccc(NC(=O)c2c(/N=C\c3ccccc3)sc3c2CCCC3)c(C)c1 ZINC000101890780 231011200 /nfs/dbraw/zinc/01/12/00/231011200.db2.gz VYDNHWCKPQTCHC-MYYYXRDXSA-N 0 0 388.536 6.247 40 30 GKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000111458957 231020881 /nfs/dbraw/zinc/02/08/81/231020881.db2.gz MELZMWRHTFKVHQ-CFRMEGHHSA-N 0 0 391.475 5.141 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(OC)c(OC)cc3C)cc2)cc1 ZINC000408548942 231057412 /nfs/dbraw/zinc/05/74/12/231057412.db2.gz NWQHIUIYDSGWJO-BUVRLJJBSA-N 0 0 377.440 5.564 40 30 GKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408590267 231070066 /nfs/dbraw/zinc/07/00/66/231070066.db2.gz OLTBVYDIDGOYDV-YSURURNPSA-N 0 0 386.282 6.233 40 30 GKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000408590627 231071033 /nfs/dbraw/zinc/07/10/33/231071033.db2.gz HHIHOGBRIAIKNK-AFUMVMLFSA-N 0 0 376.843 5.341 40 30 GKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1F ZINC000408592137 231071216 /nfs/dbraw/zinc/07/12/16/231071216.db2.gz LEJFTAOVPACYFK-RWPZCVJISA-N 0 0 397.453 5.560 40 30 GKEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccccc1Cl ZINC000408593708 231072127 /nfs/dbraw/zinc/07/21/27/231072127.db2.gz COFHWZQTQCYHAP-AFUMVMLFSA-N 0 0 376.843 5.341 40 30 GKEBRN Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408594981 231072131 /nfs/dbraw/zinc/07/21/31/231072131.db2.gz VETYKYVSLIFCFY-UUYOSTAYSA-N 0 0 383.835 5.206 40 30 GKEBRN COc1cc(F)c(Oc2ccccc2)cc1/C=N/OCc1cccc([N+](=O)[O-])c1 ZINC000408593649 231072170 /nfs/dbraw/zinc/07/21/70/231072170.db2.gz QTGYTFHTEOQODX-YDZHTSKRSA-N 0 0 396.374 5.086 40 30 GKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000408593286 231072276 /nfs/dbraw/zinc/07/22/76/231072276.db2.gz PFKDYEFGMRRJHB-ZVHZXABRSA-N 0 0 385.423 5.149 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000408601666 231075725 /nfs/dbraw/zinc/07/57/25/231075725.db2.gz LIABYYBYRSDHPH-FMCGGJTJSA-N 0 0 399.809 5.412 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc(Br)c1 ZINC000408692767 231094885 /nfs/dbraw/zinc/09/48/85/231094885.db2.gz UTSSEQJTVULLSN-VAWYXSNFSA-N 0 0 394.312 6.061 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408692297 231094978 /nfs/dbraw/zinc/09/49/78/231094978.db2.gz JGMUABJAZIURMP-MDWZMJQESA-N 0 0 394.312 6.061 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000408692570 231094981 /nfs/dbraw/zinc/09/49/81/231094981.db2.gz PMMZISATIMVPHR-SAPNQHFASA-N 0 0 378.471 6.623 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408692140 231095031 /nfs/dbraw/zinc/09/50/31/231095031.db2.gz FFESMTUNHZILBK-VAWYXSNFSA-N 0 0 384.306 6.605 40 30 GKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000408692909 231095095 /nfs/dbraw/zinc/09/50/95/231095095.db2.gz YFCLEQPHNQLDDJ-ZVHZXABRSA-N 0 0 391.906 5.563 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000408691694 231095287 /nfs/dbraw/zinc/09/52/87/231095287.db2.gz MEKMKWTZCFCHLJ-PKNBQFBNSA-N 0 0 397.301 6.777 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408692365 231095333 /nfs/dbraw/zinc/09/53/33/231095333.db2.gz KVMWEVOTDXCMIT-DHZHZOJOSA-N 0 0 394.858 5.860 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 ZINC000408692781 231095379 /nfs/dbraw/zinc/09/53/79/231095379.db2.gz VFFHXJYHXPTHHG-CCEZHUSRSA-N 0 0 376.459 5.766 40 30 GKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2)c(C)c1 ZINC000408722120 231106140 /nfs/dbraw/zinc/10/61/40/231106140.db2.gz FBPZJLURLIRYQK-GYHWCHFESA-N 0 0 388.423 5.015 40 30 GKEBRN O=C(/C=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000408622519 231083946 /nfs/dbraw/zinc/08/39/46/231083946.db2.gz PTNJGLXCMIFCNU-PKNBQFBNSA-N 0 0 383.274 6.469 40 30 GKEBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C#N)c1Cl ZINC000408623369 231085002 /nfs/dbraw/zinc/08/50/02/231085002.db2.gz SWYBGEHAWQNYON-UHFFFAOYSA-N 0 0 383.662 5.153 40 30 GKEBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1C ZINC000408623417 231085146 /nfs/dbraw/zinc/08/51/46/231085146.db2.gz TZQIGZUCMFXLQO-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 ZINC000408624503 231086466 /nfs/dbraw/zinc/08/64/66/231086466.db2.gz UUUAPKCERINNLS-BUHFOSPRSA-N 0 0 387.479 5.555 40 30 GKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000408628802 231089250 /nfs/dbraw/zinc/08/92/50/231089250.db2.gz AQLCVOCHAWVUGS-LBPRGKRZSA-N 0 0 396.899 5.910 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 ZINC000408656272 231092065 /nfs/dbraw/zinc/09/20/65/231092065.db2.gz LWBRRFNXNYSRHA-NTCAYCPXSA-N 0 0 392.458 5.466 40 30 GKEBRN Clc1ccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)cc1Cl ZINC000408818671 231118504 /nfs/dbraw/zinc/11/85/04/231118504.db2.gz YKEQKPMNCOJLCX-DHRITJCHSA-N 0 0 394.305 6.442 40 30 GKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccccc1 ZINC000408850493 231121323 /nfs/dbraw/zinc/12/13/23/231121323.db2.gz OCTCQWCMLNVXAR-OCLIMTSPSA-N 0 0 377.513 5.264 40 30 GKEBRN Clc1ccc(Sc2oc(/C=N\C3CCCCC3)cc2Br)cc1 ZINC000408851950 231121415 /nfs/dbraw/zinc/12/14/15/231121415.db2.gz CDMPLZJOJVWEBG-JAIQZWGSSA-N 0 0 398.753 6.598 40 30 GKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000408852958 231121625 /nfs/dbraw/zinc/12/16/25/231121625.db2.gz XOEUZSLHYXZHPV-NDENLUEZSA-N 0 0 384.233 5.207 40 30 GKEBRN O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408849055 231121963 /nfs/dbraw/zinc/12/19/63/231121963.db2.gz XWZRSDRVNSUIMQ-NJMAKWBESA-N 0 0 396.487 5.468 40 30 GKEBRN Cc1cc(C=NNc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408859492 231122567 /nfs/dbraw/zinc/12/25/67/231122567.db2.gz XIISTSCMCPWZEP-MXAYSNPKSA-N 0 0 399.321 6.635 40 30 GKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408862075 231122949 /nfs/dbraw/zinc/12/29/49/231122949.db2.gz IARFEJBQUWEFDR-ICGSIJDTSA-N 0 0 376.525 5.869 40 30 GKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000408863780 231122984 /nfs/dbraw/zinc/12/29/84/231122984.db2.gz QVQVBVIIJHVUFI-CHHVJCJISA-N 0 0 397.714 5.847 40 30 GKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccccc1 ZINC000408866557 231123015 /nfs/dbraw/zinc/12/30/15/231123015.db2.gz HECLBORAOHEZMI-RTOCDXOVSA-N 0 0 392.524 5.575 40 30 GKEBRN O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408868889 231123646 /nfs/dbraw/zinc/12/36/46/231123646.db2.gz OAMJPTIQDSRKME-NJMAKWBESA-N 0 0 396.487 5.468 40 30 GKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408911285 231129283 /nfs/dbraw/zinc/12/92/83/231129283.db2.gz JUWVLTNZZUBBLS-OQNHBUHUSA-N 0 0 398.531 6.108 40 30 GKEBRN O/N=C(C(=N/O)\c1cc(Cl)ccc1Cl)/c1cc(Cl)ccc1Cl ZINC000408730821 231107499 /nfs/dbraw/zinc/10/74/99/231107499.db2.gz IWLRSDXPMUEWBK-AXPXABNXSA-N 0 0 378.042 5.357 40 30 GKEBRN COc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c(OC)c1 ZINC000408733595 231107507 /nfs/dbraw/zinc/10/75/07/231107507.db2.gz LJXDRZAVPOGALI-VULFUBBASA-N 0 0 386.495 5.591 40 30 GKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000408737324 231108359 /nfs/dbraw/zinc/10/83/59/231108359.db2.gz BSRGMZFFBMERSC-CHHVJCJISA-N 0 0 397.714 5.847 40 30 GKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000408740168 231109278 /nfs/dbraw/zinc/10/92/78/231109278.db2.gz IZGCPBNHPKKMEW-FSJBWODESA-N 0 0 391.452 5.726 40 30 GKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(F)cc1 ZINC000408738365 231109689 /nfs/dbraw/zinc/10/96/89/231109689.db2.gz WAOSQPMOBCBMKO-DHRITJCHSA-N 0 0 377.488 5.796 40 30 GKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cn1 ZINC000408738548 231110055 /nfs/dbraw/zinc/11/00/55/231110055.db2.gz LUJREIPMZVNAGX-SRZZPIQSSA-N 0 0 384.277 5.011 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1 ZINC000408751802 231111738 /nfs/dbraw/zinc/11/17/38/231111738.db2.gz CLLXAJAMKMFUPQ-AQTBWJFISA-N 0 0 392.505 5.631 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccc(Cl)c3Cl)o2)nc1 ZINC000408750634 231111747 /nfs/dbraw/zinc/11/17/47/231111747.db2.gz PRFINKLHGJJSPS-AWQFTUOYSA-N 0 0 377.187 5.003 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408765135 231112832 /nfs/dbraw/zinc/11/28/32/231112832.db2.gz WRCMBTNGQDOPCW-STZFKDTASA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408769210 231113344 /nfs/dbraw/zinc/11/33/44/231113344.db2.gz PKPQUTDYKHHXKD-JJFYIABZSA-N 0 0 388.254 6.060 40 30 GKEBRN COc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl ZINC000408786398 231113825 /nfs/dbraw/zinc/11/38/25/231113825.db2.gz JHSLIODZAJMLFE-WSDLNYQXSA-N 0 0 383.835 5.415 40 30 GKEBRN Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1 ZINC000408778187 231114375 /nfs/dbraw/zinc/11/43/75/231114375.db2.gz QJUYRGIPGWVZMR-JJFYIABZSA-N 0 0 397.272 5.336 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000408799995 231115426 /nfs/dbraw/zinc/11/54/26/231115426.db2.gz MMNXDBCTAWUKKQ-QFEZKATASA-N 0 0 376.431 5.211 40 30 GKEBRN O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccc(F)cc1 ZINC000408806432 231116113 /nfs/dbraw/zinc/11/61/13/231116113.db2.gz DWNFHAAYRWYBPI-CFRMEGHHSA-N 0 0 382.822 5.247 40 30 GKEBRN O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1cccc(Cl)c1 ZINC000408809227 231116488 /nfs/dbraw/zinc/11/64/88/231116488.db2.gz RCCDURMXCWYTHM-CFRMEGHHSA-N 0 0 382.822 5.247 40 30 GKEBRN O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000408804982 231116701 /nfs/dbraw/zinc/11/67/01/231116701.db2.gz ICMYKRKPFJXURE-CFRMEGHHSA-N 0 0 399.277 5.762 40 30 GKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1)c1ccccc1 ZINC000408808011 231116865 /nfs/dbraw/zinc/11/68/65/231116865.db2.gz IRXHQFNYLNFGTH-HAWKZNDISA-N 0 0 392.886 5.347 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c1C ZINC000408960685 231135856 /nfs/dbraw/zinc/13/58/56/231135856.db2.gz NTTNUYQARLUYNV-QNGOZBTKSA-N 0 0 391.540 5.185 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCCC4)cc3)S2)c(C)c1 ZINC000408961067 231135902 /nfs/dbraw/zinc/13/59/02/231135902.db2.gz QRBZYLRQJXUJTA-QNGOZBTKSA-N 0 0 391.540 5.185 40 30 GKEBRN O=C(C=CNc1ccc(Br)cc1Br)c1ccc(F)cc1 ZINC000409054567 231152395 /nfs/dbraw/zinc/15/23/95/231152395.db2.gz BYNQQSMZVNOJGZ-BQYQJAHWSA-N 0 0 399.057 5.159 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3C)S2)cc1 ZINC000408965354 231137200 /nfs/dbraw/zinc/13/72/00/231137200.db2.gz KOUNBKPIZHZUEP-KGENOOAVSA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965417 231137472 /nfs/dbraw/zinc/13/74/72/231137472.db2.gz HDSGIZKAXNXYTC-VEILYXNESA-N 0 0 380.535 7.295 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968329 231138427 /nfs/dbraw/zinc/13/84/27/231138427.db2.gz VMYAHJDGEKUXPG-WGARJPEWSA-N 0 0 399.365 7.449 40 30 GKEBRN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 ZINC000408974251 231139594 /nfs/dbraw/zinc/13/95/94/231139594.db2.gz DOTGBVRLGZJXCZ-ODLFYWEKSA-N 0 0 380.385 5.017 40 30 GKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408977367 231140389 /nfs/dbraw/zinc/14/03/89/231140389.db2.gz DAOGBVGCUYUKKI-UHFFFAOYSA-N 0 0 395.437 5.418 40 30 GKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3O)sc2-c2ccccc2)cc1C ZINC000408976338 231140434 /nfs/dbraw/zinc/14/04/34/231140434.db2.gz QQIDTTOUGOJLTR-MFKUBSTISA-N 0 0 399.519 6.246 40 30 GKEBRN Cc1cccc(Cn2cc(-c3c(C#N)c(N)nc4c3CCCC4)c3ccccc32)c1 ZINC000408977735 231140543 /nfs/dbraw/zinc/14/05/43/231140543.db2.gz FKJXUCRGNPZQFH-UHFFFAOYSA-N 0 0 392.506 5.223 40 30 GKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C/C=C/c1ccccc1)CCCC2 ZINC000408980881 231140828 /nfs/dbraw/zinc/14/08/28/231140828.db2.gz GGTAFKHGKHUETO-SWHXDCQXSA-N 0 0 390.508 5.566 40 30 GKEBRN N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(F)cc3)c3ccccc13)CCCC2 ZINC000408980688 231141210 /nfs/dbraw/zinc/14/12/10/231141210.db2.gz SHMHHYXESUGLQF-UHFFFAOYSA-N 0 0 396.469 5.054 40 30 GKEBRN O=C(NCc1ccco1)c1c(/N=C\c2cccc(F)c2)sc2c1CCCC2 ZINC000408978720 231141469 /nfs/dbraw/zinc/14/14/69/231141469.db2.gz ATRWTPWCXJILIV-MSXFZWOLSA-N 0 0 382.460 5.040 40 30 GKEBRN COCc1cc(C)nc(N=NCc2c3ccccc3c(C)c3ccccc32)c1C#N ZINC000408999251 231145033 /nfs/dbraw/zinc/14/50/33/231145033.db2.gz UFGGZBUSVQRIBF-VYYCAZPPSA-N 0 0 394.478 5.469 40 30 GKEBRN N#Cc1ccc(-c2ccc(/C=N\c3cccc(I)c3)o2)cc1 ZINC000409018769 231147770 /nfs/dbraw/zinc/14/77/70/231147770.db2.gz UJGXOCMHBXKRGJ-MTJSOVHGSA-N 0 0 398.203 5.173 40 30 GKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1C1CCCCC1 ZINC000409037954 231149245 /nfs/dbraw/zinc/14/92/45/231149245.db2.gz VAISTWVXQDTDJC-OPVMPGTRSA-N 0 0 387.343 5.324 40 30 GKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cccc(C)c1 ZINC000409040475 231150345 /nfs/dbraw/zinc/15/03/45/231150345.db2.gz YDRUDOVPOIPZKT-MWYAZZEHSA-N 0 0 395.322 5.116 40 30 GKEBRN O=C(C=CNc1ccc(Br)cc1Br)c1ccccc1 ZINC000409057447 231151941 /nfs/dbraw/zinc/15/19/41/231151941.db2.gz QERGNXUGWLJOPK-CMDGGOBGSA-N 0 0 381.067 5.020 40 30 GKEBRN CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc21 ZINC000408915609 231130174 /nfs/dbraw/zinc/13/01/74/231130174.db2.gz QFXOBRWVMAJYOH-DYEBMTOPSA-N 0 0 375.497 5.203 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000408912854 231130728 /nfs/dbraw/zinc/13/07/28/231130728.db2.gz RRQRSAQJELRJBA-POHNCSCLSA-N 0 0 375.497 5.489 40 30 GKEBRN Cc1ccc(Sc2oc(/C=N\c3ccccc3C)cc2Br)cc1 ZINC000408913781 231130747 /nfs/dbraw/zinc/13/07/47/231130747.db2.gz NSIOTXGAXQIXON-MTJSOVHGSA-N 0 0 386.314 6.561 40 30 GKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408931585 231133156 /nfs/dbraw/zinc/13/31/56/231133156.db2.gz NNVCEJMZNMGKJK-NLRVBDNBSA-N 0 0 386.495 5.161 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1c(C)cccc1C ZINC000408931103 231133403 /nfs/dbraw/zinc/13/34/03/231133403.db2.gz HGAAVZGWZZVQBI-YZSQISJMSA-N 0 0 387.527 5.298 40 30 GKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408938978 231133549 /nfs/dbraw/zinc/13/35/49/231133549.db2.gz LMVPMVHULOOKQJ-NKGWJLGUSA-N 0 0 394.518 6.662 40 30 GKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408939257 231133644 /nfs/dbraw/zinc/13/36/44/231133644.db2.gz MDLUVSUEKKPUQK-LRIBMLBNSA-N 0 0 396.490 5.978 40 30 GKEBRN N#Cc1ccccc1COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408942300 231133791 /nfs/dbraw/zinc/13/37/91/231133791.db2.gz XHEJDYHMKWUNNA-VYYCAZPPSA-N 0 0 395.384 5.602 40 30 GKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408939429 231134305 /nfs/dbraw/zinc/13/43/05/231134305.db2.gz MLZDFEZCSWUXSD-PCVHLMMSSA-N 0 0 380.491 6.272 40 30 GKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408938973 231134417 /nfs/dbraw/zinc/13/44/17/231134417.db2.gz LMVPMVHULOOKQJ-KTWPFSSRSA-N 0 0 394.518 6.662 40 30 GKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c1 ZINC000408959882 231134857 /nfs/dbraw/zinc/13/48/57/231134857.db2.gz HKAKEMMFYQGOTA-STZFKDTASA-N 0 0 391.540 5.104 40 30 GKEBRN Fc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1N1CCOCC1 ZINC000409138489 231170549 /nfs/dbraw/zinc/17/05/49/231170549.db2.gz COVVRQIZDQAOIL-KOEQRZSOSA-N 0 0 376.431 5.205 40 30 GKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)cc1 ZINC000409064671 231153063 /nfs/dbraw/zinc/15/30/63/231153063.db2.gz DJXOBNYBBKIEDF-NLRVBDNBSA-N 0 0 386.495 5.683 40 30 GKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000409079175 231155849 /nfs/dbraw/zinc/15/58/49/231155849.db2.gz KXLVQQBUDUPODC-GMJSKMFWSA-N 0 0 382.529 5.539 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409079431 231155871 /nfs/dbraw/zinc/15/58/71/231155871.db2.gz JUEWTJDQWMFTCV-VSRRSJTHSA-N 0 0 375.541 6.311 40 30 GKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1O ZINC000409083093 231156224 /nfs/dbraw/zinc/15/62/24/231156224.db2.gz UQCZCEBJEVLXPA-HZZGJGATSA-N 0 0 398.528 5.244 40 30 GKEBRN Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000409087994 231156933 /nfs/dbraw/zinc/15/69/33/231156933.db2.gz DJCQFTAMIMQSAQ-WQKDKYNYSA-N 0 0 381.501 5.738 40 30 GKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)cc1Cl ZINC000409089530 231157152 /nfs/dbraw/zinc/15/71/52/231157152.db2.gz NZCVJEMRQOHKJO-UUYOSTAYSA-N 0 0 379.287 5.361 40 30 GKEBRN CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000409089466 231157207 /nfs/dbraw/zinc/15/72/07/231157207.db2.gz JEZHMUFXOXQNNL-OXVLKEGXSA-N 0 0 389.568 6.496 40 30 GKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc2n1C ZINC000409086334 231157419 /nfs/dbraw/zinc/15/74/19/231157419.db2.gz QIICLSNEXSVDLU-JOBSNELWSA-N 0 0 389.568 6.322 40 30 GKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000409090021 231157907 /nfs/dbraw/zinc/15/79/07/231157907.db2.gz OCHRMUPXXCWJBG-XMTZNVEYSA-N 0 0 397.500 5.438 40 30 GKEBRN COc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl ZINC000409092275 231158058 /nfs/dbraw/zinc/15/80/58/231158058.db2.gz UZTVCJKKJALTEU-VULFUBBASA-N 0 0 395.930 6.273 40 30 GKEBRN COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000409091568 231158240 /nfs/dbraw/zinc/15/82/40/231158240.db2.gz VGFMTEFPLJDHJJ-CCEZHUSRSA-N 0 0 379.843 5.949 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccccc1OCc1cccc2ccccc21 ZINC000409096312 231158823 /nfs/dbraw/zinc/15/88/23/231158823.db2.gz KNAOISGWRJBZID-MFKUBSTISA-N 0 0 398.422 5.168 40 30 GKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000409098333 231160009 /nfs/dbraw/zinc/16/00/09/231160009.db2.gz PLUDQTUFHRAPRX-FMCGGJTJSA-N 0 0 392.738 7.549 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000409104561 231161617 /nfs/dbraw/zinc/16/16/17/231161617.db2.gz JTRMHPFEZUBFED-LPYMAVHISA-N 0 0 382.803 5.800 40 30 GKEBRN Cc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409106357 231161846 /nfs/dbraw/zinc/16/18/46/231161846.db2.gz RMIPSZWQQGXHRB-XKZIYDEJSA-N 0 0 382.872 6.458 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O ZINC000409174948 231174978 /nfs/dbraw/zinc/17/49/78/231174978.db2.gz WKUOCWYUFCBOOT-HYARGMPZSA-N 0 0 396.471 5.462 40 30 GKEBRN O=C(C=CNc1ccc(Br)cc1Cl)c1cccc2ccccc21 ZINC000409177657 231175243 /nfs/dbraw/zinc/17/52/43/231175243.db2.gz BPYSNLWQTJNLSS-ZHACJKMWSA-N 0 0 386.676 6.064 40 30 GKEBRN N#Cc1c(NC(=O)CSc2cccc3ccccc32)sc2c1CCCC2 ZINC000409177477 231175511 /nfs/dbraw/zinc/17/55/11/231175511.db2.gz BERSAHSQRHDFJS-UHFFFAOYSA-N 0 0 378.522 5.383 40 30 GKEBRN Cc1ccc(N=Nc2ccc(NC=CC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000409183872 231176136 /nfs/dbraw/zinc/17/61/36/231176136.db2.gz UJDHNAATTOAOAZ-HOEFDXFSSA-N 0 0 391.474 7.372 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409199388 231177992 /nfs/dbraw/zinc/17/79/92/231177992.db2.gz CQOAHULIOJTZHG-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409199949 231178461 /nfs/dbraw/zinc/17/84/61/231178461.db2.gz FZIMRYWFPMSIDK-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409200021 231178536 /nfs/dbraw/zinc/17/85/36/231178536.db2.gz FKTSLIAQMABTAZ-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cc(Cl)ccc2C)c1 ZINC000409199812 231178665 /nfs/dbraw/zinc/17/86/65/231178665.db2.gz DXMMAGVIHWPBGU-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN O=C(COc1ccc2ccccc2c1/C=N/c1ccccc1)Nc1ccccc1 ZINC000409203483 231178866 /nfs/dbraw/zinc/17/88/66/231178866.db2.gz YFLZPZBTGCWNOE-YZSQISJMSA-N 0 0 380.447 5.608 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1 ZINC000409202136 231178921 /nfs/dbraw/zinc/17/89/21/231178921.db2.gz PDYZBIJUTLYOSZ-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN COc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409203944 231179091 /nfs/dbraw/zinc/17/90/91/231179091.db2.gz ZQJRCOJZJUAVEE-DJKKODMXSA-N 0 0 397.110 5.588 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C ZINC000409201255 231179164 /nfs/dbraw/zinc/17/91/64/231179164.db2.gz KVVUXVNBSWIBIS-MXAYSNPKSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)cc1C ZINC000409200870 231179309 /nfs/dbraw/zinc/17/93/09/231179309.db2.gz JVVBWIWXROVYSH-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409203814 231179529 /nfs/dbraw/zinc/17/95/29/231179529.db2.gz YYYDRZDERBNSFQ-USHMODERSA-N 0 0 393.486 7.117 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000409202554 231179536 /nfs/dbraw/zinc/17/95/36/231179536.db2.gz RKLAWGGXWILXKG-HMAPJEAMSA-N 0 0 385.872 5.167 40 30 GKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409200630 231179556 /nfs/dbraw/zinc/17/95/56/231179556.db2.gz JAMGCPSNBPVFJS-MTDXEUNCSA-N 0 0 397.449 6.948 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cccc(C)c3C)c2)cc1 ZINC000409200678 231179681 /nfs/dbraw/zinc/17/96/81/231179681.db2.gz JQRICZGFIJNRGF-HAHDFKILSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000409213730 231180891 /nfs/dbraw/zinc/18/08/91/231180891.db2.gz VBKUAGJTAHXPLS-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1 ZINC000409211768 231181103 /nfs/dbraw/zinc/18/11/03/231181103.db2.gz ODNGYGBJDWLGNQ-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000409213203 231181311 /nfs/dbraw/zinc/18/13/11/231181311.db2.gz SZSBVWMCTTVSRM-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000409210886 231181614 /nfs/dbraw/zinc/18/16/14/231181614.db2.gz HJTXYQUBPWGYNM-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000409212397 231181676 /nfs/dbraw/zinc/18/16/76/231181676.db2.gz LVUZKHKANUDKKI-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1Cl ZINC000409209836 231181717 /nfs/dbraw/zinc/18/17/17/231181717.db2.gz JITJXICJUGFTRK-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409217031 231182119 /nfs/dbraw/zinc/18/21/19/231182119.db2.gz NITXFWSCGPIYEC-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2)cc1Cl ZINC000409216522 231182188 /nfs/dbraw/zinc/18/21/88/231182188.db2.gz IWDJCDNMKQKECL-ZVHZXABRSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1Cl ZINC000409215254 231182469 /nfs/dbraw/zinc/18/24/69/231182469.db2.gz WEAZCGGXNINDRA-YUMHPJSZSA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217880 231182484 /nfs/dbraw/zinc/18/24/84/231182484.db2.gz XXINHRSMUZZNGI-YDZHTSKRSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 ZINC000409215972 231182628 /nfs/dbraw/zinc/18/26/28/231182628.db2.gz GZEWODKLKOHEJS-WPWMEQJKSA-N 0 0 394.474 5.916 40 30 GKEBRN FC(F)(F)c1ccccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000409215741 231182655 /nfs/dbraw/zinc/18/26/55/231182655.db2.gz ANRQDKYKYMGKMC-FOKLQQMPSA-N 0 0 387.386 6.021 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409218790 231182665 /nfs/dbraw/zinc/18/26/65/231182665.db2.gz KUUULQJEGUIGOQ-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(C)c3)cc2)cc1 ZINC000409229034 231182978 /nfs/dbraw/zinc/18/29/78/231182978.db2.gz ISDAFZAFFYCYFM-OEAKJJBVSA-N 0 0 396.353 6.968 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3C)o2)c(Br)c1 ZINC000409234776 231183949 /nfs/dbraw/zinc/18/39/49/231183949.db2.gz MJNJZYOWOHPDBL-SRZZPIQSSA-N 0 0 399.244 5.985 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409231863 231184710 /nfs/dbraw/zinc/18/47/10/231184710.db2.gz LDRLCISUXLUYDP-LPYMAVHISA-N 0 0 382.872 6.458 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3O)o2)c(Br)c1 ZINC000409233094 231184761 /nfs/dbraw/zinc/18/47/61/231184761.db2.gz KBWNBJAYUAEYBP-FBHDLOMBSA-N 0 0 390.664 6.127 40 30 GKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccc5ccccc5c4)ccc32)c1 ZINC000409238836 231185187 /nfs/dbraw/zinc/18/51/87/231185187.db2.gz NZIACFOBGIHMHU-OGLMXYFKSA-N 0 0 378.450 6.733 40 30 GKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4cccc(Cl)c4Cl)ccc32)c1 ZINC000409235276 231185865 /nfs/dbraw/zinc/18/58/65/231185865.db2.gz ZJJOQRLQNOMDLQ-LGJNPRDNSA-N 0 0 397.280 6.886 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c(Br)c1 ZINC000409243838 231186472 /nfs/dbraw/zinc/18/64/72/231186472.db2.gz UYXKSKVFKBIRCQ-LSHDLFTRSA-N 0 0 392.655 6.561 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000409243291 231186770 /nfs/dbraw/zinc/18/67/70/231186770.db2.gz ROGSZTUPEYHASO-XIEYBQDHSA-N 0 0 388.536 5.733 40 30 GKEBRN Oc1cc(Cl)ccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409251356 231187779 /nfs/dbraw/zinc/18/77/79/231187779.db2.gz PNODNRGRKJPVRN-DHRITJCHSA-N 0 0 378.834 5.938 40 30 GKEBRN Cc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc2n1C ZINC000409281865 231188713 /nfs/dbraw/zinc/18/87/13/231188713.db2.gz NGLVJNHGAQVEMN-UHFFFAOYSA-N 0 0 398.510 5.127 40 30 GKEBRN Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1Br ZINC000409369233 231195851 /nfs/dbraw/zinc/19/58/51/231195851.db2.gz INNBEFXVKVQPNA-LFIBNONCSA-N 0 0 379.253 5.840 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3F)c2)cc1C ZINC000409370908 231196275 /nfs/dbraw/zinc/19/62/75/231196275.db2.gz VHSNXKWNHMHRRX-QFEZKATASA-N 0 0 376.431 5.211 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3Cl)c2)cc1C ZINC000409371502 231196556 /nfs/dbraw/zinc/19/65/56/231196556.db2.gz WUOXXWPDEFWPJE-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2)o1 ZINC000409401731 231201293 /nfs/dbraw/zinc/20/12/93/231201293.db2.gz BXARHLHBWANNKH-UHFFFAOYSA-N 0 0 391.430 5.206 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)cc2C)C(=O)N1CC ZINC000408914470 529563482 /nfs/dbraw/zinc/56/34/82/529563482.db2.gz NZHYFNSYZLZEIH-QNQNADBQSA-N 0 0 380.513 5.190 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2)C(=O)N1C1CCCCC1 ZINC000408907280 529563788 /nfs/dbraw/zinc/56/37/88/529563788.db2.gz AKKZPPGAUCTEFF-AIQBXGKYSA-N 0 0 390.552 6.186 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 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GKEBRN O=C1C=C(c2ccccc2)C(=O)[C@@]2(c3ccccc3)C=CC[C@@H](c3ccccc3)[C@@H]12 ZINC000005203198 206598870 /nfs/dbraw/zinc/59/88/70/206598870.db2.gz BMIREVXEZWIFLP-PAUTXSKSSA-N 0 0 390.482 5.520 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000005376308 206608824 /nfs/dbraw/zinc/60/88/24/206608824.db2.gz YYEHOVUHRDJOES-NVNXTCNLSA-N 0 0 396.821 5.559 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N ZINC000100933986 211394914 /nfs/dbraw/zinc/39/49/14/211394914.db2.gz YFZCQAHHQVDSFW-UHFFFAOYSA-N 0 0 389.628 6.904 40 30 GKEBRN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 ZINC000006982539 206697846 /nfs/dbraw/zinc/69/78/46/206697846.db2.gz LZUZXHIKNBOARF-JAQXZBBUSA-N 0 0 383.520 5.590 40 30 GKEBRN Cc1nn2c(c1-c1ccc(F)cc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccccc1 ZINC000014163742 207012819 /nfs/dbraw/zinc/01/28/19/207012819.db2.gz BQZFEPXVQWSTGD-QKFKETGDSA-N 0 0 387.458 5.266 40 30 GKEBRN COc1ccccc1Oc1ccccc1NC=CC(=O)c1cccc2ccccc21 ZINC000409179149 532953588 /nfs/dbraw/zinc/95/35/88/532953588.db2.gz KKNVHXMNJUZOCR-ISLYRVAYSA-N 0 0 395.458 6.449 40 30 GKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409239177 532954447 /nfs/dbraw/zinc/95/44/47/532954447.db2.gz GUWPEYVDOIGUMP-LGUFXXKBSA-N 0 0 385.511 6.180 40 30 GKEBRN O/N=C1/CCCCCC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100938986 208382963 /nfs/dbraw/zinc/38/29/63/208382963.db2.gz JSXAOWJDWBUNRJ-BZSPEZQHSA-N 0 0 392.524 6.654 40 30 GKEBRN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc2c(cc1Cl)OCO2 ZINC000101017895 208384995 /nfs/dbraw/zinc/38/49/95/208384995.db2.gz IFBOZSLDMRCDMZ-ZVBGSRNCSA-N 0 0 385.876 5.310 40 30 GKEBRN Fc1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N/c2ccccc2)cc1 ZINC000102817875 208411643 /nfs/dbraw/zinc/41/16/43/208411643.db2.gz BHEHJBMUWWKGNG-KDMDJZHMSA-N 0 0 391.496 6.124 40 30 GKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 ZINC000005002824 208547220 /nfs/dbraw/zinc/54/72/20/208547220.db2.gz NPQUCFHFRGLVNT-NTFVMDSBSA-N 0 0 398.441 5.491 40 30 GKEBRN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccco1)C2 ZINC000020274797 210325547 /nfs/dbraw/zinc/32/55/47/210325547.db2.gz RQTHYXYXODOEIN-OYLFLEFRSA-N 0 0 386.451 5.268 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C#N ZINC000225760194 208975301 /nfs/dbraw/zinc/97/53/01/208975301.db2.gz QWTDSWHQERGOMB-UHFFFAOYSA-N 0 0 390.527 5.886 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C#N)c1 ZINC000225763026 208975578 /nfs/dbraw/zinc/97/55/78/208975578.db2.gz FECISAFQYJWTKH-UHFFFAOYSA-N 0 0 394.490 5.717 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@@H]2c1ccccc1Cl ZINC000005734444 220894818 /nfs/dbraw/zinc/89/48/18/220894818.db2.gz VNMFPHPGMWWBLM-IBGZPJMESA-N 0 0 384.903 5.740 40 30 GKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000016136465 221357906 /nfs/dbraw/zinc/35/79/06/221357906.db2.gz LXTXNTRHCVDLDM-ZHACJKMWSA-N 0 0 397.643 5.143 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c(C)c1 ZINC000408908108 533241104 /nfs/dbraw/zinc/24/11/04/533241104.db2.gz DNZWTINYNOBLMJ-GRUKXCDCSA-N 0 0 394.540 5.572 40 30 GKEBRN COc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1Cl ZINC000223483115 533251209 /nfs/dbraw/zinc/25/12/09/533251209.db2.gz UNAXXPSVCDXXFC-AFUMVMLFSA-N 0 0 382.935 6.510 40 30 GKEBRN COc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409216953 533251476 /nfs/dbraw/zinc/25/14/76/533251476.db2.gz MPLUDWOGHXAKIT-CFRMEGHHSA-N 0 0 386.278 6.332 40 30 GKEBRN COc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1Cl ZINC000198081841 533251930 /nfs/dbraw/zinc/25/19/30/533251930.db2.gz KLQGJLZHNCFMIB-ZGUVFNMESA-N 0 0 391.342 6.475 40 30 GKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000409104514 533273188 /nfs/dbraw/zinc/27/31/88/533273188.db2.gz JIORRJCPIIPLAL-FOCLMDBBSA-N 0 0 393.870 6.340 40 30 GKEBRN COc1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408739690 533390625 /nfs/dbraw/zinc/39/06/25/533390625.db2.gz ZNSQFULDONBROM-LPYMAVHISA-N 0 0 383.289 5.616 40 30 GKEBRN COc1cccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000409379106 533390653 /nfs/dbraw/zinc/39/06/53/533390653.db2.gz UFMTUGOTEKKTIG-MFKUBSTISA-N 0 0 388.467 5.080 40 30 GKEBRN COc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408527229 533422078 /nfs/dbraw/zinc/42/20/78/533422078.db2.gz BKLHBPPGKMZZBB-DHDCSXOGSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409045034 533422330 /nfs/dbraw/zinc/42/23/30/533422330.db2.gz XRJIJPQUCCXLIY-UHFFFAOYSA-N 0 0 393.266 5.130 40 30 GKEBRN COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408622458 533470576 /nfs/dbraw/zinc/47/05/76/533470576.db2.gz PKTDNQCEFIAPNF-JQIJEIRASA-N 0 0 394.470 6.324 40 30 GKEBRN COc1cc(Br)cc(/C=N/N(c2ccccc2)c2ccccc2)c1O ZINC000408814611 533487835 /nfs/dbraw/zinc/48/78/35/533487835.db2.gz HKGDQYGLCNUPRE-HYARGMPZSA-N 0 0 397.272 5.336 40 30 GKEBRN O/N=C1/CCCCCCCCCC[C@@H]1N1CCN(c2ccccc2Cl)CC1 ZINC000100950507 136189249 /nfs/dbraw/zinc/18/92/49/136189249.db2.gz XNOULDUJRSBNPK-ATHPHSJWSA-N 0 0 391.987 5.575 40 30 GKEBRN COC(=O)c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl ZINC000409368728 533714321 /nfs/dbraw/zinc/71/43/21/533714321.db2.gz JYIUPJHMFGZMER-RVDMUPIBSA-N 0 0 378.811 5.209 40 30 GKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 ZINC000409186843 533719048 /nfs/dbraw/zinc/71/90/48/533719048.db2.gz INHKLFPWEPBPSV-MYYYXRDXSA-N 0 0 390.483 5.175 40 30 GKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408787253 533719746 /nfs/dbraw/zinc/71/97/46/533719746.db2.gz VXKKCPGKILBVST-YUMHPJSZSA-N 0 0 385.486 6.391 40 30 GKEBRN COc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O ZINC000408875950 533833387 /nfs/dbraw/zinc/83/33/87/533833387.db2.gz ICZRSEMMPKFDQA-PXNMLYILSA-N 0 0 393.295 5.202 40 30 GKEBRN COc1cccc2c(/C=N\c3cccc4ccccc43)c(-c3ccccc3)[nH]c21 ZINC000408830500 533831373 /nfs/dbraw/zinc/83/13/73/533831373.db2.gz SBSBRKORKSXYSF-PKAZHMFMSA-N 0 0 376.459 6.747 40 30 GKEBRN COc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409077374 533836110 /nfs/dbraw/zinc/83/61/10/533836110.db2.gz DWYMZSWZHBYHHK-REMUQMNCSA-N 0 0 386.948 6.183 40 30 GKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 ZINC000408866919 533866922 /nfs/dbraw/zinc/86/69/22/533866922.db2.gz HKBDYQGBRSXMOE-ZDLGFXPLSA-N 0 0 386.904 5.364 40 30 GKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409214976 533875741 /nfs/dbraw/zinc/87/57/41/533875741.db2.gz VQTVCRCSKRPELW-HMAPJEAMSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409216375 533876914 /nfs/dbraw/zinc/87/69/14/533876914.db2.gz KMNXWHGFXOEKLM-YUMHPJSZSA-N 0 0 385.894 7.131 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4cnccc43)c2C)cc1 ZINC000408744146 533953300 /nfs/dbraw/zinc/95/33/00/533953300.db2.gz XBCZJOVXYFXABV-CVKSISIWSA-N 0 0 383.451 5.180 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc4cccnc43)c2C)cc1 ZINC000100279322 533953494 /nfs/dbraw/zinc/95/34/94/533953494.db2.gz MRZDAONNQKQFCV-YSMPRRRNSA-N 0 0 383.451 5.180 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc43)c2C)cc1 ZINC000408741435 533953516 /nfs/dbraw/zinc/95/35/16/533953516.db2.gz IVTDIVNEPBMKIN-WGOQTCKBSA-N 0 0 382.463 5.785 40 30 GKEBRN COC(=O)c1ccc(/N=C\c2c3cc(OC)ccc3[nH]c2-c2ccccc2)cc1 ZINC000408784582 533965066 /nfs/dbraw/zinc/96/50/66/533965066.db2.gz VEZRNJXRLRGOTG-MYYYXRDXSA-N 0 0 384.435 5.381 40 30 GKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409070753 534014924 /nfs/dbraw/zinc/01/49/24/534014924.db2.gz NDVKJQFBOZWFNP-CIAFOILYSA-N 0 0 391.456 5.058 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C)cc1C ZINC000409107600 534014049 /nfs/dbraw/zinc/01/40/49/534014049.db2.gz SBQILBBZKLTBPI-KBKYJPHKSA-N 0 0 386.421 5.571 40 30 GKEBRN Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(C)cc1 ZINC000409040358 534015514 /nfs/dbraw/zinc/01/55/14/534015514.db2.gz TXVCURNPEMVRSH-YCPBAFNGSA-N 0 0 395.322 5.116 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408739594 534016192 /nfs/dbraw/zinc/01/61/92/534016192.db2.gz YDQBPWLOUXVGSZ-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116727 534016414 /nfs/dbraw/zinc/01/64/14/534016414.db2.gz ZNYNMIVXYXPGDA-BUVRLJJBSA-N 0 0 375.472 6.050 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1c(C)cccc1C ZINC000408591874 534016603 /nfs/dbraw/zinc/01/66/03/534016603.db2.gz KWWNMYCRNBDWQT-YDZHTSKRSA-N 0 0 377.444 5.170 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408743094 534016630 /nfs/dbraw/zinc/01/66/30/534016630.db2.gz ZFDLEKBJJWHWQJ-YDZHTSKRSA-N 0 0 396.878 5.472 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000408595921 534016868 /nfs/dbraw/zinc/01/68/68/534016868.db2.gz XTSXBZQXHUDWAZ-YDZHTSKRSA-N 0 0 377.444 5.170 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000408779627 534017182 /nfs/dbraw/zinc/01/71/82/534017182.db2.gz ZQACLXRQHBBCPN-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1C ZINC000408587932 534017343 /nfs/dbraw/zinc/01/73/43/534017343.db2.gz APVQQZROTXYTBQ-FSJBWODESA-N 0 0 397.862 5.515 40 30 GKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408751879 534017370 /nfs/dbraw/zinc/01/73/70/534017370.db2.gz DHTWTUBYUXWWTM-WPWMEQJKSA-N 0 0 384.910 7.165 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020761726 534077377 /nfs/dbraw/zinc/07/73/77/534077377.db2.gz IDPZTXKTZMGCIY-FSJBWODESA-N 0 0 375.255 5.386 40 30 GKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCC3)c1 ZINC000408818892 534082449 /nfs/dbraw/zinc/08/24/49/534082449.db2.gz ZEOVAVNRNOMBLM-AFUMVMLFSA-N 0 0 389.524 5.642 40 30 GKEBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c(C)c1 ZINC000408621134 534129239 /nfs/dbraw/zinc/12/92/39/534129239.db2.gz JVELXKLCZGCXAT-UHFFFAOYSA-N 0 0 399.425 5.683 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(F)cc1 ZINC000408859588 534144090 /nfs/dbraw/zinc/14/40/90/534144090.db2.gz VIZWBKNXWAEXBU-UHFFFAOYSA-N 0 0 386.422 5.484 40 30 GKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1C(C)C ZINC000409296645 534146128 /nfs/dbraw/zinc/14/61/28/534146128.db2.gz UNWXOICAYJKFMN-UHFFFAOYSA-N 0 0 390.531 5.326 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C)c(C)c3)c3ccccc32)o1 ZINC000409394183 534164512 /nfs/dbraw/zinc/16/45/12/534164512.db2.gz WVWCMZMBQDAZTK-DHRITJCHSA-N 0 0 386.451 5.437 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(F)cc3F)c3ccccc32)o1 ZINC000409394243 534165557 /nfs/dbraw/zinc/16/55/57/534165557.db2.gz XOQNXZZYPLBAQJ-OPEKNORGSA-N 0 0 394.377 5.098 40 30 GKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000100295477 534170657 /nfs/dbraw/zinc/17/06/57/534170657.db2.gz WGOWGBMAFWTKHS-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)c(C)c2)cc1 ZINC000408819238 534171487 /nfs/dbraw/zinc/17/14/87/534171487.db2.gz YRFCXNISWKGPNK-MYYYXRDXSA-N 0 0 388.467 5.080 40 30 GKEBRN CSc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408749966 534181379 /nfs/dbraw/zinc/18/13/79/534181379.db2.gz VMZHLBPGUQGCOM-OVCLIPMQSA-N 0 0 395.336 5.607 40 30 GKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccccc2)cc1 ZINC000408723636 534205154 /nfs/dbraw/zinc/20/51/54/534205154.db2.gz YOXLYQAIRVAAKY-MFKUBSTISA-N 0 0 388.923 7.190 40 30 GKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 ZINC000059463805 534206117 /nfs/dbraw/zinc/20/61/17/534206117.db2.gz AZPSWRJMOMBHRD-MFKUBSTISA-N 0 0 388.923 7.190 40 30 GKEBRN COc1ccc(OC)c(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000408737703 534225803 /nfs/dbraw/zinc/22/58/03/534225803.db2.gz VNDDZTDVODRIFS-KOEQRZSOSA-N 0 0 383.451 5.307 40 30 GKEBRN Cc1ccc(-c2oc(/N=C/c3cccc(O)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409363954 534235593 /nfs/dbraw/zinc/23/55/93/534235593.db2.gz KFXOBENVZTXMKW-LQKURTRISA-N 0 0 392.458 6.558 40 30 GKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1C ZINC000408967030 534239587 /nfs/dbraw/zinc/23/95/87/534239587.db2.gz RRQUMFBAVHIQTB-DEDYPNTBSA-N 0 0 391.471 5.125 40 30 GKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)c1 ZINC000408966876 534239772 /nfs/dbraw/zinc/23/97/72/534239772.db2.gz RAMHJWSRMJTLGC-DEDYPNTBSA-N 0 0 391.471 5.125 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408866577 534248424 /nfs/dbraw/zinc/24/84/24/534248424.db2.gz HEZXUUVVKVTWGX-IEACCXQMSA-N 0 0 390.552 6.178 40 30 GKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409210126 534251791 /nfs/dbraw/zinc/25/17/91/534251791.db2.gz IJWJRVFZQUREQQ-YDZHTSKRSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl ZINC000409216263 534251874 /nfs/dbraw/zinc/25/18/74/534251874.db2.gz GTAGMXYSFDXVGX-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1C ZINC000409203396 534251991 /nfs/dbraw/zinc/25/19/91/534251991.db2.gz XTLGOBNYCJMMAI-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2C(C)C)cc1 ZINC000408908406 534251997 /nfs/dbraw/zinc/25/19/97/534251997.db2.gz DUYQDDWTDUDHOI-DSBFQLCGSA-N 0 0 388.895 5.800 40 30 GKEBRN Cc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1C ZINC000409376019 534252111 /nfs/dbraw/zinc/25/21/11/534252111.db2.gz SGMZHPYAEHDTKR-CVKSISIWSA-N 0 0 386.495 5.688 40 30 GKEBRN Cc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 ZINC000409160063 534252172 /nfs/dbraw/zinc/25/21/72/534252172.db2.gz PKBXPXXFJPSQGI-XDDJCLIKSA-N 0 0 389.524 5.764 40 30 GKEBRN COC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 ZINC000409249838 534252980 /nfs/dbraw/zinc/25/29/80/534252980.db2.gz PEBZFCBORMPQEN-UUYOSTAYSA-N 0 0 398.256 5.555 40 30 GKEBRN COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408963752 534252990 /nfs/dbraw/zinc/25/29/90/534252990.db2.gz APOJRAIFLQFNES-QQXSKIMKSA-N 0 0 388.511 5.929 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1C ZINC000409066311 534253093 /nfs/dbraw/zinc/25/30/93/534253093.db2.gz BOWOGNZSCFOMSU-ZVHZXABRSA-N 0 0 395.911 6.337 40 30 GKEBRN COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 ZINC000408967228 534253100 /nfs/dbraw/zinc/25/31/00/534253100.db2.gz RGMVDLANWBYLHN-YSMPRRRNSA-N 0 0 383.451 5.180 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409242194 534253149 /nfs/dbraw/zinc/25/31/49/534253149.db2.gz VHHRCJTZOUAYEQ-CVKSISIWSA-N 0 0 386.426 5.366 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000408628801 534266877 /nfs/dbraw/zinc/26/68/77/534266877.db2.gz AQLCVOCHAWVUGS-GFCCVEGCSA-N 0 0 396.899 5.910 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)c(C)c3)c3ccccc32)c1 ZINC000408542512 534266966 /nfs/dbraw/zinc/26/69/66/534266966.db2.gz LXZSZNJYXOFRPI-JFLMPSFJSA-N 0 0 396.490 5.844 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)cc3)c3ccccc32)c1 ZINC000408543107 534267309 /nfs/dbraw/zinc/26/73/09/534267309.db2.gz OZNHXWMCXBSHBN-VULFUBBASA-N 0 0 386.426 5.366 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(OC)c3)c3ccccc32)c1 ZINC000408542355 534266997 /nfs/dbraw/zinc/26/69/97/534266997.db2.gz LCLUWQVLGBIEBD-CVKSISIWSA-N 0 0 398.462 5.235 40 30 GKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2cccc(Br)c2)o1 ZINC000409194751 534285751 /nfs/dbraw/zinc/28/57/51/534285751.db2.gz QOVNBORHZCEZCK-CIAFOILYSA-N 0 0 384.229 5.246 40 30 GKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)o1 ZINC000409117291 534331622 /nfs/dbraw/zinc/33/16/22/534331622.db2.gz OCWBENAGPBPCIU-AUEPDCJTSA-N 0 0 390.321 5.023 40 30 GKEBRN Brc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000033398946 518208261 /nfs/dbraw/zinc/20/82/61/518208261.db2.gz VWAGWNJPAJZIDX-JAIQZWGSSA-N 0 0 398.285 5.765 40 30 GKEBRN C(=N/c1ccc2ccccc2c1)\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000003081925 518378121 /nfs/dbraw/zinc/37/81/21/518378121.db2.gz JDILGGMUZPOVJY-OEAKJJBVSA-N 0 0 386.501 6.944 40 30 GKEBRN c1ccc2c(c1)c(N=NCC1CCCCC1)nnc2N=NCC1CCCCC1 ZINC000017418703 518379007 /nfs/dbraw/zinc/37/90/07/518379007.db2.gz DEIUFPGNYMZUAV-REPVBDINSA-N 0 0 378.524 5.586 40 30 GKEBRN C(=N/c1ccc(/N=C/c2cccc3ccccc23)cc1)\c1cccc2ccccc12 ZINC000016526173 518379110 /nfs/dbraw/zinc/37/91/10/518379110.db2.gz XXCNFQLLXIAUEP-CZYCKNNWSA-N 0 0 384.482 7.494 40 30 GKEBRN C(=N\c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000100211990 518381601 /nfs/dbraw/zinc/38/16/01/518381601.db2.gz FEHMVYCMCCHJNH-GFHNIQJOSA-N 0 0 385.470 8.159 40 30 GKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000100191795 518415081 /nfs/dbraw/zinc/41/50/81/518415081.db2.gz RLIDXYDQARVYPH-YDZHTSKRSA-N 0 0 395.300 5.810 40 30 GKEBRN CC(N=Nc1nc2ccccc2c(-c2ccccc2)n1)c1nc2ccccc2n1C ZINC000102771570 518455023 /nfs/dbraw/zinc/45/50/23/518455023.db2.gz HKZVAMOHVUMRQY-NTFVMDSBSA-N 0 0 392.466 5.020 40 30 GKEBRN C/C(CC(=O)c1ccccc1)=N/CCCC/N=C(/C)CC(=O)c1ccccc1 ZINC000017120123 518473442 /nfs/dbraw/zinc/47/34/42/518473442.db2.gz DEOSFAQXYILCQW-DQIQZUARSA-N 0 0 376.500 5.234 40 30 GKEBRN C=C(C)Cc1cc([C@H](CC)[C@H](CC)c2ccc(O)c(CC(=C)C)c2)ccc1O ZINC000017303449 518636965 /nfs/dbraw/zinc/63/69/65/518636965.db2.gz WQKVOILCLLTXIZ-PSWAGMNNSA-N 0 0 378.556 7.022 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000100618085 518662494 /nfs/dbraw/zinc/66/24/94/518662494.db2.gz MECHNRXZTMCUDQ-VPHKPNIXSA-N 0 0 396.659 7.641 40 30 GKEBRN C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224722796 518814338 /nfs/dbraw/zinc/81/43/38/518814338.db2.gz KCZITSQREOQHKI-UHFFFAOYSA-N 0 0 391.920 5.043 40 30 GKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000020633274 518974056 /nfs/dbraw/zinc/97/40/56/518974056.db2.gz UJHIMNZDCFYXHP-QHCPKHFHSA-N 0 0 395.462 5.208 40 30 GKEBRN C=CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 ZINC000226340401 518977592 /nfs/dbraw/zinc/97/75/92/518977592.db2.gz CFLUCHOJTGRWGT-UHFFFAOYSA-N 0 0 395.680 5.333 40 30 GKEBRN C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CCCC ZINC000073634151 518978759 /nfs/dbraw/zinc/97/87/59/518978759.db2.gz KXRALZZPXDRELT-UHFFFAOYSA-N 0 0 391.467 5.280 40 30 GKEBRN C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1C(F)(F)F ZINC000225956979 519038430 /nfs/dbraw/zinc/03/84/30/519038430.db2.gz ZGTUGOFUSLNERJ-UHFFFAOYSA-N 0 0 391.433 5.786 40 30 GKEBRN C=CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000020050943 519039409 /nfs/dbraw/zinc/03/94/09/519039409.db2.gz LDDRGJNDWNCPSO-UHFFFAOYSA-N 0 0 384.479 5.066 40 30 GKEBRN C=CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009197614 519049950 /nfs/dbraw/zinc/04/99/50/519049950.db2.gz ZXBQBXURIXACQU-ZMOGYAJESA-N 0 0 385.294 5.835 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000022511664 519056482 /nfs/dbraw/zinc/05/64/82/519056482.db2.gz MQAHHJLFKVTCSK-UHFFFAOYSA-N 0 0 398.506 5.457 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000225511913 519058821 /nfs/dbraw/zinc/05/88/21/519058821.db2.gz BKJUJYDLHWAYIX-HSZRJFAPSA-N 0 0 388.536 5.636 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000223967772 519078051 /nfs/dbraw/zinc/07/80/51/519078051.db2.gz KIVIQCILDQLTPJ-UHFFFAOYSA-N 0 0 399.566 5.361 40 30 GKEBRN C=Cn1c(C(=O)C(F)(F)F)cc(CCCCCCCCC)c1-c1ccccc1 ZINC000103009015 519318978 /nfs/dbraw/zinc/31/89/78/519318978.db2.gz HNZQNTSLWFZBRZ-UHFFFAOYSA-N 0 0 391.477 7.294 40 30 GKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1cccc(Cl)c1 ZINC000072228611 519445659 /nfs/dbraw/zinc/44/56/59/519445659.db2.gz PQJPIMJGNMDLRN-UHFFFAOYSA-N 0 0 386.908 5.627 40 30 GKEBRN CC(C)N=Nc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 ZINC000072229804 519446300 /nfs/dbraw/zinc/44/63/00/519446300.db2.gz XGKXTKHEJBFDHX-UHFFFAOYSA-N 0 0 393.299 5.663 40 30 GKEBRN CC(C)C(N=Nc1nc2ccccc2o1)N=Nc1ccc(Br)cc1 ZINC000018053836 519446809 /nfs/dbraw/zinc/44/68/09/519446809.db2.gz CLTHRFMWPJNGNT-WFOXIITASA-N 0 0 386.253 5.756 40 30 GKEBRN CC(C)CC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)/C=C/c1ccccc1)C(C)C ZINC000017128646 519574297 /nfs/dbraw/zinc/57/42/97/519574297.db2.gz GXELYPUYAMBBKI-TXZXEOSYSA-N 0 0 376.540 6.330 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913013 519648436 /nfs/dbraw/zinc/64/84/36/519648436.db2.gz GPXIDAWDPZQTOS-STUZMOOUSA-N 0 0 384.648 7.597 40 30 GKEBRN Fc1ccc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)c(F)c1 ZINC000408976748 534451290 /nfs/dbraw/zinc/45/12/90/534451290.db2.gz SYHYPDZRJXFVJB-KXEZBXAJSA-N 0 0 388.242 5.366 40 30 GKEBRN CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660689 519881476 /nfs/dbraw/zinc/88/14/76/519881476.db2.gz XMMKRJBCWGTPOS-XMVNXQOFSA-N 0 0 386.576 5.866 40 30 GKEBRN CCCCCCC(=O)/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005430555 519948167 /nfs/dbraw/zinc/94/81/67/519948167.db2.gz VAKQPAWUSSIBFA-DTQAZKPQSA-N 0 0 381.428 5.367 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCC ZINC000080300588 519968965 /nfs/dbraw/zinc/96/89/65/519968965.db2.gz QTDSLDJPJJBBLE-CCEZHUSRSA-N 0 0 394.684 8.928 40 30 GKEBRN CCCCCCCCC#CCCCCCCCC(=O)c1nc2ncccc2o1 ZINC000034803574 519970515 /nfs/dbraw/zinc/97/05/15/519970515.db2.gz DBMKKVSGBYKSFI-UHFFFAOYSA-N 0 0 382.548 6.890 40 30 in-vivo GKEBRN CCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000068568987 519973502 /nfs/dbraw/zinc/97/35/02/519973502.db2.gz NHGDLUVNXOPKDQ-CYYJNZCTSA-N 0 0 394.559 8.101 40 30 GKEBRN CCCCCCCCCCCC(=O)N[C@@H](CSC)[C@H](O)CCCCCC ZINC000100302410 519982470 /nfs/dbraw/zinc/98/24/70/519982470.db2.gz FWXRYYWKKSLFEH-LEWJYISDSA-N 0 0 387.674 6.086 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000100579768 519983141 /nfs/dbraw/zinc/98/31/41/519983141.db2.gz JOVYNCMMKMSDAQ-UHFFFAOYSA-N 0 0 388.577 6.678 40 30 GKEBRN CCCCCCCCCCCC(=O)[C@H](CCCCCCCCCC)C(=O)OC ZINC000100302352 519983958 /nfs/dbraw/zinc/98/39/58/519983958.db2.gz MPNOPEYAQGNQJY-QHCPKHFHSA-N 0 0 396.656 7.796 40 30 GKEBRN CCCCCCCCCCCC(=O)OCCOP(=O)(OCC)OCC ZINC000104324433 519984569 /nfs/dbraw/zinc/98/45/69/519984569.db2.gz ZIJALXLWMGRBPP-UHFFFAOYSA-N 0 0 380.462 5.648 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)Oc1cccc2ccccc21 ZINC000059681574 519989863 /nfs/dbraw/zinc/98/98/63/519989863.db2.gz IAKVKXNIMLQHPA-UHFFFAOYSA-N 0 0 382.588 8.227 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1 ZINC000085836416 519990709 /nfs/dbraw/zinc/99/07/09/519990709.db2.gz FIQGQTITXPTKIY-UHFFFAOYSA-N 0 0 375.597 6.793 40 30 biogenic,in-vitro GKEBRN CCCCCCCCCCCCCCCCCCn1c(C=O)nc2ccccc21 ZINC000100757158 519996019 /nfs/dbraw/zinc/99/60/19/519996019.db2.gz SJOMEKKMVVVLDL-UHFFFAOYSA-N 0 0 398.635 8.110 40 30 GKEBRN CCCCCCCCCCCCCCCCCCOC(=O)c1cccnc1 ZINC000100309327 519997656 /nfs/dbraw/zinc/99/76/56/519997656.db2.gz LCMBGJRROPDVAA-UHFFFAOYSA-N 0 0 375.597 7.500 40 30 GKEBRN CCCCCCCCCCCCCCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000100309822 519998702 /nfs/dbraw/zinc/99/87/02/519998702.db2.gz GRJFMCXINURLLD-FGZHOGPDSA-N 0 0 377.613 6.643 40 30 GKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1Cl ZINC000100309893 519999290 /nfs/dbraw/zinc/99/92/90/519999290.db2.gz SFZIOBCLKQZUJR-UHFFFAOYSA-N 0 0 395.031 7.943 40 30 GKEBRN CCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCC ZINC000103661157 520003116 /nfs/dbraw/zinc/00/31/16/520003116.db2.gz SQPREXYCBSQGDO-SANMLTNESA-N 0 0 382.717 9.359 40 30 GKEBRN CCCCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccc(O)cc1 ZINC000104270853 520005238 /nfs/dbraw/zinc/00/52/38/520005238.db2.gz JQUILGRBBMHOSS-JOCHJYFZSA-N 0 0 377.569 5.506 40 30 GKEBRN CCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC000103645800 520008046 /nfs/dbraw/zinc/00/80/46/520008046.db2.gz GPXFKRMUGRAQRX-UHFFFAOYSA-N 0 0 399.497 6.705 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC)cc1 ZINC000100999168 520009020 /nfs/dbraw/zinc/00/90/20/520009020.db2.gz JOMALUXTZZAKJY-UHFFFAOYSA-N 0 0 376.541 5.061 40 30 GKEBRN CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(C)c(C)cc3[nH]c1-2 ZINC000085340879 520018251 /nfs/dbraw/zinc/01/82/51/520018251.db2.gz DPTXEMSHWHEACE-UHFFFAOYSA-N 0 0 394.559 6.884 40 30 biogenic,in-vitro GKEBRN CCCCCCCCCCNS(=O)(=O)NCCCCCCCCCC ZINC000101464271 520019475 /nfs/dbraw/zinc/01/94/75/520019475.db2.gz KZQPPKPVGOCKRA-UHFFFAOYSA-N 0 0 376.651 5.692 40 30 GKEBRN CCCCCCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000100036698 520021927 /nfs/dbraw/zinc/02/19/27/520021927.db2.gz LBLGJCXPJYXOMI-UHFFFAOYSA-N 0 0 381.516 6.236 40 30 GKEBRN CCCCCCCCCCc1nc2c(o1)C[C@@H](C[C@H](C)SCC)CC2=O ZINC000103007856 520027522 /nfs/dbraw/zinc/02/75/22/520027522.db2.gz XPMUBDVPBVNGDZ-ROUUACIJSA-N 0 0 379.610 6.635 40 30 GKEBRN CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC ZINC000085866178 520027783 /nfs/dbraw/zinc/02/77/83/520027783.db2.gz WIYAGHSNPUBKDT-UHFFFAOYSA-N 0 0 398.628 7.134 40 30 GKEBRN CCCCCCCCNC(=O)c1ccc(/N=C/c2ccc(OC)c(OC)c2)cc1 ZINC000100052436 520034970 /nfs/dbraw/zinc/03/49/70/520034970.db2.gz DPXZAENRPQDXNY-NLRVBDNBSA-N 0 0 396.531 5.545 40 30 GKEBRN CCCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000059608678 520042291 /nfs/dbraw/zinc/04/22/91/520042291.db2.gz XSPQXUGMENCLBV-WOJGMQOQSA-N 0 0 394.511 6.247 40 30 GKEBRN CCCCCCCCOc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000100284883 520044090 /nfs/dbraw/zinc/04/40/90/520044090.db2.gz AVEOPKDBINYYJQ-UHFFFAOYSA-N 0 0 397.559 6.369 40 30 GKEBRN CCCCCCCCc1cnc(-c2ccc(OC(=O)CCCCCC)cc2)nc1 ZINC000100073858 520049031 /nfs/dbraw/zinc/04/90/31/520049031.db2.gz PYMMEHPLFYFSIW-UHFFFAOYSA-N 0 0 396.575 6.922 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 ZINC000101412160 520062665 /nfs/dbraw/zinc/06/26/65/520062665.db2.gz TUTSGPHHAARZLU-XLNRJJMWSA-N 0 0 377.484 5.689 40 30 GKEBRN CCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213475 520066977 /nfs/dbraw/zinc/06/69/77/520066977.db2.gz HNAXJCKXMHRJEX-JCMHNJIXSA-N 0 0 384.570 6.815 40 30 GKEBRN CCCCCCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 ZINC000100542685 520070555 /nfs/dbraw/zinc/07/05/55/520070555.db2.gz FIXKKKUMPBXCBZ-UHFFFAOYSA-N 0 0 382.327 5.066 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(C)c3)c(C)c2s1 ZINC000072228580 520183509 /nfs/dbraw/zinc/18/35/09/520183509.db2.gz JCMCHQOFCXOGFG-OYKKKHCWSA-N 0 0 380.517 5.672 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(C)cc3)c(C)c2s1 ZINC000072228581 520183832 /nfs/dbraw/zinc/18/38/32/520183832.db2.gz WTKWKZVWJLXEAZ-OYKKKHCWSA-N 0 0 380.517 5.672 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(C)c(C)c3)c(C)c2s1 ZINC000072228650 520184540 /nfs/dbraw/zinc/18/45/40/520184540.db2.gz JFHGTABMTVFULE-MYYYXRDXSA-N 0 0 394.544 5.980 40 30 GKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3cccnc3)cc2)cc1 ZINC000005792506 520253168 /nfs/dbraw/zinc/25/31/68/520253168.db2.gz WQZKHAVBQUPDMU-NLRVBDNBSA-N 0 0 388.467 5.620 40 30 GKEBRN CCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCC)cc2)=N/O)cc1 ZINC000100514290 520318571 /nfs/dbraw/zinc/31/85/71/520318571.db2.gz ZHCGXFOZYZYWBD-XNMKTSCDSA-N 0 0 398.503 5.491 40 30 GKEBRN CC1(C)Cc2nc3c(c(-c4ccccc4)c2/C(=N/O)C1)/C(=N/O)CC(C)(C)C3 ZINC000018142418 520586789 /nfs/dbraw/zinc/58/67/89/520586789.db2.gz HLGBYHSWFDSHHO-RPCRKUJJSA-N 0 0 377.488 5.050 40 30 GKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OC(C)C ZINC000009197305 520639698 /nfs/dbraw/zinc/63/96/98/520639698.db2.gz VNXMXEKDCSKHDJ-SSDVNMTOSA-N 0 0 381.303 5.303 40 30 GKEBRN Fc1cccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)c1 ZINC000408931162 534519614 /nfs/dbraw/zinc/51/96/14/534519614.db2.gz HWQQSFIRFBQEPJ-ZMFRSBBQSA-N 0 0 388.364 5.870 40 30 GKEBRN CCOc1ccc(/C=N\c2ccc(/C=C(\C)C(=O)OCCC(C)C)cc2)cc1 ZINC000104066809 520857170 /nfs/dbraw/zinc/85/71/70/520857170.db2.gz XUALOKRPDKNKGC-IYWLXYRKSA-N 0 0 379.500 5.829 40 30 GKEBRN CCOc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000101764787 520858455 /nfs/dbraw/zinc/85/84/55/520858455.db2.gz NYNRNYMZNADYAA-RPKJYVOXSA-N 0 0 392.499 5.237 40 30 GKEBRN Cc1oc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)c(C#N)c1C ZINC000408919083 534535655 /nfs/dbraw/zinc/53/56/55/534535655.db2.gz SMWJBCUYUKBHBS-JFLMPSFJSA-N 0 0 380.447 6.251 40 30 GKEBRN Cc1oc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C#N)c1C ZINC000409147483 534536518 /nfs/dbraw/zinc/53/65/18/534536518.db2.gz YIMICDBOOJSAKP-OPEKNORGSA-N 0 0 399.277 6.405 40 30 GKEBRN Ic1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 ZINC000408994093 534539799 /nfs/dbraw/zinc/53/97/99/534539799.db2.gz FQNAALUOAXONMS-CPNJWEJPSA-N 0 0 388.208 5.056 40 30 GKEBRN CCOc1ccc2c(c1)C(=O)/C(=C\NCc1ccc(Cl)c(Cl)c1)S2 ZINC000101537562 521285513 /nfs/dbraw/zinc/28/55/13/521285513.db2.gz SAJLIVKYDCPKLA-LICLKQGHSA-N 0 0 380.296 5.312 40 30 GKEBRN Cc1cccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C ZINC000409201639 534568224 /nfs/dbraw/zinc/56/82/24/534568224.db2.gz NFRPHWSYDWBQSY-DYEBMTOPSA-N 0 0 381.545 5.183 40 30 GKEBRN Cc1cccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)c1C ZINC000409216431 534579084 /nfs/dbraw/zinc/57/90/84/534579084.db2.gz LCIWWKFLPXOOLG-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C ZINC000409211913 534579705 /nfs/dbraw/zinc/57/97/05/534579705.db2.gz PCXJHPIZLTYJFB-LPYMAVHISA-N 0 0 391.383 5.663 40 30 GKEBRN Cc1cccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000409219028 534580374 /nfs/dbraw/zinc/58/03/74/534580374.db2.gz ZUJIZRCMEFIUSJ-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1sc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C ZINC000017081193 534609197 /nfs/dbraw/zinc/60/91/97/534609197.db2.gz CDXHWEOMJGPNOQ-VQHVLOKHSA-N 0 0 396.899 6.110 40 30 GKEBRN CN(C)c1ccc(N=C2N=C(Nc3ccccc3)C(=Nc3ccccc3)S2)cc1 ZINC000103711377 522137844 /nfs/dbraw/zinc/13/78/44/522137844.db2.gz ZVDZXGJOEJSOLX-YYDJUVGSSA-N 0 0 399.523 5.537 40 30 GKEBRN CN(C)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 ZINC000001437726 522138509 /nfs/dbraw/zinc/13/85/09/522138509.db2.gz MJYCMEPNVSXOMW-BUVRLJJBSA-N 0 0 378.859 5.376 40 30 GKEBRN COc1cc(C)c(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1C(C)C ZINC000016267877 522182925 /nfs/dbraw/zinc/18/29/25/522182925.db2.gz HNAJYLVDSSKSDM-ODLFYWEKSA-N 0 0 384.476 5.158 40 30 GKEBRN Cc1cccc(C(=O)Oc2ccc(C=NNc3nc4ccccc4s3)cc2)c1 ZINC000408737491 534629059 /nfs/dbraw/zinc/62/90/59/534629059.db2.gz SHWJDLSSWCIWKY-OEAKJJBVSA-N 0 0 387.464 5.270 40 30 GKEBRN Clc1ccc(-c2sc(N=NC3CCCCC3)nc2-c2ccccc2)cc1 ZINC000059475118 534634821 /nfs/dbraw/zinc/63/48/21/534634821.db2.gz GJTBANGMJTTXGR-UHFFFAOYSA-N 0 0 381.932 6.863 40 30 GKEBRN Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)c(Cl)c1 ZINC000059461326 534636185 /nfs/dbraw/zinc/63/61/85/534636185.db2.gz BYHMDPNBWWCVOH-LSKIEAMNSA-N 0 0 391.279 6.184 40 30 GKEBRN Clc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408973476 534637359 /nfs/dbraw/zinc/63/73/59/534637359.db2.gz BCNZGAQGEOFVJB-FOKLQQMPSA-N 0 0 389.798 6.147 40 30 GKEBRN Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c(Cl)c1 ZINC000409215061 534639795 /nfs/dbraw/zinc/63/97/95/534639795.db2.gz ZKMVWZOIUZSZBH-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN O=C(NCc1ccccc1)c1c(/N=C/c2ccsc2)sc2c1CCCC2 ZINC000109397754 534678315 /nfs/dbraw/zinc/67/83/15/534678315.db2.gz NNIKIESXTXOOJP-YDZHTSKRSA-N 0 0 380.538 5.369 40 30 GKEBRN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101764653 523056881 /nfs/dbraw/zinc/05/68/81/523056881.db2.gz FMWHASSLWZGTDN-MEFNAMQOSA-N 0 0 376.500 5.572 40 30 GKEBRN N#CCOc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736034 534697125 /nfs/dbraw/zinc/69/71/25/534697125.db2.gz BERCQUHSASRQDE-UMFSSWHCSA-N 0 0 394.474 6.208 40 30 GKEBRN CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000036614387 523307627 /nfs/dbraw/zinc/30/76/27/523307627.db2.gz XKRIBCLXBKPPCM-ZBMYYVAISA-N 0 0 390.527 5.030 40 30 GKEBRN CC[C@H]1CS/C(=N/c2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl ZINC000102898813 523354637 /nfs/dbraw/zinc/35/46/37/523354637.db2.gz HYPVLDZTANVWNU-QKDOTCOFSA-N 0 0 395.355 6.017 40 30 GKEBRN COc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OC)cc2)=N\O)cc1 ZINC000100709069 523368526 /nfs/dbraw/zinc/36/85/26/523368526.db2.gz CNGMHIHKRSWRMO-HKOLQMFGSA-N 0 0 398.503 5.491 40 30 GKEBRN COc1ccc(/C=C2\CC(C(C)(C)C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000013372410 523415986 /nfs/dbraw/zinc/41/59/86/523415986.db2.gz GTIPXSAFWBZYKD-TVGQLCNQSA-N 0 0 390.523 6.196 40 30 GKEBRN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000118916192 523418154 /nfs/dbraw/zinc/41/81/54/523418154.db2.gz LJUDTXPEYPVAHO-IAFCJSLHSA-N 0 0 392.583 6.690 40 30 GKEBRN COc1ccc(/C=C\C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000013406616 523431744 /nfs/dbraw/zinc/43/17/44/523431744.db2.gz FXZNENPOJIKRBN-HMQSQOOHSA-N 0 0 384.431 5.210 40 30 GKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 ZINC000012851035 523445734 /nfs/dbraw/zinc/44/57/34/523445734.db2.gz BRGRSZBUTNUMAK-WGOQTCKBSA-N 0 0 398.441 5.404 40 30 GKEBRN CCc1ccc(/N=C2/S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C)cc1 ZINC000100297722 523875377 /nfs/dbraw/zinc/87/53/77/523875377.db2.gz JBSVFIXRPCUCBB-XATRHVNRSA-N 0 0 380.513 5.270 40 30 GKEBRN CCc1ccc(/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 ZINC000018037119 523875636 /nfs/dbraw/zinc/87/56/36/523875636.db2.gz NPPYCQILHMEJSD-PCLIKHOPSA-N 0 0 389.451 5.236 40 30 GKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc4c(c3)COC4=O)o1)CCCC2 ZINC000003671737 534766755 /nfs/dbraw/zinc/76/67/55/534766755.db2.gz BFGOAELTEZZKOC-BHGWPJFGSA-N 0 0 388.448 5.180 40 30 GKEBRN Cc1cc(C)c(C(=O)/C=C\c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1 ZINC000004975036 524217685 /nfs/dbraw/zinc/21/76/85/524217685.db2.gz BQIHMHIITNOAKH-QUDUTFMFSA-N 0 0 380.487 6.404 40 30 GKEBRN Cc1cc(C)c(C(=O)/C=C\c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1 ZINC000017380156 524218112 /nfs/dbraw/zinc/21/81/12/524218112.db2.gz BQIHMHIITNOAKH-RYOQUFEFSA-N 0 0 380.487 6.404 40 30 GKEBRN COc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(C2CCCC2)C1=O ZINC000100288580 524321765 /nfs/dbraw/zinc/32/17/65/524321765.db2.gz KIDVENPRLZSWAT-PKEPYMRNSA-N 0 0 378.497 5.242 40 30 GKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408815908 534782935 /nfs/dbraw/zinc/78/29/35/534782935.db2.gz SXSJXJBXFZYDFG-AQTBWJFISA-N 0 0 379.872 5.022 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Cl)c1 ZINC000408749346 534783078 /nfs/dbraw/zinc/78/30/78/534783078.db2.gz NNKRTKFDCIQOFC-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000408748385 534783319 /nfs/dbraw/zinc/78/33/19/534783319.db2.gz CVTWASDDRJHSQD-MKMNVTDBSA-N 0 0 383.687 5.538 40 30 GKEBRN Cc1ccc(CN2CCN(/N=C/c3cccc(Oc4ccccc4)c3)CC2)c(C)c1 ZINC000019800702 524454590 /nfs/dbraw/zinc/45/45/90/524454590.db2.gz NQZXIRJMWCQASE-ZXVVBBHZSA-N 0 0 399.538 5.247 40 30 GKEBRN Cc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 ZINC000009196177 524630242 /nfs/dbraw/zinc/63/02/42/524630242.db2.gz CBUXVBHZGRIBBQ-DHRITJCHSA-N 0 0 399.321 6.005 40 30 GKEBRN Cc1ccc(Cl)cc1NN=C1c2cc(C(C)C)ccc2N(C2CSC2)C1=O ZINC000223728584 524728297 /nfs/dbraw/zinc/72/82/97/524728297.db2.gz WQPAWRJRCCWVMX-GFMRDNFCSA-N 0 0 399.947 5.050 40 30 GKEBRN Cc1cc(C[C@@](C)(C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 ZINC000034866043 524828328 /nfs/dbraw/zinc/82/83/28/524828328.db2.gz DSWIROKRYFYWHD-SANMLTNESA-N 0 0 383.539 5.930 40 30 in-vitro GKEBRN N#Cc1ccccc1COc1ccccc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408565466 534814712 /nfs/dbraw/zinc/81/47/12/534814712.db2.gz CAAOSPKBOVNEBX-JOCHJYFZSA-N 0 0 397.434 5.027 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ZINC000118915116 525353643 /nfs/dbraw/zinc/35/36/43/525353643.db2.gz LZYLYVQWNIUJNH-AKAKXLQSSA-N 0 0 392.583 5.173 40 30 GKEBRN O=C1c2ccccc2S/C1=C\c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000409310650 534853566 /nfs/dbraw/zinc/85/35/66/534853566.db2.gz BXTSOXIZYPQMJZ-MTJSOVHGSA-N 0 0 396.870 6.388 40 30 GKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000036614421 525533011 /nfs/dbraw/zinc/53/30/11/525533011.db2.gz XDSUORUHJZFDRR-IPZCSDAYSA-N 0 0 390.498 5.953 40 30 GKEBRN Cc1ccc(-c2csc(C(C#N)=NNc3cc(Cl)ccc3Cl)n2)cc1 ZINC000013408213 525778523 /nfs/dbraw/zinc/77/85/23/525778523.db2.gz KJCCTYNVVLBGES-JLPGSUDCSA-N 0 0 387.295 5.765 40 30 GKEBRN CSc1ccc(/C=N/c2cccc(/N=C/c3ccc(SC)cc3)c2)cc1 ZINC000102934587 525950669 /nfs/dbraw/zinc/95/06/69/525950669.db2.gz YLDWSFUKBDRHQP-DFEHQXHXSA-N 0 0 376.550 6.632 40 30 GKEBRN Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)o1 ZINC000118916233 525960241 /nfs/dbraw/zinc/96/02/41/525960241.db2.gz 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ZINC000409117699 527245121 /nfs/dbraw/zinc/24/51/21/527245121.db2.gz QASDIEMLXLMKLJ-UHFFFAOYSA-N 0 0 391.486 6.062 40 30 GKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1O ZINC000409110214 527245813 /nfs/dbraw/zinc/24/58/13/527245813.db2.gz UJJLGBGQDRFSLQ-UHFFFAOYSA-N 0 0 375.468 5.924 40 30 GKEBRN C=CCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c21 ZINC000409040061 527292331 /nfs/dbraw/zinc/29/23/31/527292331.db2.gz HGRBOJGBOWHXIY-OVVQPSECSA-N 0 0 381.523 6.128 40 30 GKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1C ZINC000408561733 527318852 /nfs/dbraw/zinc/31/88/52/527318852.db2.gz KQIMQKRRNSUUAH-UHFFFAOYSA-N 0 0 386.565 5.016 40 30 GKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccccc1Cl ZINC000409339211 527325406 /nfs/dbraw/zinc/32/54/06/527325406.db2.gz STZHCRKLJSNTIZ-UHFFFAOYSA-N 0 0 399.947 5.606 40 30 GKEBRN O=[N+]([O-])c1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000005773731 527345308 /nfs/dbraw/zinc/34/53/08/527345308.db2.gz ZYRNEWMIHJXGOZ-PCLIKHOPSA-N 0 0 382.419 6.078 40 30 GKEBRN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000013302153 527345617 /nfs/dbraw/zinc/34/56/17/527345617.db2.gz WKGCFYFCVZCGJF-LFVJCYFKSA-N 0 0 395.422 5.165 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc4ccccc43)cc2)nc1 ZINC000033711901 527360458 /nfs/dbraw/zinc/36/04/58/527360458.db2.gz SFOWSFRAUJGEOT-QFEZKATASA-N 0 0 398.422 5.168 40 30 GKEBRN C=CCn1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409196490 527363426 /nfs/dbraw/zinc/36/34/26/527363426.db2.gz ZNPZUCRNAXGDPZ-XDHOZWIPSA-N 0 0 394.883 5.722 40 30 GKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1C(C)C ZINC000409203151 527386867 /nfs/dbraw/zinc/38/68/67/527386867.db2.gz UUJIZDFGWFCFRS-NFEGURHZSA-N 0 0 394.540 5.355 40 30 GKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccn1-c1ccccc1 ZINC000408853953 527475226 /nfs/dbraw/zinc/47/52/26/527475226.db2.gz UEEPJJCVYYDCGR-TURZUDJPSA-N 0 0 380.535 6.696 40 30 GKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000408924513 527538296 /nfs/dbraw/zinc/53/82/96/527538296.db2.gz OXMAHHZVPFIEPE-WSDLNYQXSA-N 0 0 376.312 6.261 40 30 GKEBRN Cc1sc(N=NC(C)c2cccc(C3CCCCC3)c2)nc1-c1ccccc1 ZINC000408963407 527538957 /nfs/dbraw/zinc/53/89/57/527538957.db2.gz BMHPFASHYDTLEZ-YZSQISJMSA-N 0 0 389.568 7.002 40 30 GKEBRN O=C(/C(Br)=C\c1ccccc1)/C(Br)=C\c1ccccc1 ZINC000017429823 527593048 /nfs/dbraw/zinc/59/30/48/527593048.db2.gz SJEVIRRLNSMNAS-JOBJLJCHSA-N 0 0 392.090 5.428 40 30 GKEBRN O=C(C=C(O)C=C1SC=C(c2ccccc2)S1)c1ccc([N+](=O)[O-])cc1 ZINC000101002687 527653315 /nfs/dbraw/zinc/65/33/15/527653315.db2.gz MIZRBTPZOZOIMW-ALAONZSNSA-N 0 0 383.450 5.383 40 30 GKEBRN O=C(/N=C1\c2ccccc2CN1c1ccccc1)c1ccc(Cl)cc1Cl ZINC000102946082 527662275 /nfs/dbraw/zinc/66/22/75/527662275.db2.gz BLPBYNQBFXTEOR-HIXSDJFHSA-N 0 0 381.262 5.601 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4CCC[C@]5(C)[C@H]3CC[C@]12C ZINC000123221355 527706378 /nfs/dbraw/zinc/70/63/78/527706378.db2.gz YSHCPAAHOVSKSB-DWLGZPTGSA-N 0 0 386.664 7.629 40 30 GKEBRN CC(C)CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)cc1 ZINC000409090757 527956688 /nfs/dbraw/zinc/95/66/88/527956688.db2.gz QABWBLSGSZBWIC-NIQTYAIASA-N 0 0 376.934 5.662 40 30 GKEBRN CC(C)CN1C(=O)/C(=C/C=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 ZINC000409082240 527956850 /nfs/dbraw/zinc/95/68/50/527956850.db2.gz RRFIHVVDVYDJDO-MGIKLFRISA-N 0 0 386.904 5.749 40 30 GKEBRN CCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O ZINC000409109754 527996391 /nfs/dbraw/zinc/99/63/91/527996391.db2.gz KRJLVWFJDULPLI-HAHDFKILSA-N 0 0 380.447 5.044 40 30 GKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 ZINC000408749951 528056676 /nfs/dbraw/zinc/05/66/76/528056676.db2.gz VGUUYBDFLMPRTL-RQZCQDPDSA-N 0 0 391.323 6.008 40 30 GKEBRN CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408938450 528057640 /nfs/dbraw/zinc/05/76/40/528057640.db2.gz QSXUORRBUWYXHW-OZQWKOQFSA-N 0 0 392.546 7.387 40 30 GKEBRN CCCCCCCCCCCC(=O)c1cc(OCCCCCC)ccc1O ZINC000100922053 528123823 /nfs/dbraw/zinc/12/38/23/528123823.db2.gz UXMXTTKOIHKLIH-UHFFFAOYSA-N 0 0 376.581 7.455 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408672171 528123956 /nfs/dbraw/zinc/12/39/56/528123956.db2.gz MDACKBLMHZTTPA-UHFFFAOYSA-N 0 0 386.580 6.172 40 30 GKEBRN CCCCCCCCCC[C@H](SCCCC)C(=O)c1cc(C)ccc1O ZINC000100931370 528126530 /nfs/dbraw/zinc/12/65/30/528126530.db2.gz OVPFYYUKBGMDTI-QFIPXVFZSA-N 0 0 378.622 7.316 40 30 GKEBRN CCCCCCCCNC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408976741 528129360 /nfs/dbraw/zinc/12/93/60/528129360.db2.gz SXBXTZRRFCVAAS-UHFFFAOYSA-N 0 0 391.540 6.088 40 30 GKEBRN CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409091795 528130687 /nfs/dbraw/zinc/13/06/87/528130687.db2.gz UVKWKVIWDYWQDN-NFXIUMSZSA-N 0 0 380.557 6.309 40 30 GKEBRN CCCCCCCCS(=O)(=O)N/N=C(\CCCC)c1cc(C)cc(C)c1O ZINC000100955155 528132450 /nfs/dbraw/zinc/13/24/50/528132450.db2.gz UXFWVOZAGPSACL-LSDHQDQOSA-N 0 0 396.597 5.183 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc3ccccc32)n1C ZINC000408562939 528138817 /nfs/dbraw/zinc/13/88/17/528138817.db2.gz SKYYZUOWWGCNMT-UHFFFAOYSA-N 0 0 396.560 5.212 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1CC ZINC000408560997 528139408 /nfs/dbraw/zinc/13/94/08/528139408.db2.gz TZOUHQXDLUHQCZ-UHFFFAOYSA-N 0 0 388.581 5.159 40 30 GKEBRN CCCCCCCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000100965352 528139474 /nfs/dbraw/zinc/13/94/74/528139474.db2.gz KHWLABJIODAAHC-UHFFFAOYSA-N 0 0 377.572 6.294 40 30 GKEBRN CC(C)COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)c2ccccc12 ZINC000408980957 528141048 /nfs/dbraw/zinc/14/10/48/528141048.db2.gz UODZXDFGRPMXMY-UHFFFAOYSA-N 0 0 393.490 5.888 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000408937710 528153544 /nfs/dbraw/zinc/15/35/44/528153544.db2.gz JNSKMTDYBKNOTK-XDHOZWIPSA-N 0 0 377.827 5.388 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409083076 528154093 /nfs/dbraw/zinc/15/40/93/528154093.db2.gz RWFUMLGSCOCVFD-NSIKDUERSA-N 0 0 396.657 5.542 40 30 GKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)S/C1=N/c1ccc(Cl)cc1 ZINC000409084782 528161980 /nfs/dbraw/zinc/16/19/80/528161980.db2.gz XPGGLAPVNPAIJI-CFDZAGTRSA-N 0 0 387.936 5.309 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409089330 528162044 /nfs/dbraw/zinc/16/20/44/528162044.db2.gz IPYPELQPZHGLEJ-QUUARBKMSA-N 0 0 399.947 5.420 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408910732 528163470 /nfs/dbraw/zinc/16/34/70/528163470.db2.gz XWOLFDJLVQUJRM-LQRSSTQKSA-N 0 0 391.323 6.007 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccccc1 ZINC000408916367 528163669 /nfs/dbraw/zinc/16/36/69/528163669.db2.gz WSHIAGDVFOUQQO-NVZLDUMVSA-N 0 0 394.540 5.735 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408907711 528163922 /nfs/dbraw/zinc/16/39/22/528163922.db2.gz CEYQDBRJDWYKCY-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000408604638 528180146 /nfs/dbraw/zinc/18/01/46/528180146.db2.gz VUSMDSAJQRJPJH-GFEOOXAPSA-N 0 0 394.584 6.556 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 ZINC000409387773 528195859 /nfs/dbraw/zinc/19/58/59/528195859.db2.gz QKFCBUIYUHFXDF-WQEJZQBCSA-N 0 0 389.879 5.453 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3)c2C)cc1 ZINC000100212149 528196621 /nfs/dbraw/zinc/19/66/21/528196621.db2.gz ANYMMBPXVSYFRM-ZVHZXABRSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)=C2O)cc(Cl)c1O ZINC000408562832 528197039 /nfs/dbraw/zinc/19/70/39/528197039.db2.gz DSXDRQONHGXAHD-SFXQBQATSA-N 0 0 390.785 5.345 40 30 GKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC ZINC000409084813 528201135 /nfs/dbraw/zinc/20/11/35/528201135.db2.gz YAWJWCIIIFEBSO-MMDHUZEPSA-N 0 0 396.556 5.929 40 30 GKEBRN CCOc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OC ZINC000408737105 528201460 /nfs/dbraw/zinc/20/14/60/528201460.db2.gz IYONMYYLECAXIX-NLRVBDNBSA-N 0 0 397.478 5.697 40 30 GKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCC ZINC000408931932 528201484 /nfs/dbraw/zinc/20/14/84/528201484.db2.gz SFXVNZXIQFSMOL-KSEXSDGBSA-N 0 0 386.801 5.602 40 30 GKEBRN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000408628851 528217483 /nfs/dbraw/zinc/21/74/83/528217483.db2.gz DKZYVWDFGPZXHQ-MRXNPFEDSA-N 0 0 396.556 5.810 40 30 GKEBRN CCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000011992241 528238325 /nfs/dbraw/zinc/23/83/25/528238325.db2.gz DKDJFGLQMGDASW-OEAKJJBVSA-N 0 0 399.947 6.479 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)c1 ZINC000408968594 528246452 /nfs/dbraw/zinc/24/64/52/528246452.db2.gz XSFGYZUKEIWZIE-XYGWBWBKSA-N 0 0 390.483 5.420 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(OCC)c3)c2C)c1 ZINC000408965013 528246863 /nfs/dbraw/zinc/24/68/63/528246863.db2.gz FIXNRCQNTQURSB-XYGWBWBKSA-N 0 0 390.483 5.420 40 30 GKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000408741689 528246942 /nfs/dbraw/zinc/24/69/42/528246942.db2.gz RONJYVUIOATUPV-PCLIKHOPSA-N 0 0 389.499 5.087 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)c1 ZINC000408692258 528247125 /nfs/dbraw/zinc/24/71/25/528247125.db2.gz IPWRZKHRPVTSKL-BUHFOSPRSA-N 0 0 387.479 5.475 40 30 GKEBRN CC(C)Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409278487 528247340 /nfs/dbraw/zinc/24/73/40/528247340.db2.gz FETBFENFYHTWGX-UHFFFAOYSA-N 0 0 389.499 5.114 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718495 528292994 /nfs/dbraw/zinc/29/29/94/528292994.db2.gz ROMKVOMJPVERTR-NLRVBDNBSA-N 0 0 396.494 6.000 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409092532 528293111 /nfs/dbraw/zinc/29/31/11/528293111.db2.gz WVLFZJOYNBBHSJ-PMFZIYJTSA-N 0 0 393.600 6.368 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409107754 528293398 /nfs/dbraw/zinc/29/33/98/528293398.db2.gz SXSGBXRJXCWOJK-KOEQRZSOSA-N 0 0 394.971 7.088 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000409189638 528359014 /nfs/dbraw/zinc/35/90/14/528359014.db2.gz MBNJYOOXIKUFNT-UCQKPKSFSA-N 0 0 393.443 5.160 40 30 GKEBRN CCOc1ccc(/C=N/c2ccccc2C(C)C)cc1I ZINC000408904462 528374209 /nfs/dbraw/zinc/37/42/09/528374209.db2.gz JVMNFQAEHWJWND-UDWIEESQSA-N 0 0 393.268 5.564 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1O ZINC000408718318 528374457 /nfs/dbraw/zinc/37/44/57/528374457.db2.gz RRSRMZTYPFNJPT-BUVRLJJBSA-N 0 0 385.423 5.259 40 30 GKEBRN CCOc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409217593 528374949 /nfs/dbraw/zinc/37/49/49/528374949.db2.gz QKPZDGLTTGCNKP-IMRQLAEWSA-N 0 0 381.475 6.568 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408915579 528449446 /nfs/dbraw/zinc/44/94/46/528449446.db2.gz QCZQZBDPYWQFIJ-RERTVAKNSA-N 0 0 394.540 5.798 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N\c1cccc(I)c1 ZINC000409086172 528470641 /nfs/dbraw/zinc/47/06/41/528470641.db2.gz GDECFWPBXMQZIV-ZDLGFXPLSA-N 0 0 385.632 5.094 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000408815173 528471552 /nfs/dbraw/zinc/47/15/52/528471552.db2.gz IQGYMJSBAOEYGH-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)cc3)S2)cc1 ZINC000408951173 528484830 /nfs/dbraw/zinc/48/48/30/528484830.db2.gz HZCCQQGODYEQMH-AUQXIXNCSA-N 0 0 396.512 5.154 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)cc3)S2)cc1 ZINC000408951175 528485268 /nfs/dbraw/zinc/48/52/68/528485268.db2.gz HZCCQQGODYEQMH-NPQOUYBPSA-N 0 0 396.512 5.154 40 30 GKEBRN CC(C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000408962757 528544572 /nfs/dbraw/zinc/54/45/72/528544572.db2.gz UNBGKFGECHHHTA-YBFXNURJSA-N 0 0 379.460 5.253 40 30 GKEBRN CC(C)n1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c2ccccc21 ZINC000409157663 528544891 /nfs/dbraw/zinc/54/48/91/528544891.db2.gz VNGCYRGFDUNHIA-SAPPFYIZSA-N 0 0 375.497 5.456 40 30 GKEBRN CC(C)n1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c2ccccc21 ZINC000408899086 528560461 /nfs/dbraw/zinc/56/04/61/528560461.db2.gz SQWXJPADPNHHIK-UHFFFAOYSA-N 0 0 375.468 5.350 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000408563383 528594992 /nfs/dbraw/zinc/59/49/92/528594992.db2.gz LKHCUTGLYDCDJP-ZELAZJAISA-N 0 0 393.527 6.589 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000408563329 528595429 /nfs/dbraw/zinc/59/54/29/528595429.db2.gz LEUCXNHOWPVACA-ZELAZJAISA-N 0 0 393.527 6.589 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Br)c(Cl)c2)C1 ZINC000408562992 528595732 /nfs/dbraw/zinc/59/57/32/528595732.db2.gz HMABLDDTKXANLB-XZHRJIJLSA-N 0 0 384.745 6.204 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000408563550 528598940 /nfs/dbraw/zinc/59/89/40/528598940.db2.gz NFDQEJNOGMQBDH-QZZNQRLBSA-N 0 0 393.527 6.589 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)c1 ZINC000408912846 528627160 /nfs/dbraw/zinc/62/71/60/528627160.db2.gz LYVLQKDNTIXXTC-OCIPIQTLSA-N 0 0 380.513 5.272 40 30 GKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409082553 528644440 /nfs/dbraw/zinc/64/44/40/528644440.db2.gz SUEKNHAMOACPBK-WZJLVRHISA-N 0 0 380.557 6.310 40 30 GKEBRN CCCCOc1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 ZINC000059459295 528658121 /nfs/dbraw/zinc/65/81/21/528658121.db2.gz HFHLXWWUZWJILY-BUVRLJJBSA-N 0 0 392.524 5.847 40 30 GKEBRN CCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000408737450 528700374 /nfs/dbraw/zinc/70/03/74/528700374.db2.gz RBOPXJHSBTVKRM-NHFJDJAPSA-N 0 0 395.506 6.469 40 30 GKEBRN CCCCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408886059 528700933 /nfs/dbraw/zinc/70/09/33/528700933.db2.gz HPIWJGLNKCDRQN-AQTBWJFISA-N 0 0 386.904 5.411 40 30 GKEBRN CCCOc1ccc2ccccc2c1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408981304 528730950 /nfs/dbraw/zinc/73/09/50/528730950.db2.gz VQJKMQYAPSAQHQ-UHFFFAOYSA-N 0 0 393.490 5.950 40 30 GKEBRN CC/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1CC ZINC000109596602 528829468 /nfs/dbraw/zinc/82/94/68/528829468.db2.gz PFADUZPOVZPLJH-XSGZQOPMSA-N 0 0 395.311 5.566 40 30 GKEBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccccc1 ZINC000409013680 528943012 /nfs/dbraw/zinc/94/30/12/528943012.db2.gz NGPIZHDUYBVMDB-NPPZMEKISA-N 0 0 396.512 5.106 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccsc2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928559 528943331 /nfs/dbraw/zinc/94/33/31/528943331.db2.gz CHJHLULUTJETMZ-GKVQKNEHSA-N 0 0 397.569 5.362 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000408960356 528943738 /nfs/dbraw/zinc/94/37/38/528943738.db2.gz LDLXMLXXZLESGN-NXZXOXKRSA-N 0 0 391.540 5.219 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(C)cc(C)cc2C)S/C1=N/c1ccc(OC)cc1 ZINC000409234389 528944289 /nfs/dbraw/zinc/94/42/89/528944289.db2.gz WFFKIVGSHSFMGF-SAPPFYIZSA-N 0 0 380.513 5.244 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408911401 528944381 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GKEBRN CCCCc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 ZINC000408592396 529017067 /nfs/dbraw/zinc/01/70/67/529017067.db2.gz MICGNBACVSHAER-WPWMEQJKSA-N 0 0 385.511 5.859 40 30 GKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408967994 529018217 /nfs/dbraw/zinc/01/82/17/529018217.db2.gz TXXJZAFCGHGFPF-TURZUDJPSA-N 0 0 386.583 7.485 40 30 GKEBRN CCCCc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409234153 529018627 /nfs/dbraw/zinc/01/86/27/529018627.db2.gz MNNBNOCJEBEAFE-BUVRLJJBSA-N 0 0 396.328 7.111 40 30 GKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408779658 529018748 /nfs/dbraw/zinc/01/87/48/529018748.db2.gz GZPGEYQOKBGWAG-LFVJCYFKSA-N 0 0 375.472 6.096 40 30 GKEBRN CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408800019 529133344 /nfs/dbraw/zinc/13/33/44/529133344.db2.gz MVPDXSYGDZJJMF-XYGWBWBKSA-N 0 0 388.467 5.133 40 30 GKEBRN CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408806166 529133403 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CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408909151 529349764 /nfs/dbraw/zinc/34/97/64/529349764.db2.gz GEMFRVWWELOVKS-SGOKGXKRSA-N 0 0 380.513 5.406 40 30 GKEBRN C=C1CC[C@@H](O)C(C)(C)[C@H]1CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000029134694 560091374 /nfs/dbraw/zinc/09/13/74/560091374.db2.gz XXKXCRGLMFAXTK-ZTKAZNOESA-N 0 0 382.500 5.252 40 30 biogenic,in-vitro GKEBRN Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2c2ccccc2)cc1 ZINC000003954358 560191810 /nfs/dbraw/zinc/19/18/10/560191810.db2.gz MONPOCASPAGPNP-NNWRFLSQSA-N 0 0 386.557 5.699 40 30 in-vitro GKEBRN C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000005358679 560201386 /nfs/dbraw/zinc/20/13/86/560201386.db2.gz INDVLXYUCBVVKW-PXBBAZSNSA-N 0 0 398.675 7.555 40 30 in-vitro GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@H]2[C@@H](C)CCCC(C)C ZINC000005380449 560201548 /nfs/dbraw/zinc/20/15/48/560201548.db2.gz QYSXJUFSXHHAJI-RMWJWDNVSA-N 0 0 384.648 7.619 40 30 in-vitro GKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 ZINC000016711491 570249740 /nfs/dbraw/zinc/24/97/40/570249740.db2.gz IERMJVLUJRXSGQ-ATJXCDBQSA-N 0 0 383.904 5.247 40 30 GKEBRN CC/N=C1\S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C(=O)N1CC ZINC000208316950 570255735 /nfs/dbraw/zinc/25/57/35/570255735.db2.gz BEIPOEGPTCWXCX-YLSUVZQESA-N 0 0 399.604 5.419 40 30 GKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=S)Nc3ccccc3)cc21 ZINC000208473501 570262123 /nfs/dbraw/zinc/26/21/23/570262123.db2.gz CWSAXLUJPOQHQS-QRVIBDJDSA-N 0 0 398.963 5.292 40 30 GKEBRN CCCCCCCCCCSc1nc2c([nH]1)n(C)c(=S)n(C)c2=S ZINC000001638332 570266407 /nfs/dbraw/zinc/26/64/07/570266407.db2.gz JYRRATAJZFBYQR-UHFFFAOYSA-N 0 0 384.640 5.932 40 30 GKEBRN C(=N/N=C1c2ccccc2-c2ccccc21)\c1ccc(OCc2ccccc2)cc1 ZINC000001710198 570267378 /nfs/dbraw/zinc/26/73/78/570267378.db2.gz NDICXTBNSYXAOF-MTDXEUNCSA-N 0 0 388.470 6.118 40 30 GKEBRN O=C1C=C(c2ccccc2)C(=O)[C@@]2(c3ccccc3)C=CC[C@H](c3ccccc3)[C@@H]12 ZINC000001731621 570267642 /nfs/dbraw/zinc/26/76/42/570267642.db2.gz BMIREVXEZWIFLP-RXWNPYQGSA-N 0 0 390.482 5.520 40 30 GKEBRN C[C@@]12OC(c3ccccc3)=CC(c3ccccc3)=C1C(c1ccccc1)=CC2=O ZINC000002146331 570276087 /nfs/dbraw/zinc/27/60/87/570276087.db2.gz HGPNGXFIZUYUNC-MHZLTWQESA-N 0 0 376.455 5.937 40 30 GKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\C=C\c1ccccc1 ZINC000020572595 570280319 /nfs/dbraw/zinc/28/03/19/570280319.db2.gz CNATZRJRPIOVRF-JIQHNTDUSA-N 0 0 398.550 6.389 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000020761322 570281684 /nfs/dbraw/zinc/28/16/84/570281684.db2.gz VTXMPZYSWWAWEM-ZVHZXABRSA-N 0 0 380.875 5.051 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000020762771 570282591 /nfs/dbraw/zinc/28/25/91/570282591.db2.gz YXJQVCLQBCZQJU-VULFUBBASA-N 0 0 398.865 5.190 40 30 GKEBRN Fc1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N/c2ccccc2)cc1 ZINC000102817878 570292534 /nfs/dbraw/zinc/29/25/34/570292534.db2.gz BHEHJBMUWWKGNG-SRPFLQSCSA-N 0 0 391.496 6.124 40 30 GKEBRN CCCCCCCCCCCC[NH2+][C@@H](C)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000104083507 570297419 /nfs/dbraw/zinc/29/74/19/570297419.db2.gz UGZSECUAULSVSQ-SFHVURJKSA-N 0 0 385.548 5.777 40 30 GKEBRN CCCCCCCCCCCCCCCCSc1ccc2ccccc2c1 ZINC000104134594 570298311 /nfs/dbraw/zinc/29/83/11/570298311.db2.gz FACIKISMAPZTOA-UHFFFAOYSA-N 0 0 384.673 9.413 40 30 GKEBRN CCCCCCCCCCCCOc1ccc(/C=N\c2ccc(C)cc2)cc1 ZINC000104149530 570298368 /nfs/dbraw/zinc/29/83/68/570298368.db2.gz ICXAHLHYIPLYOQ-QYQHSDTDSA-N 0 0 379.588 8.045 40 30 GKEBRN CCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCC ZINC000104173045 570298464 /nfs/dbraw/zinc/29/84/64/570298464.db2.gz BVVRPLNLVUMGSL-FMQUCBEESA-N 0 0 396.612 6.910 40 30 GKEBRN CCCCCCCCCCCCSC1=C(OC)C(=O)C(OC)=C(OC)C1=O ZINC000104188923 570298765 /nfs/dbraw/zinc/29/87/65/570298765.db2.gz VWNHUJTVCVSWRS-UHFFFAOYSA-N 0 0 398.565 5.155 40 30 GKEBRN CCCCCCCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104183175 570298873 /nfs/dbraw/zinc/29/88/73/570298873.db2.gz ZPNJCPMKFBBQHB-CAPFRKAQSA-N 0 0 378.473 6.212 40 30 GKEBRN O=C(/N=C(/N=C(/c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 ZINC000104210667 570299415 /nfs/dbraw/zinc/29/94/15/570299415.db2.gz SYIHPIKZKVSORJ-PLQUULKHSA-N 0 0 395.506 5.206 40 30 GKEBRN O=[N+]([O-])c1ccc(/N=C(/Cl)C(Cl)(c2ccccc2)c2ccccc2)cc1 ZINC000104251433 570300090 /nfs/dbraw/zinc/30/00/90/570300090.db2.gz MHEVPAXFIPWKCZ-FCDQGJHFSA-N 0 0 385.250 6.046 40 30 GKEBRN O=c1sc(-c2nc3ccccc3[nH]2)c(/N=C\c2ccccc2)n1-c1ccccc1 ZINC000104284207 570300799 /nfs/dbraw/zinc/30/07/99/570300799.db2.gz BEMABGSRTGXYOF-IWIPYMOSSA-N 0 0 396.475 5.193 40 30 GKEBRN O=C(C=Cc1ccccc1)C(C(=O)c1ccccc1)=C([O-])C=Cc1ccccc1 ZINC000104345369 570301599 /nfs/dbraw/zinc/30/15/99/570301599.db2.gz ZMDNJCKNYGMXBO-YWNVXTCZSA-N 0 0 380.443 5.051 40 30 GKEBRN CCCCCCCCCCCCCCCCCc1nccn1CCOCCO ZINC000104333910 570301614 /nfs/dbraw/zinc/30/16/14/570301614.db2.gz ZCMBVRYSEVZTPH-UHFFFAOYSA-N 0 0 394.644 6.306 40 30 GKEBRN CCCCCCCCCCNP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000104362065 570301910 /nfs/dbraw/zinc/30/19/10/570301910.db2.gz NYOQCHVVZYGZLF-UHFFFAOYSA-N 0 0 389.476 6.983 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OCC ZINC000104373360 570302205 /nfs/dbraw/zinc/30/22/05/570302205.db2.gz MRNRWCUZSUEKLV-LYBHJNIJSA-N 0 0 391.625 5.804 40 30 GKEBRN FC(F)(F)c1ccc(Cl)c(NN=Cc2ccc(Oc3ccccc3)cc2)c1 ZINC000006475668 570309804 /nfs/dbraw/zinc/30/98/04/570309804.db2.gz OSAUUUYACOQPGQ-DHRITJCHSA-N 0 0 390.792 6.597 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)SC1=S ZINC000208461677 570310389 /nfs/dbraw/zinc/31/03/89/570310389.db2.gz IWDUCOXDLWLBMT-WQRHYEAKSA-N 0 0 384.570 5.014 40 30 GKEBRN Cc1ccc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000122116192 570318477 /nfs/dbraw/zinc/31/84/77/570318477.db2.gz YMSNYXZYNBOINX-WYQYDEJJSA-N 0 0 390.567 5.881 40 30 GKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C ZINC000004849081 570318579 /nfs/dbraw/zinc/31/85/79/570318579.db2.gz GDIWCMFHHHSOBA-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1C ZINC000004849082 570318646 /nfs/dbraw/zinc/31/86/46/570318646.db2.gz KOUZLDKIMCQUMX-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc(C)c1C ZINC000584905955 570319111 /nfs/dbraw/zinc/31/91/11/570319111.db2.gz LHUJBXBANOVYNH-UHFFFAOYSA-N 0 0 399.357 6.014 40 30 GKEBRN Cc1ccsc1/C=C1\C[C@@H](c2ccccc2)C/C(=C/c2sccc2C)C1=O ZINC000585139668 570319826 /nfs/dbraw/zinc/31/98/26/570319826.db2.gz PYDMONRVAWKWEV-OUIRUTAPSA-N 0 0 390.573 7.040 40 30 GKEBRN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc2ccccc21 ZINC000003026228 570326414 /nfs/dbraw/zinc/32/64/14/570326414.db2.gz DUCDQVUXAVPIKH-VULFUBBASA-N 0 0 376.419 5.277 40 30 GKEBRN CCCCCCCCCCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000003188536 570332024 /nfs/dbraw/zinc/33/20/24/570332024.db2.gz AKNYABPTAIYLMI-UHFFFAOYSA-N 0 0 394.353 5.966 40 30 GKEBRN CCOc1ccc(C(=O)CC[C@@H]2CCC(c3ccc(OCC)cc3)=CC2=O)cc1 ZINC000003195461 570332523 /nfs/dbraw/zinc/33/25/23/570332523.db2.gz BGFRADOFOSVVHD-FQEVSTJZSA-N 0 0 392.495 5.510 40 30 GKEBRN COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000005379854 570345129 /nfs/dbraw/zinc/34/51/29/570345129.db2.gz DTWBGBDOFVRPED-DJKKODMXSA-N 0 0 397.110 5.588 40 30 GKEBRN O=C(/C=C/c1cn(Cc2cccc3ccccc32)c2ccccc12)c1ccccc1 ZINC000408625501 570348340 /nfs/dbraw/zinc/34/83/40/570348340.db2.gz YJTRPMCKLMAJQG-ISLYRVAYSA-N 0 0 387.482 6.739 40 30 GKEBRN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nc2c1 ZINC000408626882 570348676 /nfs/dbraw/zinc/34/86/76/570348676.db2.gz JCWHSVBHXLCQAF-UHFFFAOYSA-N 0 0 399.425 5.881 40 30 GKEBRN CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000408629067 570348879 /nfs/dbraw/zinc/34/88/79/570348879.db2.gz KWVWGNSNURBNTK-INIZCTEOSA-N 0 0 396.556 5.812 40 30 GKEBRN N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 ZINC000408629253 570348975 /nfs/dbraw/zinc/34/89/75/570348975.db2.gz SFYIWIAEBDSQCB-PKNBQFBNSA-N 0 0 394.883 5.674 40 30 GKEBRN Cc1sc(NC(=O)c2cccc3c(Br)cccc23)c(C#N)c1C ZINC000408629304 570349186 /nfs/dbraw/zinc/34/91/86/570349186.db2.gz WEZBTCGVWGPQRP-UHFFFAOYSA-N 0 0 385.286 5.405 40 30 GKEBRN Cc1sc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C ZINC000408629362 570349305 /nfs/dbraw/zinc/34/93/05/570349305.db2.gz YYCUHHBCQJEFQB-UHFFFAOYSA-N 0 0 391.279 6.056 40 30 GKEBRN Cc1c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC000006254644 570350075 /nfs/dbraw/zinc/35/00/75/570350075.db2.gz HFDLAIIQAMPHJM-ZDUSSCGKSA-N 0 0 397.500 5.240 40 30 GKEBRN CC(=O)[C@]12CCCC[C@H]1C[C@H]1[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118917727 570351882 /nfs/dbraw/zinc/35/18/82/570351882.db2.gz OAICPORQJIVREU-HUXDBIBJSA-N 0 0 382.588 6.140 40 30 GKEBRN N#CC(=NNc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2s1 ZINC000004292513 570365749 /nfs/dbraw/zinc/36/57/49/570365749.db2.gz ZNLZNYQVJXOGIB-LPYMAVHISA-N 0 0 381.675 5.596 40 30 GKEBRN Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@H](\C1=N/c1c(C)cccc1C)[C@H]23 ZINC000004293455 570366208 /nfs/dbraw/zinc/36/62/08/570366208.db2.gz YPOGTCIJJHJVON-MPUFMAOJSA-N 0 0 390.530 7.004 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000118912968 570366376 /nfs/dbraw/zinc/36/63/76/570366376.db2.gz AARSTNLEOKIRTL-QAKPMDPSSA-N 0 0 382.632 7.373 40 30 GKEBRN C=CCSc1ccccc1C(=O)NCCSCc1ccccc1Cl ZINC000219799334 570373073 /nfs/dbraw/zinc/37/30/73/570373073.db2.gz OLHBMHREWIUALA-UHFFFAOYSA-N 0 0 377.962 5.281 40 30 GKEBRN N#Cc1cc2c(nc1SCc1ccc(Cl)c(Cl)c1)C1CCN2CC1 ZINC000016384757 570376426 /nfs/dbraw/zinc/37/64/26/570376426.db2.gz IXKGHUDEYUCMHM-UHFFFAOYSA-N 0 0 376.312 5.250 40 30 GKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4ccccc43)sc2C1 ZINC000006323276 570380521 /nfs/dbraw/zinc/38/05/21/570380521.db2.gz ILOQEEDJVBOOKB-INIZCTEOSA-N 0 0 391.540 5.364 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000006880610 570384646 /nfs/dbraw/zinc/38/46/46/570384646.db2.gz DXSPDBCDPFQQAV-SRZZPIQSSA-N 0 0 396.712 5.959 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1OCC ZINC000006880627 570385109 /nfs/dbraw/zinc/38/51/09/570385109.db2.gz JEADCCKMTSNFSG-FYJGNVAPSA-N 0 0 392.293 5.396 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccccc2C)cc1OCC ZINC000006880647 570385295 /nfs/dbraw/zinc/38/52/95/570385295.db2.gz NNKGJYSNXIAIFE-FYJGNVAPSA-N 0 0 376.294 5.696 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000224307800 570392628 /nfs/dbraw/zinc/39/26/28/570392628.db2.gz GZEHBCFKZJWEMI-UHFFFAOYSA-N 0 0 387.917 5.389 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cc([N+](=O)[O-])ccc3OC)c2C)cc1 ZINC000408754388 570392679 /nfs/dbraw/zinc/39/26/79/570392679.db2.gz NCKKNCTULAUKSW-UCQKPKSFSA-N 0 0 377.444 5.324 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1cccc(C)c1 ZINC000408755659 570393521 /nfs/dbraw/zinc/39/35/21/570393521.db2.gz RUZPSRHRHAIJKS-QRVIBDJDSA-N 0 0 381.317 6.224 40 30 GKEBRN COc1ccc(/C=C\C(=O)c2cccc(C(=O)/C=C\c3ccc(OC)cc3)c2)cc1 ZINC000004701170 570395070 /nfs/dbraw/zinc/39/50/70/570395070.db2.gz IPABLGMAPCTPSM-APGQMXJTSA-N 0 0 398.458 5.496 40 30 GKEBRN COc1cc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004710554 570396675 /nfs/dbraw/zinc/39/66/75/570396675.db2.gz BATCJNQHQPKXCX-HSZRJFAPSA-N 0 0 399.490 5.755 40 30 GKEBRN CCO[C@@H]1C[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 ZINC000004721159 570397602 /nfs/dbraw/zinc/39/76/02/570397602.db2.gz ARJPPIIZDXIWHR-STKMXDQZSA-N 0 0 384.560 5.801 40 30 GKEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004726674 570398395 /nfs/dbraw/zinc/39/83/95/570398395.db2.gz UJAUIJIBACQMCG-CWFJNAJYSA-N 0 0 398.465 5.238 40 30 GKEBRN CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br ZINC000006957986 570400639 /nfs/dbraw/zinc/40/06/39/570400639.db2.gz PZDRQBAJFXAJDJ-VXLYETTFSA-N 0 0 397.110 5.669 40 30 GKEBRN COc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004748760 570402466 /nfs/dbraw/zinc/40/24/66/570402466.db2.gz KJEMQRSPGMIMMX-JOCHJYFZSA-N 0 0 395.524 5.606 40 30 GKEBRN C#CCOc1c(Br)cc(CNc2ccccc2Cl)cc1OCC ZINC000006959252 570403255 /nfs/dbraw/zinc/40/32/55/570403255.db2.gz LDMQQFKUBVIFNF-UHFFFAOYSA-N 0 0 394.696 5.125 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1C ZINC000016711384 570403564 /nfs/dbraw/zinc/40/35/64/570403564.db2.gz CEYRYKYEWSKRCZ-QOCHGBHMSA-N 0 0 375.324 6.250 40 30 GKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCC ZINC000006959583 570403909 /nfs/dbraw/zinc/40/39/09/570403909.db2.gz JETSMCBSYVDIMN-SRZZPIQSSA-N 0 0 396.712 5.959 40 30 GKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCC ZINC000006959570 570403957 /nfs/dbraw/zinc/40/39/57/570403957.db2.gz NLVXQLNYFFWISB-CIAFOILYSA-N 0 0 376.294 5.614 40 30 GKEBRN CC(C)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408772292 570405883 /nfs/dbraw/zinc/40/58/83/570405883.db2.gz NSXTZNSAIKJOBP-YBEGLDIGSA-N 0 0 391.323 6.008 40 30 GKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408777459 570408599 /nfs/dbraw/zinc/40/85/99/570408599.db2.gz ZUZMYHANJVZNEB-FMCGGJTJSA-N 0 0 381.863 6.023 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000006963913 570410879 /nfs/dbraw/zinc/41/08/79/570410879.db2.gz WCZIPIRLJHDFFU-HZHRSRAPSA-N 0 0 396.284 6.391 40 30 GKEBRN Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2cc3ccccc3o2)cc1C ZINC000005212236 570431372 /nfs/dbraw/zinc/43/13/72/570431372.db2.gz BJNZISXIUPRZQN-OUKQBFOZSA-N 0 0 382.459 6.525 40 30 GKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1 ZINC000005283135 570433294 /nfs/dbraw/zinc/43/32/94/570433294.db2.gz CFWIUJSFDBBPGO-YBFXNURJSA-N 0 0 395.094 5.527 40 30 GKEBRN CCCCc1ccc2nccc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000005392950 570437321 /nfs/dbraw/zinc/43/73/21/570437321.db2.gz OVHKMDYNSDTOLJ-PKAZHMFMSA-N 0 0 383.495 6.185 40 30 GKEBRN C(=N/n1cnnc1SCc1ccccc1)\c1cccc(Oc2ccccc2)c1 ZINC000005486705 570442106 /nfs/dbraw/zinc/44/21/06/570442106.db2.gz QNMPQYDZPSMOQN-BUVRLJJBSA-N 0 0 386.480 5.245 40 30 GKEBRN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C/C=C1C(=O)c2ccccc2C1=O ZINC000005549417 570445163 /nfs/dbraw/zinc/44/51/63/570445163.db2.gz MGZOKNHCACVLNG-IMPVHPJMSA-N 0 0 381.475 5.416 40 30 GKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1cccc2ccccc12 ZINC000005551551 570445506 /nfs/dbraw/zinc/44/55/06/570445506.db2.gz AZQXFDAMVSTQQS-VCHYOVAHSA-N 0 0 399.302 6.038 40 30 GKEBRN CC(=NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1O ZINC000005612731 570449149 /nfs/dbraw/zinc/44/91/49/570449149.db2.gz KJEFAYUVUVRTDD-BRJLIKDPSA-N 0 0 388.345 5.537 40 30 GKEBRN Cc1c2[nH]c3ccccc3c2c(C)c2c1C=CN(C(=O)c1ccccc1)[C@H]2C#N ZINC000005648796 570449883 /nfs/dbraw/zinc/44/98/83/570449883.db2.gz JGENIMKZFTZVGX-NRFANRHFSA-N 0 0 377.447 5.629 40 30 GKEBRN C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 ZINC000225303941 570456075 /nfs/dbraw/zinc/45/60/75/570456075.db2.gz POPSZVYCHMNBCS-UHFFFAOYSA-N 0 0 392.977 5.125 40 30 GKEBRN C=CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000225679768 570457134 /nfs/dbraw/zinc/45/71/34/570457134.db2.gz WVLMVCUKUHIPIR-LJQANCHMSA-N 0 0 382.529 5.149 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665996 570457375 /nfs/dbraw/zinc/45/73/75/570457375.db2.gz BBJLHMZJGGMCFY-SFHVURJKSA-N 0 0 395.572 5.289 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 ZINC000225679840 570457635 /nfs/dbraw/zinc/45/76/35/570457635.db2.gz PNZIYHMVWLZFAP-IBGZPJMESA-N 0 0 382.529 5.149 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 ZINC000225675785 570457834 /nfs/dbraw/zinc/45/78/34/570457834.db2.gz SDINWEBYJPVCOK-LJQANCHMSA-N 0 0 382.529 5.149 40 30 GKEBRN C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1C(F)(F)F ZINC000225956857 570458315 /nfs/dbraw/zinc/45/83/15/570458315.db2.gz HVRYVZTYNSUICO-UHFFFAOYSA-N 0 0 377.406 5.478 40 30 GKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCC ZINC000008084237 570458394 /nfs/dbraw/zinc/45/83/94/570458394.db2.gz PJRGDAZMRNVSLH-FYJGNVAPSA-N 0 0 376.294 5.560 40 30 GKEBRN C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F ZINC000225955049 570458454 /nfs/dbraw/zinc/45/84/54/570458454.db2.gz BWVRWZMUXHLJTH-UHFFFAOYSA-N 0 0 389.417 5.721 40 30 GKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)C(F)(F)F ZINC000005900023 570461106 /nfs/dbraw/zinc/46/11/06/570461106.db2.gz MVDKKNWKDRZOTN-UHFFFAOYSA-N 0 0 398.409 5.511 40 30 GKEBRN COc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000005918220 570461579 /nfs/dbraw/zinc/46/15/79/570461579.db2.gz OXWGABSARQQFMS-SSDVNMTOSA-N 0 0 376.239 6.021 40 30 GKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cn1)C(C)=CC(C)(C)N2C(C)C ZINC000223501067 570468592 /nfs/dbraw/zinc/46/85/92/570468592.db2.gz FGFQTCFXUNLWDC-WYMPLXKRSA-N 0 0 393.491 5.155 40 30 GKEBRN CCN1c2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223531204 570469466 /nfs/dbraw/zinc/46/94/66/570469466.db2.gz LCRNWCMFHHSZHG-VBHMAFOESA-N 0 0 380.561 5.119 40 30 GKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1 ZINC000408760088 570469822 /nfs/dbraw/zinc/46/98/22/570469822.db2.gz RJPMIUJECMSUCS-KSEXSDGBSA-N 0 0 377.702 6.805 40 30 GKEBRN CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C(=O)N1CC ZINC000223534851 570470009 /nfs/dbraw/zinc/47/00/09/570470009.db2.gz CCXNFXAURXBWHK-VGSCUOFZSA-N 0 0 385.577 5.111 40 30 GKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000008277840 570470759 /nfs/dbraw/zinc/47/07/59/570470759.db2.gz NFXHPLAUNCEYMC-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(Cl)cc1NC1=NC(=S)N(C2CCCCC2)C12CCCCC2 ZINC000006206096 570471795 /nfs/dbraw/zinc/47/17/95/570471795.db2.gz VCTZZVUJSRBIBR-UHFFFAOYSA-N 0 0 389.996 5.904 40 30 GKEBRN C/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N1C ZINC000223604974 570473638 /nfs/dbraw/zinc/47/36/38/570473638.db2.gz UVILGIOAHVGCCF-OETUTJMZSA-N 0 0 385.577 5.028 40 30 GKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223617922 570474617 /nfs/dbraw/zinc/47/46/17/570474617.db2.gz BVWZPRBOJFGJMU-BJRSOBTISA-N 0 0 376.588 7.370 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000169879231 570475794 /nfs/dbraw/zinc/47/57/94/570475794.db2.gz MDBDSLKBDXDLGR-LPYMAVHISA-N 0 0 381.819 5.273 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 ZINC000000677601 570476147 /nfs/dbraw/zinc/47/61/47/570476147.db2.gz SHTYSHOXAUNRQQ-XMMPIXPASA-N 0 0 398.462 6.058 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c12 ZINC000000677599 570476191 /nfs/dbraw/zinc/47/61/91/570476191.db2.gz SHTYSHOXAUNRQQ-DEOSSOPVSA-N 0 0 398.462 6.058 40 30 GKEBRN Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000000728294 570478446 /nfs/dbraw/zinc/47/84/46/570478446.db2.gz QYSFDHSVIPZMBV-WSDLNYQXSA-N 0 0 393.240 5.714 40 30 GKEBRN Clc1ccc(-c2cs/c(=N\N=C3CCCCC3)n2-c2ccccc2)cc1 ZINC000006400016 570479165 /nfs/dbraw/zinc/47/91/65/570479165.db2.gz JZDPMAUKZMFTMT-FLFQWRMESA-N 0 0 381.932 6.080 40 30 GKEBRN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4O)c3C)nc2c1 ZINC000000793653 570481941 /nfs/dbraw/zinc/48/19/41/570481941.db2.gz FQERCGASXDKUCG-WYMPLXKRSA-N 0 0 376.843 6.221 40 30 GKEBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc2c(c1)OCO2 ZINC000000808982 570484090 /nfs/dbraw/zinc/48/40/90/570484090.db2.gz RBNXZHKEDLQMHB-BHGWPJFGSA-N 0 0 390.826 5.936 40 30 GKEBRN N#C[C@@H](c1ccccc1)c1ccc(NC(=S)Nc2ccccc2)cc1Cl ZINC000006616177 570484749 /nfs/dbraw/zinc/48/47/49/570484749.db2.gz JHXIQLBLSYOAPP-IBGZPJMESA-N 0 0 377.900 5.804 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408762110 570485078 /nfs/dbraw/zinc/48/50/78/570485078.db2.gz JDPOSHZSDRAXOB-YZSQISJMSA-N 0 0 388.511 6.110 40 30 GKEBRN Cc1cc(I)cc(/C=N/c2cccc3ccccc32)c1O ZINC000006825847 570496253 /nfs/dbraw/zinc/49/62/53/570496253.db2.gz MSEKHYMENYNRMN-RGVLZGJSSA-N 0 0 387.220 5.209 40 30 GKEBRN O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccccc1 ZINC000006927247 570499030 /nfs/dbraw/zinc/49/90/30/570499030.db2.gz JKLAFAOODFCBPC-VOTSOKGWSA-N 0 0 379.095 6.184 40 30 GKEBRN CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1 ZINC000006921192 570499033 /nfs/dbraw/zinc/49/90/33/570499033.db2.gz QHGRPTNUHWYCEN-UHFFFAOYSA-N 0 0 398.524 7.928 40 30 GKEBRN Clc1ccc(/C=N/c2ccc3nc(-c4ccc5ccccc5c4)oc3c2)cc1 ZINC000003102973 570504215 /nfs/dbraw/zinc/50/42/15/570504215.db2.gz AHHZGKCAMPEVFI-CVKSISIWSA-N 0 0 382.850 7.052 40 30 GKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000408932805 570506177 /nfs/dbraw/zinc/50/61/77/570506177.db2.gz ZHZUTHWTDMFNHO-ZMFRSBBQSA-N 0 0 385.433 6.176 40 30 GKEBRN Cc1ccc(C)c2nc(Cl)c(C[C@H](C#N)C(=O)Nc3c(C)cccc3C)cc12 ZINC000000883116 570508831 /nfs/dbraw/zinc/50/88/31/570508831.db2.gz AMIYONDZTRWRBL-GOSISDBHSA-N 0 0 391.902 5.443 40 30 GKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c1 ZINC000408936551 570509849 /nfs/dbraw/zinc/50/98/49/570509849.db2.gz KZSAZSDLQFIKDX-XQUDSNIVSA-N 0 0 395.462 6.172 40 30 GKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c1 ZINC000408936549 570509855 /nfs/dbraw/zinc/50/98/55/570509855.db2.gz KZSAZSDLQFIKDX-SASJVVMLSA-N 0 0 395.462 6.172 40 30 GKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c1 ZINC000408936548 570509935 /nfs/dbraw/zinc/50/99/35/570509935.db2.gz KZSAZSDLQFIKDX-QOGPNBCKSA-N 0 0 395.462 6.172 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000000899049 570513374 /nfs/dbraw/zinc/51/33/74/570513374.db2.gz RAMALCIYEKQXCI-WSDLNYQXSA-N 0 0 376.803 5.542 40 30 GKEBRN Cc1ccc(/C=C2/S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)o1 ZINC000008550935 570533895 /nfs/dbraw/zinc/53/38/95/570533895.db2.gz ADIDLEJVPHTZCH-NTUHNPAUSA-N 0 0 386.782 5.152 40 30 GKEBRN Oc1ccccc1/C=N\N=C(\C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000008637746 570535959 /nfs/dbraw/zinc/53/59/59/570535959.db2.gz PQAZVBGWMZXENT-MZHOQJIUSA-N 0 0 378.834 5.721 40 30 GKEBRN CC(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002337433 570543311 /nfs/dbraw/zinc/54/33/11/570543311.db2.gz LSTAFZNYHVLUKT-FBHDLOMBSA-N 0 0 391.327 5.546 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)cc1 ZINC000408757913 570549322 /nfs/dbraw/zinc/54/93/22/570549322.db2.gz DQWQNTPNNHYRQM-UCQKPKSFSA-N 0 0 381.317 6.170 40 30 GKEBRN CCOC(=O)c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000035771580 570550287 /nfs/dbraw/zinc/55/02/87/570550287.db2.gz BLIOEHOEXWQQDN-XKZIYDEJSA-N 0 0 391.452 5.179 40 30 GKEBRN Clc1ccc(C=Nc2cc(-c3ccc(Br)cc3)[nH]n2)c(Cl)c1 ZINC000009925874 570562635 /nfs/dbraw/zinc/56/26/35/570562635.db2.gz WWVCVGBAFFSRFC-AWQFTUOYSA-N 0 0 395.087 5.897 40 30 GKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000010272247 570567137 /nfs/dbraw/zinc/56/71/37/570567137.db2.gz QMUTWRBFFVDYDU-IPZCSDAYSA-N 0 0 388.507 5.520 40 30 GKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 ZINC000010272246 570567183 /nfs/dbraw/zinc/56/71/83/570567183.db2.gz QMUTWRBFFVDYDU-LDDHGXPRSA-N 0 0 388.507 5.520 40 30 GKEBRN N#Cc1cc2ccccc2nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000001331005 570568277 /nfs/dbraw/zinc/56/82/77/570568277.db2.gz RCLPILVCERBRCC-UHFFFAOYSA-N 0 0 395.487 5.563 40 30 GKEBRN CCCOc1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(OCCC)c1 ZINC000003266217 570600129 /nfs/dbraw/zinc/60/01/29/570600129.db2.gz KZFYTRVYWKOEDX-HZHRSRAPSA-N 0 0 399.560 5.202 40 30 GKEBRN CCOc1ccc(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 ZINC000003282116 570601260 /nfs/dbraw/zinc/60/12/60/570601260.db2.gz RMZKCDSCLVMPPP-XQNSMLJCSA-N 0 0 391.496 5.198 40 30 GKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000005475526 570604400 /nfs/dbraw/zinc/60/44/00/570604400.db2.gz QPRWVZGGTABDGQ-OAHLLOKOSA-N 0 0 382.529 5.422 40 30 GKEBRN COc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000004315150 570625393 /nfs/dbraw/zinc/62/53/93/570625393.db2.gz MRBVBEITBDKJEA-MTDXEUNCSA-N 0 0 391.470 6.732 40 30 GKEBRN N#CCc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 ZINC000225853357 570626638 /nfs/dbraw/zinc/62/66/38/570626638.db2.gz AUDPWIFNQWBHRF-UHFFFAOYSA-N 0 0 397.975 5.638 40 30 GKEBRN Cc1ccc(C)c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 ZINC000004849174 570635456 /nfs/dbraw/zinc/63/54/56/570635456.db2.gz VSUFXQASMNPWKH-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CC(N=Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000004713173 570636481 /nfs/dbraw/zinc/63/64/81/570636481.db2.gz NCCPBBZMFSLNHB-BHGWPJFGSA-N 0 0 391.689 5.940 40 30 GKEBRN O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000004713464 570636500 /nfs/dbraw/zinc/63/65/00/570636500.db2.gz SMRMDUMFVBYKAK-RUZDIDTESA-N 0 0 393.873 6.658 40 30 GKEBRN Cc1ccc(C(C)N=Nc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000004713104 570636659 /nfs/dbraw/zinc/63/66/59/570636659.db2.gz BPEKLLZNGMXGHQ-BUVRLJJBSA-N 0 0 395.304 5.359 40 30 GKEBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 ZINC000004852257 570637948 /nfs/dbraw/zinc/63/79/48/570637948.db2.gz AUWAYXIYSJPUEO-CCEZHUSRSA-N 0 0 389.520 6.194 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000033699304 570646264 /nfs/dbraw/zinc/64/62/64/570646264.db2.gz ULRHPGFOKRLTMP-SRZZPIQSSA-N 0 0 384.775 5.045 40 30 GKEBRN O=C1CCCC(=O)C1C(c1ccc(Cl)cc1Cl)C1C(=O)CCCC1=O ZINC000004903320 570646907 /nfs/dbraw/zinc/64/69/07/570646907.db2.gz PVMFKFUITPHLEC-UHFFFAOYSA-N 0 0 381.255 5.207 40 30 GKEBRN C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000058821973 570648606 /nfs/dbraw/zinc/64/86/06/570648606.db2.gz JZPPXZKURNRWMJ-DEDYPNTBSA-N 0 0 390.533 5.077 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000058823093 570648775 /nfs/dbraw/zinc/64/87/75/570648775.db2.gz VMYMOLKOZBPUGS-PCLIKHOPSA-N 0 0 397.434 5.773 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000058872346 570648848 /nfs/dbraw/zinc/64/88/48/570648848.db2.gz LDLPGANCBVHRAW-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000059105825 570650293 /nfs/dbraw/zinc/65/02/93/570650293.db2.gz UJTDWTJYUGJCMJ-XSFVSMFZSA-N 0 0 390.439 5.510 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)cc1 ZINC000059137830 570650723 /nfs/dbraw/zinc/65/07/23/570650723.db2.gz PTIAXBQKRQUADE-AQTBWJFISA-N 0 0 392.505 5.631 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 ZINC000059248730 570652502 /nfs/dbraw/zinc/65/25/02/570652502.db2.gz NXJXBJSISZMIQN-CNRHGSOZSA-N 0 0 391.309 5.143 40 30 GKEBRN Brc1cc(/C=N/c2cccc(Br)c2)oc1N1CCCC1 ZINC000059250508 570652926 /nfs/dbraw/zinc/65/29/26/570652926.db2.gz VKDQTWLAHRPKSQ-VCHYOVAHSA-N 0 0 398.098 5.155 40 30 GKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Br)cc3)nc1-2 ZINC000059459292 570654152 /nfs/dbraw/zinc/65/41/52/570654152.db2.gz FSTQIAFTGRLGNW-SRZZPIQSSA-N 0 0 399.313 5.430 40 30 GKEBRN CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(C(C)=NOCC)C(=O)C2)c1C ZINC000521218418 570654349 /nfs/dbraw/zinc/65/43/49/570654349.db2.gz UDCNVZNMZRVYGV-FLVDCRJSSA-N 0 0 385.504 5.266 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471667 570654564 /nfs/dbraw/zinc/65/45/64/570654564.db2.gz FIRMSYPPOYQBOA-WGCMYMJESA-N 0 0 395.462 6.172 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000059471673 570654573 /nfs/dbraw/zinc/65/45/73/570654573.db2.gz FIRMSYPPOYQBOA-QOGPNBCKSA-N 0 0 395.462 6.172 40 30 GKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3)nc2-c2ccccc2)cc1 ZINC000059463651 570654577 /nfs/dbraw/zinc/65/45/77/570654577.db2.gz XKBXGYZWPSAOOI-HZHRSRAPSA-N 0 0 385.448 6.136 40 30 GKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059463814 570654685 /nfs/dbraw/zinc/65/46/85/570654685.db2.gz AFSRRYOTNZNCHZ-PCLIKHOPSA-N 0 0 384.504 6.545 40 30 GKEBRN O=[N+]([O-])c1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463570 570654756 /nfs/dbraw/zinc/65/47/56/570654756.db2.gz VPULIGLUFWDVSQ-HZHRSRAPSA-N 0 0 385.448 6.136 40 30 GKEBRN Cc1c(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cnn1C ZINC000118916090 570654869 /nfs/dbraw/zinc/65/48/69/570654869.db2.gz FHBPPNPYHCJYHP-PDKCTGEWSA-N 0 0 380.576 5.724 40 30 GKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426959 570656868 /nfs/dbraw/zinc/65/68/68/570656868.db2.gz NTVBZXXPCOSEFG-VULFUBBASA-N 0 0 387.552 6.274 40 30 GKEBRN O=C(Oc1ccc(/C=N/c2ccccc2)cc1)c1sc2ccccc2c1Cl ZINC000059500694 570659563 /nfs/dbraw/zinc/65/95/63/570659563.db2.gz ITHVDOLYCHWTQF-ZVHZXABRSA-N 0 0 391.879 6.525 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c(C)c1 ZINC000059679116 570660903 /nfs/dbraw/zinc/66/09/03/570660903.db2.gz SSGIPBWVBQPIQJ-LPYMAVHISA-N 0 0 397.272 5.085 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(Cl)c1Cl ZINC000408991019 570662733 /nfs/dbraw/zinc/66/27/33/570662733.db2.gz PKJYPCVTRUVBGJ-JYRVWZFOSA-N 0 0 383.687 5.538 40 30 GKEBRN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cc(C(C)(C)C)ccc1O ZINC000005490203 570663718 /nfs/dbraw/zinc/66/37/18/570663718.db2.gz JBNJOJVVAFKESV-LGJNPRDNSA-N 0 0 398.466 5.127 40 30 GKEBRN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1c(Cl)cccc1Cl ZINC000002588966 570668638 /nfs/dbraw/zinc/66/86/38/570668638.db2.gz LEFPZYTXRPRXEN-UWVJOHFNSA-N 0 0 383.691 5.076 40 30 GKEBRN Clc1cccc(/N=C\c2cccn2-c2cccc(Br)c2)c1Cl ZINC000409008923 570670666 /nfs/dbraw/zinc/67/06/66/570670666.db2.gz AIFGKLTWKLALGK-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC=Cc1ccccc1 ZINC000012466183 570671725 /nfs/dbraw/zinc/67/17/25/570671725.db2.gz CMPZRKCMQAFYNY-AREPWMROSA-N 0 0 375.284 5.088 40 30 GKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)ccc1O ZINC000408771677 570681831 /nfs/dbraw/zinc/68/18/31/570681831.db2.gz AKBAPGZLQDCOJP-QPEQYQDCSA-N 0 0 399.686 5.244 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1Cl ZINC000408776220 570682246 /nfs/dbraw/zinc/68/22/46/570682246.db2.gz VNOACHXKHTWUTE-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408776104 570682372 /nfs/dbraw/zinc/68/23/72/570682372.db2.gz LSKBVRBHQBIXGU-UCQKPKSFSA-N 0 0 397.316 5.484 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2)cc1 ZINC000408773883 570682759 /nfs/dbraw/zinc/68/27/59/570682759.db2.gz XVQHLBUYLMQSLY-OVVQPSECSA-N 0 0 396.490 6.646 40 30 GKEBRN 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/nfs/dbraw/zinc/07/24/40/231072440.db2.gz BDSCPIFTPCGGEM-OYKKKHCWSA-N 0 0 378.884 5.914 40 30 GKEBRN N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000408594510 231072467 /nfs/dbraw/zinc/07/24/67/231072467.db2.gz HQDQCHQCVPSZLY-ZVHZXABRSA-N 0 0 378.884 5.914 40 30 GKEBRN O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000408593584 231072481 /nfs/dbraw/zinc/07/24/81/231072481.db2.gz QJQYVOQWQFBLEY-FBHDLOMBSA-N 0 0 391.210 5.712 40 30 GKEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408594668 231072569 /nfs/dbraw/zinc/07/25/69/231072569.db2.gz URVDYLJTKINIHE-ROTLSHHCSA-N 0 0 398.293 5.823 40 30 GKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(F)cc2Br)o1 ZINC000408596378 231072700 /nfs/dbraw/zinc/07/27/00/231072700.db2.gz RWTBOQTVIJZYFY-FOKLQQMPSA-N 0 0 399.219 5.271 40 30 GKEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000408596732 231072708 /nfs/dbraw/zinc/07/27/08/231072708.db2.gz TWPCPXJLHPGDJL-AFUMVMLFSA-N 0 0 376.843 5.341 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1Br ZINC000408692812 231095617 /nfs/dbraw/zinc/09/56/17/231095617.db2.gz VZGCDBDNDOWAFQ-OUKQBFOZSA-N 0 0 394.312 6.061 40 30 GKEBRN Clc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1Cl ZINC000408727492 231106290 /nfs/dbraw/zinc/10/62/90/231106290.db2.gz ZXGBZMSHGCJDPR-UFFVCSGVSA-N 0 0 388.279 6.309 40 30 GKEBRN COc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1 ZINC000408721064 231104534 /nfs/dbraw/zinc/10/45/34/231104534.db2.gz JMOFVBMVASGCBW-SRZZPIQSSA-N 0 0 396.244 5.116 40 30 GKEBRN Cc1cc(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1C ZINC000408720532 231104789 /nfs/dbraw/zinc/10/47/89/231104789.db2.gz SZIMBBGPVVSUOS-MHZLTWQESA-N 0 0 395.546 7.075 40 30 GKEBRN Cc1ccc(NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1 ZINC000408719017 231105086 /nfs/dbraw/zinc/10/50/86/231105086.db2.gz FVXWERNDTLSRNT-VULFUBBASA-N 0 0 387.914 6.406 40 30 GKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3c(O)ccc4ccccc43)nc1-2 ZINC000408722497 231105342 /nfs/dbraw/zinc/10/53/42/231105342.db2.gz 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ZINC000408628482 231089038 /nfs/dbraw/zinc/08/90/38/231089038.db2.gz UFMPNJGCWFNGOU-UHFFFAOYSA-N 0 0 390.805 5.146 40 30 GKEBRN O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1Cl ZINC000408723444 231105992 /nfs/dbraw/zinc/10/59/92/231105992.db2.gz UYYFJUURVXCDQK-ATJXCDBQSA-N 0 0 394.814 5.052 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 ZINC000408663254 231092243 /nfs/dbraw/zinc/09/22/43/231092243.db2.gz RPVOVNRPZMFYTR-XYOKQWHBSA-N 0 0 379.887 5.961 40 30 GKEBRN Cc1sc(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C#N)c1C ZINC000408831449 231119909 /nfs/dbraw/zinc/11/99/09/231119909.db2.gz ZQEZFWUCWGIQIA-RPPGKUMJSA-N 0 0 387.483 6.129 40 30 GKEBRN COc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl ZINC000408850877 231121685 /nfs/dbraw/zinc/12/16/85/231121685.db2.gz FFRJSLJUKFGAAW-VXLYETTFSA-N 0 0 383.673 5.055 40 30 GKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(F)cc1 ZINC000408856850 231122279 /nfs/dbraw/zinc/12/22/79/231122279.db2.gz RJJQGZBHAAQILX-CFRMEGHHSA-N 0 0 393.418 5.376 40 30 GKEBRN Clc1ccc(Sc2oc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000408859565 231122518 /nfs/dbraw/zinc/12/25/18/231122518.db2.gz YGLNKBFZJPTZKM-RGVLZGJSSA-N 0 0 392.705 6.597 40 30 GKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408862077 231122738 /nfs/dbraw/zinc/12/27/38/231122738.db2.gz IARFEJBQUWEFDR-ODZDUDKDSA-N 0 0 376.525 5.869 40 30 GKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 ZINC000408862564 231122762 /nfs/dbraw/zinc/12/27/62/231122762.db2.gz HGWVHFCUGGZIPY-QGEXOZEFSA-N 0 0 392.524 5.575 40 30 GKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 ZINC000408858048 231123039 /nfs/dbraw/zinc/12/30/39/231123039.db2.gz IPYOUTRRNMIXLL-WQRHYEAKSA-N 0 0 386.904 5.327 40 30 GKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 ZINC000408862565 231123086 /nfs/dbraw/zinc/12/30/86/231123086.db2.gz HGWVHFCUGGZIPY-SDDRMIQHSA-N 0 0 392.524 5.575 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3cccc4ccccc43)c2)nc1 ZINC000408887825 231125243 /nfs/dbraw/zinc/12/52/43/231125243.db2.gz RLQMEICKCINXLB-AFUMVMLFSA-N 0 0 398.422 5.168 40 30 GKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc21 ZINC000408910387 231129100 /nfs/dbraw/zinc/12/91/00/231129100.db2.gz JYKLRZOLUYFOPZ-IWIPYMOSSA-N 0 0 384.439 5.602 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccccc3Cl)cc1)C2 ZINC000408729670 231106353 /nfs/dbraw/zinc/10/63/53/231106353.db2.gz BWNWNERMXKWPDS-FMIVXFBMSA-N 0 0 387.910 6.373 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1C1CCCCC1 ZINC000408743092 231110781 /nfs/dbraw/zinc/11/07/81/231110781.db2.gz ZELDVGVVPDUPOM-STZFKDTASA-N 0 0 393.556 5.810 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408743047 231111137 /nfs/dbraw/zinc/11/11/37/231111137.db2.gz YXDINWZREYCCFK-OEAKJJBVSA-N 0 0 396.332 5.673 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408754121 231111928 /nfs/dbraw/zinc/11/19/28/231111928.db2.gz IOSJXXGMYREQJY-KNOQFWTLSA-N 0 0 393.446 5.545 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408787044 231113945 /nfs/dbraw/zinc/11/39/45/231113945.db2.gz PWPFUQXJOOWVQR-PCLIKHOPSA-N 0 0 393.918 5.335 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1C1CCCC1 ZINC000408786140 231113990 /nfs/dbraw/zinc/11/39/90/231113990.db2.gz FKMSEEGHVKZDLY-MOSHPQCFSA-N 0 0 379.529 5.420 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1C1CCCC1 ZINC000408779094 231114249 /nfs/dbraw/zinc/11/42/49/231114249.db2.gz QYTOLNPWJYAKEV-MOSHPQCFSA-N 0 0 379.529 5.420 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408784111 231114665 /nfs/dbraw/zinc/11/46/65/231114665.db2.gz SSOZYZADBOFQHB-WPWMEQJKSA-N 0 0 399.925 7.242 40 30 GKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1 ZINC000408803407 231116749 /nfs/dbraw/zinc/11/67/49/231116749.db2.gz ONOFOBXXKFURMP-CFRMEGHHSA-N 0 0 399.277 5.762 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408953563 231135521 /nfs/dbraw/zinc/13/55/21/231135521.db2.gz OPSQHPBOLYCPRT-NBWKYZOKSA-N 0 0 380.491 6.272 40 30 GKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964806 231136759 /nfs/dbraw/zinc/13/67/59/231136759.db2.gz FAWKFLULMGSOTF-MTDXEUNCSA-N 0 0 380.535 7.295 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965838 231137040 /nfs/dbraw/zinc/13/70/40/231137040.db2.gz IYRIJQOKVRMYKN-WGARJPEWSA-N 0 0 399.365 7.449 40 30 GKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964638 231137603 /nfs/dbraw/zinc/13/76/03/231137603.db2.gz DADQNNGQXWVALU-OGLMXYFKSA-N 0 0 381.523 6.690 40 30 GKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968592 231137971 /nfs/dbraw/zinc/13/79/71/231137971.db2.gz XSAXHNBOVCZRKT-IWIPYMOSSA-N 0 0 375.472 6.050 40 30 GKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1cccnc1)CCCCCC2 ZINC000408969009 231138274 /nfs/dbraw/zinc/13/82/74/231138274.db2.gz FRXTUDWVHSAFLC-PCLIKHOPSA-N 0 0 389.524 5.805 40 30 GKEBRN Cc1c(/C=N/c2cc(C)cc(C)c2)c2ccccn2c1/C=N/c1cc(C)cc(C)c1 ZINC000408973724 231138909 /nfs/dbraw/zinc/13/89/09/231138909.db2.gz QDMQVAOMYAVAIU-LPHFKDDMSA-N 0 0 393.534 6.983 40 30 GKEBRN N#Cc1c(/N=C/c2ccc(Cl)cc2Cl)oc(-c2ccco2)c1-c1ccco1 ZINC000408974694 231138929 /nfs/dbraw/zinc/13/89/29/231138929.db2.gz GXBXKDJONUCMCS-BHGWPJFGSA-N 0 0 397.217 6.729 40 30 GKEBRN N#Cc1c(N)nc2c(c1-c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CCCC2 ZINC000408977037 231140112 /nfs/dbraw/zinc/14/01/12/231140112.db2.gz CHSNYAWJSAYCDF-UHFFFAOYSA-N 0 0 384.266 5.478 40 30 GKEBRN Oc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(O)c1 ZINC000408979660 231141048 /nfs/dbraw/zinc/14/10/48/231141048.db2.gz ROFZQBIQZBYWGH-YDZHTSKRSA-N 0 0 378.497 6.020 40 30 GKEBRN Cc1cc(C)c(COc2ccc(-c3c(C#N)c(N)nc4c3CCCC4)cc2)c(C)c1 ZINC000408979532 231141061 /nfs/dbraw/zinc/14/10/61/231141061.db2.gz MQDLJXZRBZJXIA-UHFFFAOYSA-N 0 0 397.522 5.416 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3Cl)S2)c1C ZINC000408988043 231142245 /nfs/dbraw/zinc/14/22/45/231142245.db2.gz GRXBPCVIPDIHKR-DHDCSXOGSA-N 0 0 377.296 5.502 40 30 GKEBRN Cc1cc(C)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c(C)c1 ZINC000408984092 231142537 /nfs/dbraw/zinc/14/25/37/231142537.db2.gz DZDLCPLDSYPLET-OYKKKHCWSA-N 0 0 386.516 6.520 40 30 GKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccn3)o2)S1 ZINC000408993876 231143700 /nfs/dbraw/zinc/14/37/00/231143700.db2.gz XRPFVTSBCSMBPD-VBKFSLOCSA-N 0 0 393.493 5.026 40 30 GKEBRN Cc1cccc(Cn2cc(/C=N\NC(=S)Nc3ccccc3)c3ccccc32)c1 ZINC000408994508 231144061 /nfs/dbraw/zinc/14/40/61/231144061.db2.gz HVGPFTJVBKLNDL-MYYYXRDXSA-N 0 0 398.535 5.319 40 30 GKEBRN O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)Nc1ccccc1Cl ZINC000409001421 231146123 /nfs/dbraw/zinc/14/61/23/231146123.db2.gz PRLOICWCDDNGAJ-CFRMEGHHSA-N 0 0 382.822 5.247 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409024427 231148604 /nfs/dbraw/zinc/14/86/04/231148604.db2.gz XYEGSVLSNQVSSK-VXLYETTFSA-N 0 0 390.877 5.302 40 30 GKEBRN CCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 ZINC000409050667 231151487 /nfs/dbraw/zinc/15/14/87/231151487.db2.gz YILGHAVUPRMIJT-JAHAZDFLSA-N 0 0 381.348 5.420 40 30 GKEBRN COc1ccc(C(=O)C=CNc2ccccc2Oc2ccccc2)cc1OC ZINC000409056342 231152137 /nfs/dbraw/zinc/15/21/37/231152137.db2.gz CXSGJJJJSLCLMX-CCEZHUSRSA-N 0 0 375.424 5.305 40 30 GKEBRN Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1F ZINC000408914388 231130145 /nfs/dbraw/zinc/13/01/45/231130145.db2.gz PSHVJDGNASFHSL-UHFFFAOYSA-N 0 0 395.433 5.600 40 30 GKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(C)C ZINC000408913095 231130430 /nfs/dbraw/zinc/13/04/30/231130430.db2.gz SMAXPBSRPIXATA-UCQKPKSFSA-N 0 0 376.460 5.572 40 30 GKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408913454 231130661 /nfs/dbraw/zinc/13/06/61/231130661.db2.gz MLRVFPGBKRBGQW-QNQNADBQSA-N 0 0 380.513 5.406 40 30 GKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408914846 231130690 /nfs/dbraw/zinc/13/06/90/231130690.db2.gz XZVOGDJHZGYGPT-LVCNHQDNSA-N 0 0 398.531 5.842 40 30 GKEBRN Cc1nn(-c2ccccc2)c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 ZINC000408919783 231131710 /nfs/dbraw/zinc/13/17/10/231131710.db2.gz CHZMKJXEDNNTLI-UHFFFAOYSA-N 0 0 399.494 5.102 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)cc1C ZINC000408932391 231133115 /nfs/dbraw/zinc/13/31/15/231133115.db2.gz WPDDIWAKVAEDLZ-YZSQISJMSA-N 0 0 387.527 5.298 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Cl ZINC000408931753 231133423 /nfs/dbraw/zinc/13/34/23/231133423.db2.gz PTHSGOJSBNCEOB-PCLIKHOPSA-N 0 0 393.918 5.335 40 30 GKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408938984 231133947 /nfs/dbraw/zinc/13/39/47/231133947.db2.gz LMVPMVHULOOKQJ-WMWGNTEASA-N 0 0 394.518 6.662 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(Br)o1 ZINC000408955702 231134559 /nfs/dbraw/zinc/13/45/59/231134559.db2.gz YPNUCVNSHPSJCG-OMCISZLKSA-N 0 0 377.463 5.517 40 30 GKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(N(C)C)cc2)c(Br)c1 ZINC000408955124 231134624 /nfs/dbraw/zinc/13/46/24/231134624.db2.gz WLSBBKNCCQISCH-HMAPJEAMSA-N 0 0 382.305 5.365 40 30 GKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000408959543 231134817 /nfs/dbraw/zinc/13/48/17/231134817.db2.gz ATBSVBRIYKRNNI-CIAFOILYSA-N 0 0 377.713 5.762 40 30 GKEBRN O=[N+]([O-])c1cc(/C=N\c2ccc(O)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000409116674 231165034 /nfs/dbraw/zinc/16/50/34/231165034.db2.gz JWOCHGCRJGZXLO-MTJSOVHGSA-N 0 0 384.844 5.856 40 30 GKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 ZINC000409131708 231169404 /nfs/dbraw/zinc/16/94/04/231169404.db2.gz YSYPBCSWNYYKEE-UDWIEESQSA-N 0 0 392.480 5.435 40 30 GKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2c1CCCC2 ZINC000409063028 231153493 /nfs/dbraw/zinc/15/34/93/231153493.db2.gz FSKIZXRCAVIAFU-OEAKJJBVSA-N 0 0 394.500 5.148 40 30 GKEBRN Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 ZINC000409071162 231153961 /nfs/dbraw/zinc/15/39/61/231153961.db2.gz FJLSGHFAYMWEEB-NLRVBDNBSA-N 0 0 386.495 5.683 40 30 GKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3ccccc3)c3ccccc23)nc1 ZINC000409070332 231154500 /nfs/dbraw/zinc/15/45/00/231154500.db2.gz YRSDBONFTOOAEO-KKMKTNMSSA-N 0 0 394.400 5.549 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409079429 231155703 /nfs/dbraw/zinc/15/57/03/231155703.db2.gz JUEWTJDQWMFTCV-SQAVSUBZSA-N 0 0 375.541 6.311 40 30 GKEBRN O=[N+]([O-])c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409081605 231155962 /nfs/dbraw/zinc/15/59/62/231155962.db2.gz QKGYKWFJBUHYJK-OYKKKHCWSA-N 0 0 376.456 5.519 40 30 GKEBRN CCOc1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409079289 231156005 /nfs/dbraw/zinc/15/60/05/231156005.db2.gz AOMIUOUMCMYASV-QQXSKIMKSA-N 0 0 375.512 6.009 40 30 GKEBRN Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl ZINC000409081664 231156474 /nfs/dbraw/zinc/15/64/74/231156474.db2.gz QADKKCNOEBXVKG-VULFUBBASA-N 0 0 379.931 6.572 40 30 GKEBRN O=[N+]([O-])c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409091452 231157904 /nfs/dbraw/zinc/15/79/04/231157904.db2.gz QRIFZHWLMZTABU-OYKKKHCWSA-N 0 0 376.456 5.519 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000409089699 231158027 /nfs/dbraw/zinc/15/80/27/231158027.db2.gz PAJCZYBIQMTUTD-WSDLNYQXSA-N 0 0 387.222 6.445 40 30 GKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000409094945 231158960 /nfs/dbraw/zinc/15/89/60/231158960.db2.gz GTALIIFLSGXHMQ-XIEYBQDHSA-N 0 0 388.467 5.075 40 30 GKEBRN S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)Nc1ccccc1 ZINC000409097006 231159515 /nfs/dbraw/zinc/15/95/15/231159515.db2.gz LFQLQDOYDIXUSM-HMAPJEAMSA-N 0 0 397.956 5.812 40 30 GKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409098094 231160290 /nfs/dbraw/zinc/16/02/90/231160290.db2.gz PIJUAYBCVQZKHV-FMCGGJTJSA-N 0 0 392.738 7.549 40 30 GKEBRN Cc1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409104859 231161625 /nfs/dbraw/zinc/16/16/25/231161625.db2.gz IXEANOXHKVVGQC-RPPGKUMJSA-N 0 0 385.389 5.434 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409110334 231162950 /nfs/dbraw/zinc/16/29/50/231162950.db2.gz UQIQNBMQOSETSR-XKZIYDEJSA-N 0 0 382.872 6.458 40 30 GKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1cccc2ccccc21 ZINC000409174337 231174613 /nfs/dbraw/zinc/17/46/13/231174613.db2.gz SJTXMMVFWRNLSS-WPGFHGAGSA-N 0 0 377.447 7.064 40 30 GKEBRN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409178730 231175139 /nfs/dbraw/zinc/17/51/39/231175139.db2.gz OAXGQBDTQKLTHH-FMQUCBEESA-N 0 0 390.486 6.906 40 30 GKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409199046 231178394 /nfs/dbraw/zinc/17/83/94/231178394.db2.gz BDKRYHPJCMWQEJ-MFKUBSTISA-N 0 0 388.467 5.080 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409202320 231179008 /nfs/dbraw/zinc/17/90/08/231179008.db2.gz RNMJIKAXPXNVAD-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409203157 231179048 /nfs/dbraw/zinc/17/90/48/231179048.db2.gz UUKCUDNRABIRRK-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000409202007 231179105 /nfs/dbraw/zinc/17/91/05/231179105.db2.gz NOOWJBBWSRIGPQ-UCQKPKSFSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409203045 231179351 /nfs/dbraw/zinc/17/93/51/231179351.db2.gz VTXMTVPPAANMOW-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1cc(/C=C2\c3ccccc3N(C)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000409204699 231179526 /nfs/dbraw/zinc/17/95/26/231179526.db2.gz IKLZUKDHIYENQG-YBFXNURJSA-N 0 0 387.508 5.161 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1 ZINC000409201019 231179618 /nfs/dbraw/zinc/17/96/18/231179618.db2.gz LIFQEDUSWOSHFO-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN COc1ccc(/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000409208143 231179907 /nfs/dbraw/zinc/17/99/07/231179907.db2.gz BHOZGDUSVNYPNK-WPWMEQJKSA-N 0 0 381.475 6.486 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409208570 231180176 /nfs/dbraw/zinc/18/01/76/231180176.db2.gz GWEUIMPKEWKMMO-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 ZINC000409208696 231180316 /nfs/dbraw/zinc/18/03/16/231180316.db2.gz CESMOSUDUGVZSR-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1Cl ZINC000409207825 231180396 /nfs/dbraw/zinc/18/03/96/231180396.db2.gz ATFIPKLZLRZYGY-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409207891 231180399 /nfs/dbraw/zinc/18/03/99/231180399.db2.gz CCUMYGGBGMWPER-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1 ZINC000409213519 231180908 /nfs/dbraw/zinc/18/09/08/231180908.db2.gz UFAZDMMPUZQWDE-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)c1 ZINC000409211663 231181261 /nfs/dbraw/zinc/18/12/61/231181261.db2.gz NPJBDBDCPQGOMI-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000409210893 231181381 /nfs/dbraw/zinc/18/13/81/231181381.db2.gz LLFCDADOACDKMN-ZVHZXABRSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409212730 231181466 /nfs/dbraw/zinc/18/14/66/231181466.db2.gz QBFLDMGKWSPGBM-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409213058 231181551 /nfs/dbraw/zinc/18/15/51/231181551.db2.gz SAFKXWJIBBOOCG-OEAKJJBVSA-N 0 0 380.285 6.087 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1Cl ZINC000409209842 231181596 /nfs/dbraw/zinc/18/15/96/231181596.db2.gz JIZBRQKFDOZBEV-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409214927 231182246 /nfs/dbraw/zinc/18/22/46/231182246.db2.gz VHCCCQPBINIRGG-YUMHPJSZSA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)cc1Cl ZINC000409215356 231182270 /nfs/dbraw/zinc/18/22/70/231182270.db2.gz ZOEMIRBWEIPFFT-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000409216157 231182448 /nfs/dbraw/zinc/18/24/48/231182448.db2.gz IESSFHBQTSAFBZ-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3C)c2)c1 ZINC000409214178 231182565 /nfs/dbraw/zinc/18/25/65/231182565.db2.gz RMPXVJYCMGMRMQ-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409218589 231182596 /nfs/dbraw/zinc/18/25/96/231182596.db2.gz VUJAUWXQTVRSIQ-HMAPJEAMSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409215779 231182691 /nfs/dbraw/zinc/18/26/91/231182691.db2.gz ATWXDOIEUGRTQY-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3C)cc2)c(C)n1-c1ccccn1 ZINC000409231751 231184414 /nfs/dbraw/zinc/18/44/14/231184414.db2.gz KIOUUTAIYIZBAY-WPWMEQJKSA-N 0 0 381.479 6.340 40 30 GKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cccs1 ZINC000409307189 231189033 /nfs/dbraw/zinc/18/90/33/231189033.db2.gz RNGWZFWNMJFMBY-UHFFFAOYSA-N 0 0 399.397 5.026 40 30 GKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1 ZINC000409303921 231189093 /nfs/dbraw/zinc/18/90/93/231189093.db2.gz INNVONPLAFYOIS-UHFFFAOYSA-N 0 0 399.837 5.345 40 30 GKEBRN COc1ccc(/C=C/C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409295346 231189380 /nfs/dbraw/zinc/18/93/80/231189380.db2.gz QQLKRYLAVCHMPZ-ITMVWLFHSA-N 0 0 387.483 5.000 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)cc3F)c2)cc1C ZINC000409382653 231198465 /nfs/dbraw/zinc/19/84/65/231198465.db2.gz MUNRYNWOCJYJMJ-LGJNPRDNSA-N 0 0 394.421 5.350 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3)c2)cc1C ZINC000409385271 231199821 /nfs/dbraw/zinc/19/98/21/231199821.db2.gz HDJVFNSVNHSTGG-QFEZKATASA-N 0 0 392.886 5.725 40 30 GKEBRN CC[C@@H](C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000408962720 529437057 /nfs/dbraw/zinc/43/70/57/529437057.db2.gz JRIZZJAENPSAHA-MQMKENTISA-N 0 0 393.487 5.643 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000059248263 529429776 /nfs/dbraw/zinc/42/97/76/529429776.db2.gz LKPQYCZYBQDZTC-CNRHGSOZSA-N 0 0 375.310 5.906 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409249526 529429881 /nfs/dbraw/zinc/42/98/81/529429881.db2.gz JMPGOTFUYGUDLT-BKBIYGFMSA-N 0 0 384.498 7.093 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409250851 529429952 /nfs/dbraw/zinc/42/99/52/529429952.db2.gz OGYAFIGGVZIESK-HUSFYUSLSA-N 0 0 396.328 7.282 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1CC ZINC000408911312 529564060 /nfs/dbraw/zinc/56/40/60/529564060.db2.gz JYAWOAQFUFSZPC-NVZLDUMVSA-N 0 0 378.541 5.996 40 30 GKEBRN CCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 ZINC000409393159 529589722 /nfs/dbraw/zinc/58/97/22/529589722.db2.gz PHXBWHZSCHMDPP-AFUMVMLFSA-N 0 0 386.451 5.382 40 30 GKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409215517 529589829 /nfs/dbraw/zinc/58/98/29/529589829.db2.gz AIFFKJLGWFLRGF-QFEZKATASA-N 0 0 384.306 6.885 40 30 GKEBRN CCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409076644 529584959 /nfs/dbraw/zinc/58/49/59/529584959.db2.gz BHPRWHXUSJFIDZ-HTEZIOAISA-N 0 0 398.959 6.162 40 30 GKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)cc1 ZINC000408961680 529664790 /nfs/dbraw/zinc/66/47/90/529664790.db2.gz UNTUNSNRBCQLDS-QNGOZBTKSA-N 0 0 391.540 5.049 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 ZINC000408915944 529695644 /nfs/dbraw/zinc/69/56/44/529695644.db2.gz SEUADHGJCKIBFS-XQJJTOTJSA-N 0 0 396.512 5.112 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408916351 529695736 /nfs/dbraw/zinc/69/57/36/529695736.db2.gz WNZBISBEYNUOOQ-WOMVOQODSA-N 0 0 376.525 5.954 40 30 GKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2Cl)c1C ZINC000408960258 529733681 /nfs/dbraw/zinc/73/36/81/529733681.db2.gz KIWPBMLYSRUGOX-MXAYSNPKSA-N 0 0 385.338 7.022 40 30 GKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2Br)c1C ZINC000408959718 529733750 /nfs/dbraw/zinc/73/37/50/529733750.db2.gz DQPFQPFUUWCRMI-OYKKKHCWSA-N 0 0 395.344 6.478 40 30 GKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408959734 530039804 /nfs/dbraw/zinc/03/98/04/530039804.db2.gz DWOBCOWUKPYHPP-VXMHBOQLSA-N 0 0 397.931 5.174 40 30 GKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000006870639 209699304 /nfs/dbraw/zinc/69/93/04/209699304.db2.gz IFYPLERNANXBGL-SXGWCWSVSA-N 0 0 393.295 5.284 40 30 GKEBRN CC(C)CC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)/C=C\c1ccccc1)C(C)C ZINC000005707132 209611718 /nfs/dbraw/zinc/61/17/18/209611718.db2.gz GXELYPUYAMBBKI-XDGVYGEMSA-N 0 0 376.540 6.330 40 30 GKEBRN C=C1CC[C@H](O)C(C)(C)[C@H]1CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000033650959 291143294 /nfs/dbraw/zinc/14/32/94/291143294.db2.gz XXKXCRGLMFAXTK-JZUUYQROSA-N 0 0 382.500 5.252 40 30 biogenic,in-vitro GKEBRN CSc1ccccc1[C@H]1CCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001715749 209337302 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CC(C)c1ccc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)cc2c1 ZINC000035288888 204152091 /nfs/dbraw/zinc/15/20/91/204152091.db2.gz YRQWLUPJSHAJGJ-UHFFFAOYSA-N 0 0 379.460 5.100 40 30 GKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1c[nH]c2ccccc12 ZINC000005376629 204129429 /nfs/dbraw/zinc/12/94/29/204129429.db2.gz TZSGOLIPOVIGPX-FRKPEAEDSA-N 0 0 388.279 5.366 40 30 GKEBRN CCOc1ccc(-c2nc(N=NC3C[C@@H]4CC[C@@]3(C)C4(C)C)sc2C)cc1 ZINC000005475661 204135097 /nfs/dbraw/zinc/13/50/97/204135097.db2.gz YOKLJHCYODIKQE-NRIRNXJBSA-N 0 0 383.561 6.131 40 30 GKEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1 ZINC000005551072 204139316 /nfs/dbraw/zinc/13/93/16/204139316.db2.gz FHLPFAKOLQCINF-SXGWCWSVSA-N 0 0 393.295 5.284 40 30 GKEBRN CN1C=C/C(=C\c2c(C#N)c3nc4ccccc4n3c3ccccc23)c2ccccc21 ZINC000005611335 204142698 /nfs/dbraw/zinc/14/26/98/204142698.db2.gz CABKIINUNQCLMK-FBMGVBCBSA-N 0 0 398.469 6.016 40 30 GKEBRN N#Cc1ccccc1CSc1nnc(C(c2ccccc2)c2ccccc2)o1 ZINC000009199851 204302079 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CCOC(=O)c1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000004718829 205753251 /nfs/dbraw/zinc/75/32/51/205753251.db2.gz KKTPQRNLFXRYQU-WRHQLWEMSA-N 0 0 377.440 5.274 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12 ZINC000005481905 205768932 /nfs/dbraw/zinc/76/89/32/205768932.db2.gz MECHNRXZTMCUDQ-VRJASIGMSA-N 0 0 396.659 7.641 40 30 biogenic GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C ZINC000013813120 205892603 /nfs/dbraw/zinc/89/26/03/205892603.db2.gz QYSXJUFSXHHAJI-BHRDGNTDSA-N 0 0 384.648 7.619 40 30 GKEBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C#N)c1 ZINC000225751411 206072321 /nfs/dbraw/zinc/07/23/21/206072321.db2.gz JBAUWPVIJVYFQN-INIZCTEOSA-N 0 0 396.918 5.839 40 30 GKEBRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 ZINC000225752598 206072569 /nfs/dbraw/zinc/07/25/69/206072569.db2.gz UUQUCNRUNHFBLZ-UHFFFAOYSA-N 0 0 389.282 5.324 40 30 GKEBRN CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C#N 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N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1Cc1cccc2ccccc21 ZINC000225889149 206084071 /nfs/dbraw/zinc/08/40/71/206084071.db2.gz XICDBVWSQPIMDK-UHFFFAOYSA-N 0 0 389.911 5.948 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261527091 206184736 /nfs/dbraw/zinc/18/47/36/206184736.db2.gz ZCPUXKFMXQVKLS-GFCCVEGCSA-N 0 0 390.599 5.563 40 30 GKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1 ZINC000008320846 206244201 /nfs/dbraw/zinc/24/42/01/206244201.db2.gz LTJXHMPNOQHCDC-UHFFFAOYSA-N 0 0 385.920 5.297 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C ZINC000005380435 206229298 /nfs/dbraw/zinc/22/92/98/206229298.db2.gz QYSXJUFSXHHAJI-PAMMNBEHSA-N 0 0 384.648 7.619 40 30 GKEBRN C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219791897 206258369 /nfs/dbraw/zinc/25/83/69/206258369.db2.gz FXQJMDDNCJHUIB-FQEVSTJZSA-N 0 0 392.543 5.369 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000219808409 206258578 /nfs/dbraw/zinc/25/85/78/206258578.db2.gz BDHBFJDAAWNEHG-UHFFFAOYSA-N 0 0 394.540 5.233 40 30 GKEBRN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000005669478 211613829 /nfs/dbraw/zinc/61/38/29/211613829.db2.gz CJYMCEQOZJOYAD-VAWYXSNFSA-N 0 0 380.443 6.050 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C ZINC000090450379 206299171 /nfs/dbraw/zinc/29/91/71/206299171.db2.gz QYSXJUFSXHHAJI-FRIDHBBTSA-N 0 0 384.648 7.619 40 30 in-vitro GKEBRN COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl ZINC000001424030 206380562 /nfs/dbraw/zinc/38/05/62/206380562.db2.gz DFWJQGCNFNWSDG-ZMOGYAJESA-N 0 0 376.843 6.216 40 30 GKEBRN Clc1ccc2c(c1)C(=Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1-2 ZINC000001592343 206386923 /nfs/dbraw/zinc/38/69/23/206386923.db2.gz YQQSPWKOXXXCJM-UHFFFAOYSA-N 0 0 393.100 7.450 40 30 GKEBRN Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C ZINC000001223910 206368837 /nfs/dbraw/zinc/36/88/37/206368837.db2.gz PDXPPKMMJUGSRO-UHFFFAOYSA-N 0 0 392.509 5.142 40 30 aggregator GKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2C1 ZINC000001959685 206395600 /nfs/dbraw/zinc/39/56/00/206395600.db2.gz OOZSJLJJJNSWMP-ZPMKCOPCSA-N 0 0 391.323 5.703 40 30 GKEBRN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(C)c1Cl ZINC000001959808 206395918 /nfs/dbraw/zinc/39/59/18/206395918.db2.gz VXPZWQCLQKQEOW-LLVKDONJSA-N 0 0 388.920 5.032 40 30 GKEBRN COc1cccc(NC(=S)N/N=C(\C)c2ccc(C3CCCCC3)cc2)c1 ZINC000004871708 206564612 /nfs/dbraw/zinc/56/46/12/206564612.db2.gz KZZZLRCGQBOQNC-LFVJCYFKSA-N 0 0 381.545 5.454 40 30 GKEBRN CC/N=C1\S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1CC ZINC000005523084 206617473 /nfs/dbraw/zinc/61/74/73/206617473.db2.gz YANNDGZZTDGDJK-NVZUXIBTSA-N 0 0 388.577 5.299 40 30 GKEBRN CCCCCCCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1 ZINC000100934094 211394386 /nfs/dbraw/zinc/39/43/86/211394386.db2.gz LDYMXJZQOXKOPY-UHFFFAOYSA-N 0 0 396.571 7.117 40 30 GKEBRN C[C@@H]1CCc2c(c(C#N)c(S[C@H]3CCCCC3=O)nc2-c2ccccc2)C1 ZINC000095117613 211220070 /nfs/dbraw/zinc/22/00/70/211220070.db2.gz WQKZEWZCQGTVCD-VFNWGFHPSA-N 0 0 376.525 5.349 40 30 GKEBRN CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N ZINC000034791502 210665619 /nfs/dbraw/zinc/66/56/19/210665619.db2.gz JDRHCVYYTFUOJY-UHFFFAOYSA-N 0 0 389.524 5.325 40 30 GKEBRN N#Cc1c(NC(=O)c2ccco2)oc(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000019894521 207167736 /nfs/dbraw/zinc/16/77/36/207167736.db2.gz QSYXBMPEVQFEQU-UHFFFAOYSA-N 0 0 388.810 5.984 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000039348895 207331395 /nfs/dbraw/zinc/33/13/95/207331395.db2.gz FMYMXBRJEWJNNX-VHHOZFFRSA-N 0 0 384.648 7.597 40 30 GKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409247185 532953977 /nfs/dbraw/zinc/95/39/77/532953977.db2.gz CJAJHYIKSKSPKN-LGUFXXKBSA-N 0 0 386.495 6.228 40 30 GKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Br)c(C)c1 ZINC000409246816 532954337 /nfs/dbraw/zinc/95/43/37/532954337.db2.gz DVWDOQRLIFOAID-HYARGMPZSA-N 0 0 387.321 5.507 40 30 GKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409223942 532959068 /nfs/dbraw/zinc/95/90/68/532959068.db2.gz GSHQSTSJTGCPFP-XIEYBQDHSA-N 0 0 387.483 5.026 40 30 GKEBRN CCCCCCCCCCCCCCCCOc1ccc(C(=O)OCC)cc1 ZINC000081146231 208076471 /nfs/dbraw/zinc/07/64/71/208076471.db2.gz SBDHLOUYLJFYNQ-UHFFFAOYSA-N 0 0 390.608 7.723 40 30 GKEBRN CSc1ccccc1/N=C/c1ccc(-c2ccc(C)cc2Br)o1 ZINC000409242620 533030112 /nfs/dbraw/zinc/03/01/12/533030112.db2.gz XEVUBRCQTWCMOA-CIAFOILYSA-N 0 0 386.314 6.490 40 30 GKEBRN COc1ccc(Br)c(/C=N/c2cc(-c3ccccc3)ccc2O)c1O ZINC000100933687 208382546 /nfs/dbraw/zinc/38/25/46/208382546.db2.gz KGCKSSIEWITCDJ-WSDLNYQXSA-N 0 0 398.256 5.287 40 30 GKEBRN CCCCCCCCCC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1O ZINC000100925771 208383615 /nfs/dbraw/zinc/38/36/15/208383615.db2.gz KDNDUWXIYNZOTE-UHFFFAOYSA-N 0 0 389.536 5.107 40 30 GKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 ZINC000000898920 208485532 /nfs/dbraw/zinc/48/55/32/208485532.db2.gz UFMVJMPRCUZVSI-UHFFFAOYSA-N 0 0 381.888 5.108 40 30 GKEBRN COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccco1)C2 ZINC000020274795 210326311 /nfs/dbraw/zinc/32/63/11/210326311.db2.gz RQTHYXYXODOEIN-MYYSRTQBSA-N 0 0 386.451 5.268 40 30 GKEBRN Cc1c(C#N)n2ccccc2c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000005523798 208670706 /nfs/dbraw/zinc/67/07/06/208670706.db2.gz KGZLUMNBFDPSDF-LSFURLLWSA-N 0 0 377.662 5.526 40 30 GKEBRN N#Cc1c(/N=C/c2c(O)ccc3ccccc32)oc(-c2ccco2)c1-c1ccco1 ZINC000001513015 208710231 /nfs/dbraw/zinc/71/02/31/208710231.db2.gz HEYGEMVDTJYCDY-VULFUBBASA-N 0 0 394.386 6.281 40 30 GKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(Br)cc4)cc3)nc2c1 ZINC000003099218 220603464 /nfs/dbraw/zinc/60/34/64/220603464.db2.gz ONYVKTBAPKGXGR-YDZHTSKRSA-N 0 0 391.268 6.316 40 30 GKEBRN C[C@@H](C#N)OC(=O)c1c2ccccc2nc2c1C[C@@H](C)C/C2=C/c1ccccc1 ZINC000097653139 533162354 /nfs/dbraw/zinc/16/23/54/533162354.db2.gz JEXWBLFHMKTLOH-GJNQCVPDSA-N 0 0 382.463 5.427 40 30 GKEBRN Oc1ccc(/C=N/N=c2\scc(-c3ccccc3)n2CCc2ccccc2)cc1 ZINC000005736676 220896920 /nfs/dbraw/zinc/89/69/20/220896920.db2.gz XJKKRAVGQIHAOD-FOWVXNRSSA-N 0 0 399.519 5.100 40 30 GKEBRN CCc1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc1-c1cccs1 ZINC000016161209 221358250 /nfs/dbraw/zinc/35/82/50/221358250.db2.gz UNWZFQXLMPONPN-UHFFFAOYSA-N 0 0 398.940 5.873 40 30 GKEBRN COc1ccc(Br)c(/C=N\c2cc(-c3ccccc3)ccc2O)c1O ZINC000016215703 221359555 /nfs/dbraw/zinc/35/95/55/221359555.db2.gz KGCKSSIEWITCDJ-UUYOSTAYSA-N 0 0 398.256 5.287 40 30 GKEBRN CC1=Cc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C(C)(C)C1 ZINC000016607292 221366877 /nfs/dbraw/zinc/36/68/77/221366877.db2.gz ZTECTNWGAMZPEV-UHFFFAOYSA-N 0 0 382.294 6.071 40 30 GKEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1ccc(Br)cc1 ZINC000018082108 221387250 /nfs/dbraw/zinc/38/72/50/221387250.db2.gz DKQSXXDUZJNYDQ-WCWDXBQESA-N 0 0 396.292 5.807 40 30 GKEBRN c1ccc(/N=C2\S[C@@H](c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018089066 221387649 /nfs/dbraw/zinc/38/76/49/221387649.db2.gz KHYPIIHHYPGAMH-JQXYUCDVSA-N 0 0 388.580 6.433 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1C ZINC000408915996 533240185 /nfs/dbraw/zinc/24/01/85/533240185.db2.gz SUFAOSHBQIXXRB-GRUKXCDCSA-N 0 0 394.540 5.572 40 30 GKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000100349859 533250889 /nfs/dbraw/zinc/25/08/89/533250889.db2.gz XWKWJHPLVKGHMO-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409117862 533250979 /nfs/dbraw/zinc/25/09/79/533250979.db2.gz RGKXEXSUGDPHSJ-XKZIYDEJSA-N 0 0 398.871 6.159 40 30 GKEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(C(C)C)cc2)C1=O ZINC000059516324 533266561 /nfs/dbraw/zinc/26/65/61/533266561.db2.gz ZLUMKFWVUOLECA-HYARGMPZSA-N 0 0 389.495 5.304 40 30 GKEBRN COCCCN1C(=O)/C(=C/c2ccc(Cl)s2)S/C1=N\c1ccccc1 ZINC000408941423 533285678 /nfs/dbraw/zinc/28/56/78/533285678.db2.gz VTTYAMHMGUYGCQ-WOWDFQAJSA-N 0 0 392.933 5.042 40 30 GKEBRN COc1cccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)c1 ZINC000408978421 533389662 /nfs/dbraw/zinc/38/96/62/533389662.db2.gz ZQKUMPVVYQHZNY-FSJBWODESA-N 0 0 385.379 5.502 40 30 GKEBRN COc1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 ZINC000408805254 533390770 /nfs/dbraw/zinc/39/07/70/533390770.db2.gz FLOHAJHHWZQHTG-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O ZINC000008210695 533389861 /nfs/dbraw/zinc/38/98/61/533389861.db2.gz ZZESTWIFWFGOSG-FSJBWODESA-N 0 0 394.883 6.082 40 30 GKEBRN COc1cccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000408805257 533391244 /nfs/dbraw/zinc/39/12/44/533391244.db2.gz FMPROPOAVUKESC-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(C)cc1 ZINC000408588582 533482544 /nfs/dbraw/zinc/48/25/44/533482544.db2.gz BXTYTIJSQFYVHY-CVKSISIWSA-N 0 0 386.451 5.005 40 30 GKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 ZINC000409218377 533482770 /nfs/dbraw/zinc/48/27/70/533482770.db2.gz UTQWGOJDKGJVBY-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1 ZINC000409215917 533484218 /nfs/dbraw/zinc/48/42/18/533484218.db2.gz CCKQPXMORSXBHU-PSHHWHLWSA-N 0 0 382.529 5.539 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408862078 533607496 /nfs/dbraw/zinc/60/74/96/533607496.db2.gz IARFEJBQUWEFDR-RDLXWXJRSA-N 0 0 376.525 5.869 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000408847529 533608386 /nfs/dbraw/zinc/60/83/86/533608386.db2.gz NIPGJSLXMAQHAR-DGVHBWFKSA-N 0 0 394.515 6.008 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccn4)c3C)cc2)c1 ZINC000409232400 533677704 /nfs/dbraw/zinc/67/77/04/533677704.db2.gz OSTGJIAEOMGOOD-WPWMEQJKSA-N 0 0 397.478 6.041 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(OC)c(OC)cc3C)cc2)c1 ZINC000408548001 533677813 /nfs/dbraw/zinc/67/78/13/533677813.db2.gz BQHNOWSBXVKSSJ-BUVRLJJBSA-N 0 0 377.440 5.564 40 30 GKEBRN C=CCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1 ZINC000026770674 221646177 /nfs/dbraw/zinc/64/61/77/221646177.db2.gz STLFUJQHWAEJSW-ATJXCDBQSA-N 0 0 383.904 5.247 40 30 GKEBRN Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000069372824 222172486 /nfs/dbraw/zinc/17/24/86/222172486.db2.gz DSYKZZSJNICPPN-WMQCIHAUSA-N 0 0 376.475 5.365 40 30 GKEBRN CCOc1ccc(/N=C2\S[C@H](CC)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000101025084 222466082 /nfs/dbraw/zinc/46/60/82/222466082.db2.gz DPBABSUZZDFROO-LURZSEBBSA-N 0 0 384.501 5.030 40 30 GKEBRN COC(=O)c1cc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)ccc1Cl ZINC000408740689 533716360 /nfs/dbraw/zinc/71/63/60/533716360.db2.gz LTUWCNZWODKOIK-MXAYSNPKSA-N 0 0 394.902 5.902 40 30 GKEBRN Cc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)s1 ZINC000409298864 533741313 /nfs/dbraw/zinc/74/13/13/533741313.db2.gz PSNSIVXYDKNEAU-UHFFFAOYSA-N 0 0 385.448 5.062 40 30 GKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/c2oc(C)c(C)c2C#N)c1C ZINC000408592374 533830968 /nfs/dbraw/zinc/83/09/68/533830968.db2.gz XXGWMEOAFBNQCI-BHGWPJFGSA-N 0 0 381.863 5.588 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cccn1-c1cccc(Br)c1 ZINC000409017070 533836040 /nfs/dbraw/zinc/83/60/40/533836040.db2.gz DXHKUMONNYECCN-CIAFOILYSA-N 0 0 389.680 5.652 40 30 GKEBRN Cc1c(Cl)cccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409091564 533875610 /nfs/dbraw/zinc/87/56/10/533875610.db2.gz RKNVSGGIZFIXLX-VULFUBBASA-N 0 0 379.931 6.572 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)c(C)c1 ZINC000408931222 533950917 /nfs/dbraw/zinc/95/09/17/533950917.db2.gz IPJQPLLNCZVBBM-BRJLIKDPSA-N 0 0 382.410 5.218 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 ZINC000408742169 533952507 /nfs/dbraw/zinc/95/25/07/533952507.db2.gz NNRSTPBQRGXQKY-ZMOGYAJESA-N 0 0 396.874 5.293 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc43)c2C)c(C)c1 ZINC000408944009 533954552 /nfs/dbraw/zinc/95/45/52/533954552.db2.gz ZYQKCOMCJYTPNG-JVWAILMASA-N 0 0 396.490 6.093 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000408778327 533962893 /nfs/dbraw/zinc/96/28/93/533962893.db2.gz DPEBWAPCFDFNCR-WYMPLXKRSA-N 0 0 384.838 5.424 40 30 GKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408592598 534015013 /nfs/dbraw/zinc/01/50/13/534015013.db2.gz ZPVKMTYJWWSKQH-FOKLQQMPSA-N 0 0 398.297 5.723 40 30 GKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc(Cl)c1 ZINC000409063460 534015348 /nfs/dbraw/zinc/01/53/48/534015348.db2.gz LEEXCTOJFVEQGV-WSDLNYQXSA-N 0 0 380.904 5.803 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(C)c1C ZINC000409074495 534015527 /nfs/dbraw/zinc/01/55/27/534015527.db2.gz MDBVHMNGMPOHIP-KBKYJPHKSA-N 0 0 386.421 5.571 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409001196 534016313 /nfs/dbraw/zinc/01/63/13/534016313.db2.gz VHUXHFBXDIYBBH-AFUMVMLFSA-N 0 0 389.524 5.457 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408737654 534016385 /nfs/dbraw/zinc/01/63/85/534016385.db2.gz FWMOTQNLPBYPLF-ZVHZXABRSA-N 0 0 395.344 6.731 40 30 GKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116749 534016504 /nfs/dbraw/zinc/01/65/04/534016504.db2.gz BRBCSVRPZFKTRD-YZSQISJMSA-N 0 0 395.462 6.420 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc2ccccc2c1 ZINC000408596436 534016533 /nfs/dbraw/zinc/01/65/33/534016533.db2.gz ZELIKGUWLGZLPE-JVWAILMASA-N 0 0 379.463 5.670 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc2ccccc21 ZINC000408594093 534016683 /nfs/dbraw/zinc/01/66/83/534016683.db2.gz SCTDMUJMQCYUEZ-MFKUBSTISA-N 0 0 399.450 5.706 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966414 534017079 /nfs/dbraw/zinc/01/70/79/534017079.db2.gz LMPSUUKNJKQIAY-CVKSISIWSA-N 0 0 378.947 7.104 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cc(Cl)ccc1C ZINC000408595446 534017105 /nfs/dbraw/zinc/01/71/05/534017105.db2.gz WYELVWNKBKUKHP-DHRITJCHSA-N 0 0 377.875 5.478 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408739654 534017157 /nfs/dbraw/zinc/01/71/57/534017157.db2.gz YLZGXJZEYXSWEL-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741626 534017271 /nfs/dbraw/zinc/01/72/71/534017271.db2.gz REQFFKIQRWLQIU-ZMOGYAJESA-N 0 0 386.326 6.218 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408778473 534050114 /nfs/dbraw/zinc/05/01/14/534050114.db2.gz UZCSXTVIWLESRV-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Cl)c3)cc2)cc1 ZINC000408803717 534083313 /nfs/dbraw/zinc/08/33/13/534083313.db2.gz SNIAUTROWUMPCK-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)oc2cc1C ZINC000408628706 534128932 /nfs/dbraw/zinc/12/89/32/534128932.db2.gz WGXBVMIMGJNUMM-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408753766 534143083 /nfs/dbraw/zinc/14/30/83/534143083.db2.gz CKKLPSIADRJEPH-UHFFFAOYSA-N 0 0 396.273 5.864 40 30 GKEBRN CSc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 ZINC000408748796 534178835 /nfs/dbraw/zinc/17/88/35/534178835.db2.gz HQCSHPCYFLGYDN-OVCLIPMQSA-N 0 0 395.336 5.607 40 30 GKEBRN CSc1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000408735557 534181342 /nfs/dbraw/zinc/18/13/42/534181342.db2.gz SJJUNURJPMPHSB-OUBWWKSTSA-N 0 0 382.304 5.430 40 30 GKEBRN CSc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409294383 534196736 /nfs/dbraw/zinc/19/67/36/534196736.db2.gz AITNFYHGCGXFOU-UHFFFAOYSA-N 0 0 377.513 5.048 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408915922 534251865 /nfs/dbraw/zinc/25/18/65/534251865.db2.gz RVUMZNQURRFDNR-DBSKITMISA-N 0 0 394.515 6.071 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2C2CCCCC2)cc1 ZINC000408912860 534251888 /nfs/dbraw/zinc/25/18/88/534251888.db2.gz LZIRTBCMOLOAQQ-NVZLDUMVSA-N 0 0 392.524 5.637 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2CC(C)C)cc1 ZINC000408916018 534252073 /nfs/dbraw/zinc/25/20/73/534252073.db2.gz SXZKHSOYLBTDKD-AJQYZBQHSA-N 0 0 376.525 5.811 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl ZINC000409203246 534252149 /nfs/dbraw/zinc/25/21/49/534252149.db2.gz WECSVEHHIZPARY-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN COC(=O)c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409090746 534252921 /nfs/dbraw/zinc/25/29/21/534252921.db2.gz OGFUSGSUOTUPBQ-YSMPRRRNSA-N 0 0 389.495 5.397 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C#N)cc3)c3ccccc32)c1 ZINC000408544391 534267413 /nfs/dbraw/zinc/26/74/13/534267413.db2.gz VVWXXNMOWLWZED-JFLMPSFJSA-N 0 0 393.446 5.098 40 30 GKEBRN Brc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 ZINC000015441586 518209355 /nfs/dbraw/zinc/20/93/55/518209355.db2.gz CAJYEMGEECHNDU-HYARGMPZSA-N 0 0 376.257 5.514 40 30 GKEBRN c1sc(N=NCc2cccc(OCc3ccccc3)c2)nc1-c1ccccc1 ZINC000033377353 518376885 /nfs/dbraw/zinc/37/68/85/518376885.db2.gz MRZREOZKKIJMBM-BUVRLJJBSA-N 0 0 385.492 5.835 40 30 GKEBRN C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000100041517 518377744 /nfs/dbraw/zinc/37/77/44/518377744.db2.gz FEHMVYCMCCHJNH-DOJSKZQGSA-N 0 0 385.470 8.159 40 30 GKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCOCC2)o1 ZINC000009323597 518378303 /nfs/dbraw/zinc/37/83/03/518378303.db2.gz NFEREGYWEKAFKY-YZSQISJMSA-N 0 0 390.527 5.335 40 30 GKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100237732 518431435 /nfs/dbraw/zinc/43/14/35/518431435.db2.gz ZTWDWSYAOREHIN-JXXUREIGSA-N 0 0 375.859 6.954 40 30 GKEBRN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000013303314 518463246 /nfs/dbraw/zinc/46/32/46/518463246.db2.gz TWNCWYDLIUEASC-OGLMXYFKSA-N 0 0 382.442 5.786 40 30 GKEBRN C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1cc2ccccc2oc1=O ZINC000004957166 518464724 /nfs/dbraw/zinc/46/47/24/518464724.db2.gz OTNJTWXVHOWSBJ-BUVRLJJBSA-N 0 0 389.480 5.369 40 30 GKEBRN Cc1nc(C)c(-c2cnc(N=NC(C)c3ccc(Cl)c(Cl)c3)s2)s1 ZINC000005724587 518469238 /nfs/dbraw/zinc/46/92/38/518469238.db2.gz GSFJHTLSVUJGFZ-ODCIPOBUSA-N 0 0 397.356 6.026 40 30 GKEBRN C/C(CC(=O)c1ccccc1)=N\CCCCC/N=C(/C)CC(=O)c1ccccc1 ZINC000101811620 518474596 /nfs/dbraw/zinc/47/45/96/518474596.db2.gz FNNLPTYQRNVYRT-QRNPONQASA-N 0 0 390.527 5.625 40 30 GKEBRN C=C(C)COc1ccc2ccccc2c1-c1c(OCC(=C)C)ccc2ccccc21 ZINC000095611702 518616770 /nfs/dbraw/zinc/61/67/70/518616770.db2.gz CUVSWEUTWOPQAZ-UHFFFAOYSA-N 0 0 394.514 7.570 40 30 GKEBRN C=C(C)[C@@H](O)c1ccc2ccccc2c1-c1c2ccccc2ccc1[C@@H](O)C(=C)C ZINC000095611703 518642087 /nfs/dbraw/zinc/64/20/87/518642087.db2.gz QGBNOLZBSXSVGL-HNRBIFIRSA-N 0 0 394.514 6.879 40 30 GKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C)c1 ZINC000013306163 518830999 /nfs/dbraw/zinc/83/09/99/518830999.db2.gz BVBFJEPNPXOYFG-QHQVFXOCSA-N 0 0 393.537 5.155 40 30 GKEBRN C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000033329953 518834399 /nfs/dbraw/zinc/83/43/99/518834399.db2.gz CIWRGAYFVJSDPT-GXDHUFHOSA-N 0 0 393.942 5.471 40 30 GKEBRN C=CCOC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000226317732 518979710 /nfs/dbraw/zinc/97/97/10/518979710.db2.gz FZXYNKMVTYXKTH-UHFFFAOYSA-N 0 0 392.636 5.254 40 30 GKEBRN CC(C)(C)c1cc(/C=N\NC(=S)Nc2ccccc2)cc(C(C)(C)C)c1O ZINC000104094612 518991138 /nfs/dbraw/zinc/99/11/38/518991138.db2.gz QGSOWXMFJCBIBB-UCQKPKSFSA-N 0 0 383.561 5.308 40 30 GKEBRN C=CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000009197169 519004087 /nfs/dbraw/zinc/00/40/87/519004087.db2.gz GUPLXCSCEHLSEW-LSHDLFTRSA-N 0 0 399.705 5.344 40 30 GKEBRN C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(CC)cc3)N(C)C2=O)cc1 ZINC000100298325 519013771 /nfs/dbraw/zinc/01/37/71/519013771.db2.gz HJCCBIOUASZVDY-MPIQAULUSA-N 0 0 378.497 5.048 40 30 GKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(CCCC)cc3)NC2=O)cc1 ZINC000005551298 519015243 /nfs/dbraw/zinc/01/52/43/519015243.db2.gz VPRMRRIWEMTELD-PGMHBOJBSA-N 0 0 392.524 5.486 40 30 GKEBRN C=CCSC1=N/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)S1 ZINC000015017281 519075373 /nfs/dbraw/zinc/07/53/73/519075373.db2.gz QACJOBBJZVTBNL-VBKFSLOCSA-N 0 0 389.586 5.877 40 30 GKEBRN C=CCc1cc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC ZINC000224262722 519127344 /nfs/dbraw/zinc/12/73/44/519127344.db2.gz HBVMEASIMOSVET-HXUWFJFHSA-N 0 0 379.500 5.236 40 30 GKEBRN C=CCc1cccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c1O ZINC000102939089 519140882 /nfs/dbraw/zinc/14/08/82/519140882.db2.gz JRUNYVAFHOFNMU-MFKUBSTISA-N 0 0 375.855 5.756 40 30 GKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1 ZINC000010303632 519238646 /nfs/dbraw/zinc/23/86/46/519238646.db2.gz BXNGKHCSSGEHSS-UHFFFAOYSA-N 0 0 392.347 5.247 40 30 GKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850310 519245842 /nfs/dbraw/zinc/24/58/42/519245842.db2.gz QJUFTMYREHAJPP-OAHLLOKOSA-N 0 0 385.920 5.550 40 30 GKEBRN C=C[C@@H](C)c1cc(Cl)c(C)c(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000017379867 519293944 /nfs/dbraw/zinc/29/39/44/519293944.db2.gz ROEFQJMTTQIFFO-SNVBAGLBSA-N 0 0 380.227 5.719 40 30 GKEBRN CC(C)=CCC[C@]1(C)C/C(=N\NS(=O)(=O)c2ccc(C)cc2)CC(C)(C)C1 ZINC000098175185 519424790 /nfs/dbraw/zinc/42/47/90/519424790.db2.gz GMSTVADIOXUWFP-SXKPWUIASA-N 0 0 390.593 5.592 40 30 GKEBRN CC(C)N=Nc1nc2c(s1)c(C(F)(F)F)c(Br)cc2Cl ZINC000057327659 519446583 /nfs/dbraw/zinc/44/65/83/519446583.db2.gz QTSUHXFHSOOGRK-UHFFFAOYSA-N 0 0 386.624 5.539 40 30 GKEBRN CC(C)CC(=O)C1=C(N)C2=C(c3ccccc3)CC(c3ccccc3)=N[C@H]2S1 ZINC000095117475 519573709 /nfs/dbraw/zinc/57/37/09/519573709.db2.gz OTSZEYQCHPHPKW-QPPBQGQZSA-N 0 0 388.536 5.048 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000100657483 519645530 /nfs/dbraw/zinc/64/55/30/519645530.db2.gz QNTASHOAVRSLMD-SIWSWZRQSA-N 0 0 399.663 7.858 40 30 GKEBRN CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223568743 519709202 /nfs/dbraw/zinc/70/92/02/519709202.db2.gz BIGBHKINVCJJGZ-STPJHCLOSA-N 0 0 377.532 5.896 40 30 GKEBRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 ZINC000226324258 519825696 /nfs/dbraw/zinc/82/56/96/519825696.db2.gz LHTRLJFFJJYZCU-XEGCZZDHSA-N 0 0 390.523 5.957 40 30 GKEBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)/C(=C\c1ccccc1)C(=O)c1ccccc1 ZINC000036056605 519825937 /nfs/dbraw/zinc/82/59/37/519825937.db2.gz LHTRLJFFJJYZCU-AIXDHECCSA-N 0 0 390.523 5.957 40 30 GKEBRN CCCCCCC(=O)C[C@@H](SCCS)c1ccc(Cl)c(Cl)c1 ZINC000005497133 519949362 /nfs/dbraw/zinc/94/93/62/519949362.db2.gz FLVMMGCAVATZJZ-QGZVFWFLSA-N 0 0 379.418 6.627 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](C)CC(=O)N(C)C ZINC000104109709 519968100 /nfs/dbraw/zinc/96/81/00/519968100.db2.gz YPGHOOFZSDFRBX-CHHLAKQQSA-N 0 0 395.628 6.434 40 30 GKEBRN CCCCCCCCC(CCCCCCCC)(C(=O)OCC)C(=O)OCC ZINC000081162346 519975038 /nfs/dbraw/zinc/97/50/38/519975038.db2.gz GUYMNPYVUJHUIV-UHFFFAOYSA-N 0 0 384.601 6.600 40 30 GKEBRN CCCCCCCCCCCC(=O)O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000100302529 519984151 /nfs/dbraw/zinc/98/41/51/519984151.db2.gz NEDCSNDIXOFJGV-LJQANCHMSA-N 0 0 383.617 6.170 40 30 GKEBRN CCCCCCCCCCCC(=O)[C@@H](CCCCCCCCCC)C(=O)OC ZINC000100302350 519984424 /nfs/dbraw/zinc/98/44/24/519984424.db2.gz MPNOPEYAQGNQJY-HSZRJFAPSA-N 0 0 396.656 7.796 40 30 GKEBRN CCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000059662747 519987674 /nfs/dbraw/zinc/98/76/74/519987674.db2.gz SEFLUBQMKPHJHL-UHFFFAOYSA-N 0 0 385.552 5.554 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1F ZINC000101672605 519991999 /nfs/dbraw/zinc/99/19/99/519991999.db2.gz HKWHMEKCYXMJFO-UHFFFAOYSA-N 0 0 391.615 7.703 40 30 GKEBRN CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCO ZINC000059725649 519994913 /nfs/dbraw/zinc/99/49/13/519994913.db2.gz WFRQXTUCHBFZII-UHFFFAOYSA-N 0 0 397.688 7.307 40 30 in-vitro GKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000100061166 519998878 /nfs/dbraw/zinc/99/88/78/519998878.db2.gz YOJOBPFJSUFCNY-UHFFFAOYSA-N 0 0 395.031 7.943 40 30 GKEBRN CCCCCCCCCCCCCCOC(=O)[C@@H](N)[C@H](O)c1ccccc1 ZINC000100550846 520005382 /nfs/dbraw/zinc/00/53/82/520005382.db2.gz OIVGXPSRTPKUPQ-FCHUYYIVSA-N 0 0 377.569 5.292 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000100494991 520009818 /nfs/dbraw/zinc/00/98/18/520009818.db2.gz MXDNOMBKQJWJFU-UHFFFAOYSA-N 0 0 397.831 6.126 40 30 GKEBRN CCCCCCCCCCCCOc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000068562421 520012214 /nfs/dbraw/zinc/01/22/14/520012214.db2.gz LFTVMGCFOQJKGM-UHFFFAOYSA-N 0 0 378.509 5.560 40 30 GKEBRN CCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000100303680 520013494 /nfs/dbraw/zinc/01/34/94/520013494.db2.gz SWOHHTMHABHFNE-LJQANCHMSA-N 0 0 392.517 6.495 40 30 GKEBRN CCCCCCCCCCc1c(C)nc(Nc2ccc(Cl)cc2)[nH]c1=O ZINC000102241515 520025636 /nfs/dbraw/zinc/02/56/36/520025636.db2.gz NMVQDFYLTGBUCB-UHFFFAOYSA-N 0 0 375.944 6.159 40 30 GKEBRN CCCCCCCCCCc1nc2c(o1)C[C@H](C[C@@H](C)SCC)CC2=O ZINC000103007851 520028096 /nfs/dbraw/zinc/02/80/96/520028096.db2.gz XPMUBDVPBVNGDZ-QZTJIDSGSA-N 0 0 379.610 6.635 40 30 GKEBRN CCCCCCCCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCCCCCCCC ZINC000100744144 520039016 /nfs/dbraw/zinc/03/90/16/520039016.db2.gz WWNWIBTTWTVLMZ-VXKWHMMOSA-N 0 0 394.596 6.376 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(CC)=N/O)cc2)cc1 ZINC000059663654 520044261 /nfs/dbraw/zinc/04/42/61/520044261.db2.gz ZXNZYRFDYPMUPB-WJTDDFOZSA-N 0 0 397.515 6.233 40 30 GKEBRN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)N1CCN(C)CC1 ZINC000104109797 520047223 /nfs/dbraw/zinc/04/72/23/520047223.db2.gz NSJGDYUFCVUWFO-FGZHOGPDSA-N 0 0 380.617 5.009 40 30 GKEBRN CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21 ZINC000014208731 520051962 /nfs/dbraw/zinc/05/19/62/520051962.db2.gz QIXBOOVPFRZHQQ-UHFFFAOYSA-N 0 0 376.544 6.005 40 30 in-vitro GKEBRN CCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F ZINC000080784159 520062318 /nfs/dbraw/zinc/06/23/18/520062318.db2.gz HMZSTBKKRIYVGU-UHFFFAOYSA-N 0 0 385.567 7.750 40 30 GKEBRN Fc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409202130 534472765 /nfs/dbraw/zinc/47/27/65/534472765.db2.gz PBLXBTWEQZIXHQ-VEILYXNESA-N 0 0 397.449 6.948 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3C)c(C)c2s1 ZINC000072228577 520184684 /nfs/dbraw/zinc/18/46/84/520184684.db2.gz QPIYZYZIWSXFOI-OYKKKHCWSA-N 0 0 380.517 5.672 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(F)cc3)c(C)c2s1 ZINC000072228606 520184976 /nfs/dbraw/zinc/18/49/76/520184976.db2.gz IWXMSUJQRVCNRE-MSXFZWOLSA-N 0 0 384.480 5.502 40 30 GKEBRN CCCCCOC(=O)c1ccc(/N=C2/C(=O)Nc3c2c(Cl)ccc3C)cc1 ZINC000013903755 520230563 /nfs/dbraw/zinc/23/05/63/520230563.db2.gz XHVVENISXNKBGL-UHFFFAOYSA-N 0 0 384.863 5.068 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2/C=C/c1ccccc1 ZINC000033537265 520257518 /nfs/dbraw/zinc/25/75/18/520257518.db2.gz RPBXQTCDZNIFTF-ZHACJKMWSA-N 0 0 375.512 5.206 40 30 GKEBRN CCCOc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1OCC ZINC000032109280 520320669 /nfs/dbraw/zinc/32/06/69/520320669.db2.gz YGQDMJHSVMAIGC-CSKARUKUSA-N 0 0 389.289 5.533 40 30 GKEBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 ZINC000013404099 520682140 /nfs/dbraw/zinc/68/21/40/520682140.db2.gz UTUGYCPSXHQSSU-SHURGLIXSA-N 0 0 388.507 5.403 40 30 GKEBRN Fc1cccc(-c2ccc(/C=N\c3ccccc3I)o2)c1 ZINC000409017344 534511979 /nfs/dbraw/zinc/51/19/79/534511979.db2.gz ZCJABGPVNXFTEJ-JAIQZWGSSA-N 0 0 391.183 5.441 40 30 GKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(Cl)c1 ZINC000101764817 520801816 /nfs/dbraw/zinc/80/18/16/520801816.db2.gz OFHUNHYLXSHYJE-MSERELCXSA-N 0 0 382.891 5.492 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(Cl)c1 ZINC000101764856 520802672 /nfs/dbraw/zinc/80/26/72/520802672.db2.gz IEPGXNFALAFLIU-ZVZGQBRVSA-N 0 0 396.918 5.800 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(Cl)c1 ZINC000101764820 520802758 /nfs/dbraw/zinc/80/27/58/520802758.db2.gz OFHUNHYLXSHYJE-BZOSTUPMSA-N 0 0 382.891 5.492 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(C)c1 ZINC000101764875 520803366 /nfs/dbraw/zinc/80/33/66/520803366.db2.gz PPTBTHDPEDHAPX-XMSLFVONSA-N 0 0 376.500 5.455 40 30 GKEBRN Fc1cccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409100691 534519579 /nfs/dbraw/zinc/51/95/79/534519579.db2.gz WHDUNCVDHYKLAP-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN CCOc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000101764790 520858439 /nfs/dbraw/zinc/85/84/39/520858439.db2.gz NYNRNYMZNADYAA-MEFNAMQOSA-N 0 0 392.499 5.237 40 30 GKEBRN Cc1oc(/N=C/c2cccc(OCc3cccc4ccccc43)c2)c(C#N)c1C ZINC000409160742 534535461 /nfs/dbraw/zinc/53/54/61/534535461.db2.gz IRIZWJCQHGNVQS-JFLMPSFJSA-N 0 0 380.447 6.251 40 30 GKEBRN Cc1oc(/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C#N)c1C ZINC000409140763 534535628 /nfs/dbraw/zinc/53/56/28/534535628.db2.gz ILCRMADZOWDACY-OPEKNORGSA-N 0 0 399.277 6.405 40 30 GKEBRN Cc1oc(/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C#N)c1C ZINC000408956642 534536731 /nfs/dbraw/zinc/53/67/31/534536731.db2.gz RJXZGAGCEVZKPP-RPPGKUMJSA-N 0 0 387.870 6.175 40 30 GKEBRN Ic1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000408549917 534542253 /nfs/dbraw/zinc/54/22/53/534542253.db2.gz BMTUWQFBTKBXJC-KGENOOAVSA-N 0 0 399.231 5.834 40 30 GKEBRN CCOC(=O)c1c(C)c(C(C)=O)sc1N=Cc1c(O)ccc2ccccc21 ZINC000013126029 521387487 /nfs/dbraw/zinc/38/74/87/521387487.db2.gz SXYIZYLIGDAJOC-SSDVNMTOSA-N 0 0 381.453 5.045 40 30 GKEBRN Cc1cccc(-n2cccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c1C ZINC000408965380 534568358 /nfs/dbraw/zinc/56/83/58/534568358.db2.gz KZVLAHAFXSWCIA-DEDYPNTBSA-N 0 0 391.471 5.125 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C ZINC000409215802 534578302 /nfs/dbraw/zinc/57/83/02/534578302.db2.gz FLUQFWPNLSZMPX-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c1C ZINC000409212559 534579039 /nfs/dbraw/zinc/57/90/39/534579039.db2.gz QQXFPCDLTOADKB-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C ZINC000409208179 534580588 /nfs/dbraw/zinc/58/05/88/534580588.db2.gz BQPRMTBBZVACKM-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C ZINC000409217196 534580003 /nfs/dbraw/zinc/58/00/03/534580003.db2.gz TUPJVLUGHGLFQJ-XKZIYDEJSA-N 0 0 391.383 5.663 40 30 GKEBRN Cc1cccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000409202181 534580317 /nfs/dbraw/zinc/58/03/17/534580317.db2.gz PPQNQYBPUJFRKW-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](/C=C/c2ccccc2)S1 ZINC000026896839 521695262 /nfs/dbraw/zinc/69/52/62/521695262.db2.gz LDGWAQHMLXJDEE-KAUXGEHWSA-N 0 0 380.534 5.622 40 30 GKEBRN CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000017076827 521698671 /nfs/dbraw/zinc/69/86/71/521698671.db2.gz ZSCAJMSZMULFPM-NVTWWLNUSA-N 0 0 375.497 5.490 40 30 GKEBRN COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(N=NC(C)C)sc2c1C ZINC000072228747 521805953 /nfs/dbraw/zinc/80/59/53/521805953.db2.gz OVNATBSJNITZHN-UHFFFAOYSA-N 0 0 396.516 5.290 40 30 GKEBRN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000006215266 521835501 /nfs/dbraw/zinc/83/55/01/521835501.db2.gz RFOIDRRANMNQDM-ZVBGSRNCSA-N 0 0 392.311 5.880 40 30 GKEBRN Cc1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000408628873 534608743 /nfs/dbraw/zinc/60/87/43/534608743.db2.gz FXTITYGGJQCXPO-CSKARUKUSA-N 0 0 382.872 5.802 40 30 GKEBRN COc1cc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)ccc1O ZINC000001436296 521999211 /nfs/dbraw/zinc/99/92/11/521999211.db2.gz DPBHVUDFPSRJGR-DHRITJCHSA-N 0 0 387.357 5.963 40 30 GKEBRN CN(C)c1ccc(C=[NH+][N-]c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000033908903 522136717 /nfs/dbraw/zinc/13/67/17/522136717.db2.gz XURZNOALQJRHKN-ITYLOYPMSA-N 0 0 393.494 5.323 40 30 GKEBRN Clc1ccc(/N=C\c2ccccc2I)cc1Cl ZINC000408552402 534636457 /nfs/dbraw/zinc/63/64/57/534636457.db2.gz SVNIGUFAGICELU-IUXPMGMMSA-N 0 0 376.024 5.349 40 30 GKEBRN Clc1ccc(/N=C\c2cc(Br)c(Br)o2)c(Cl)c1 ZINC000408857638 534637067 /nfs/dbraw/zinc/63/70/67/534637067.db2.gz VMLXAOKQJBAIDI-BNCCVWRVSA-N 0 0 397.881 5.862 40 30 GKEBRN Clc1ccccc1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000408719593 534649173 /nfs/dbraw/zinc/64/91/73/534649173.db2.gz YLDSVJFQTCQGBZ-YDZHTSKRSA-N 0 0 393.899 5.975 40 30 GKEBRN CCn1cc(/C=C2/C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)C2=O)c(C)n1 ZINC000017079752 523305086 /nfs/dbraw/zinc/30/50/86/523305086.db2.gz VFYSTCQWVDOPQD-COVVVOSISA-N 0 0 390.527 5.036 40 30 GKEBRN N#CCOc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000409383007 534699877 /nfs/dbraw/zinc/69/98/77/534699877.db2.gz QKGLROVCZOGDSD-AFUMVMLFSA-N 0 0 383.363 5.324 40 30 GKEBRN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000013406620 523400695 /nfs/dbraw/zinc/40/06/95/523400695.db2.gz FXZNENPOJIKRBN-JYFOCSDGSA-N 0 0 384.431 5.210 40 30 GKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c(O)c1 ZINC000019894552 523454604 /nfs/dbraw/zinc/45/46/04/523454604.db2.gz JORHOOBWCJNPMS-BUVRLJJBSA-N 0 0 386.476 5.942 40 30 GKEBRN COc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl ZINC000102926288 523465978 /nfs/dbraw/zinc/46/59/78/523465978.db2.gz KWIVRKCHXYERDL-ZMOGYAJESA-N 0 0 399.277 6.005 40 30 GKEBRN CC[C@@H]1CS/C(=N/c2ccc(OC)cc2)N1Cc1ccc(Cl)cc1Cl ZINC000102898810 523520397 /nfs/dbraw/zinc/52/03/97/523520397.db2.gz HYPVLDZTANVWNU-UFIXSJTLSA-N 0 0 395.355 6.017 40 30 GKEBRN CCc1ccc(/C=N/c2ccc(/N=C/c3ccc(CC)cc3)c([N+](=O)[O-])c2)cc1 ZINC000102934888 523875764 /nfs/dbraw/zinc/87/57/64/523875764.db2.gz MAKQSDPAGZXVDP-ZZZAPRPPSA-N 0 0 385.467 6.221 40 30 GKEBRN CCc1ccc(C(=O)/C=C/N2CCC(=Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006555756 523876972 /nfs/dbraw/zinc/87/69/72/523876972.db2.gz ZRLRJIVKBDVXIX-DTQAZKPQSA-N 0 0 376.456 5.033 40 30 GKEBRN CCc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000100662135 523877215 /nfs/dbraw/zinc/87/72/15/523877215.db2.gz KLKIQGKLNRVMJF-FPLPWBNLSA-N 0 0 387.323 6.095 40 30 GKEBRN CN1c2ccccc2C(C)(C)/C1=C\C=C/C=C\C=C1C(=O)c2ccccc2C1=O ZINC000031870951 524034993 /nfs/dbraw/zinc/03/49/93/524034993.db2.gz MGZOKNHCACVLNG-KOLOXMTRSA-N 0 0 381.475 5.416 40 30 GKEBRN CN1c2ccccc2C(C)(C)/C1=C/C=C/C=C\C=C1C(=O)c2ccccc2C1=O ZINC000031870952 524035246 /nfs/dbraw/zinc/03/52/46/524035246.db2.gz MGZOKNHCACVLNG-NJFNNRMOSA-N 0 0 381.475 5.416 40 30 GKEBRN Cn1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408816992 534757274 /nfs/dbraw/zinc/75/72/74/534757274.db2.gz KLIYQCBWRXXCBL-AREMUKBSSA-N 0 0 378.475 6.005 40 30 GKEBRN C[C@@H](C/N=C/c1c(O)ccc2ccccc21)/N=C/c1c(O)ccc2ccccc21 ZINC000001435482 524308650 /nfs/dbraw/zinc/30/86/50/524308650.db2.gz YXRVDXKNVUCZDC-ZWSURVCOSA-N 0 0 382.463 5.331 40 30 GKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Cl)c1 ZINC000408748789 534782635 /nfs/dbraw/zinc/78/26/35/534782635.db2.gz HMAUSLZVSNRXED-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Cl)cc1 ZINC000408748243 534783456 /nfs/dbraw/zinc/78/34/56/534783456.db2.gz AQRMBWGPVAVXEW-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000009195148 524627697 /nfs/dbraw/zinc/62/76/97/524627697.db2.gz JPTZPSGDYGMJGB-DHRITJCHSA-N 0 0 399.321 6.005 40 30 GKEBRN COc1ccc(OC)c(-c2csc(N=NC(C)c3c(C)cc(C)cc3C)n2)c1 ZINC000105026126 524792638 /nfs/dbraw/zinc/79/26/38/524792638.db2.gz RPPKQQRCZNPDKS-LFVJCYFKSA-N 0 0 395.528 5.589 40 30 GKEBRN N#Cc1ccccc1CSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000122228115 534814274 /nfs/dbraw/zinc/81/42/74/534814274.db2.gz BSDLJADCIMCGMW-UHFFFAOYSA-N 0 0 392.267 5.119 40 30 GKEBRN Cc1cc(Cl)ccc1NN=C1c2cc(C(C)C)ccc2N(C2CSC2)C1=O ZINC000223728505 524890558 /nfs/dbraw/zinc/89/05/58/524890558.db2.gz TVXGTEKRIGPHTB-GFMRDNFCSA-N 0 0 399.947 5.050 40 30 GKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000409082304 534819257 /nfs/dbraw/zinc/81/92/57/534819257.db2.gz SECKMIKURJQFMM-KGENOOAVSA-N 0 0 389.838 5.264 40 30 GKEBRN Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000102947759 524986577 /nfs/dbraw/zinc/98/65/77/524986577.db2.gz JWUIFZQGRIDEPY-XTCLZLMSSA-N 0 0 389.886 5.956 40 30 GKEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cc(Cl)ccc1Cl ZINC000018208915 525030657 /nfs/dbraw/zinc/03/06/57/525030657.db2.gz YOLIPHNSVNCXLF-OCOZRVBESA-N 0 0 386.286 6.351 40 30 GKEBRN Cc1ccccc1/N=C(\c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000005589902 525041071 /nfs/dbraw/zinc/04/10/71/525041071.db2.gz NVQXWXDZFROXJK-BYYHNAKLSA-N 0 0 376.503 6.780 40 30 GKEBRN Cc1ccccc1/N=C/N(Sc1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000005756129 525042409 /nfs/dbraw/zinc/04/24/09/525042409.db2.gz VNWDRXRJOLQOIP-PXLXIMEGSA-N 0 0 377.469 6.085 40 30 GKEBRN Cc1ccccc1/N=C(\c1ccccc1)N(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000101545798 525042863 /nfs/dbraw/zinc/04/28/63/525042863.db2.gz JUJPMJVFSCAFIQ-CYYJNZCTSA-N 0 0 394.474 6.323 40 30 GKEBRN Cc1ccccc1[N-][NH+]=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000005571316 525219258 /nfs/dbraw/zinc/21/92/58/525219258.db2.gz NAHYTSQIFBGCMH-NHFJDJAPSA-N 0 0 377.491 6.911 40 30 GKEBRN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032114822 525331438 /nfs/dbraw/zinc/33/14/38/525331438.db2.gz KUJYMRMZWHYRID-KIBLKLHPSA-N 0 0 398.796 6.191 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000408915540 534848738 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527475573 /nfs/dbraw/zinc/47/55/73/527475573.db2.gz GWKVKURRRKYICY-JBASAIQMSA-N 0 0 398.509 7.562 40 30 GKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(F)cc2)sc2c1CCCC2 ZINC000018033512 527516270 /nfs/dbraw/zinc/51/62/70/527516270.db2.gz BOFGPELUCVCMGG-OYKKKHCWSA-N 0 0 384.520 5.579 40 30 GKEBRN C=C[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O ZINC000408964194 527553530 /nfs/dbraw/zinc/55/35/30/527553530.db2.gz BURQKDRRSMCLQT-DABDWFRDSA-N 0 0 380.513 5.267 40 30 GKEBRN O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000103836609 527588754 /nfs/dbraw/zinc/58/87/54/527588754.db2.gz OMZSQVCIIMLERE-CNHKJKLMSA-N 0 0 375.049 5.143 40 30 GKEBRN O=C(C=CNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000032100217 527597294 /nfs/dbraw/zinc/59/72/94/527597294.db2.gz MYKJECUQXYBJMC-OUKQBFOZSA-N 0 0 378.815 5.724 40 30 GKEBRN O=C(/C=C/c1ccccc1)C(C(=O)/C=C/c1ccccc1)=C1SCCS1 ZINC000068590849 527628656 /nfs/dbraw/zinc/62/86/56/527628656.db2.gz IIFGOXJKXNFCLT-PHEQNACWSA-N 0 0 378.518 5.243 40 30 GKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1 ZINC000017124079 527656072 /nfs/dbraw/zinc/65/60/72/527656072.db2.gz XHCZBACAIYODFH-KAMYIIQDSA-N 0 0 393.280 5.924 40 30 GKEBRN O=C(/N=C(/N=C(\c1ccccc1)N1CCCCC1)c1ccccc1)c1ccccc1 ZINC000017123565 527660216 /nfs/dbraw/zinc/66/02/16/527660216.db2.gz SYIHPIKZKVSORJ-XDRLXRPISA-N 0 0 395.506 5.206 40 30 GKEBRN O=C(/N=C1\c2ccccc2CN1c1ccc(SC(F)F)cc1)c1ccco1 ZINC000105216232 527662309 /nfs/dbraw/zinc/66/23/09/527662309.db2.gz ISMUQHIZBZDWLA-PTGBLXJZSA-N 0 0 384.407 5.202 40 30 GKEBRN FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)F)nn1-c1ccccc1 ZINC000095671189 527679577 /nfs/dbraw/zinc/67/95/77/527679577.db2.gz UODSQAMBNBPDIE-UHFFFAOYSA-N 0 0 380.185 5.181 40 30 GKEBRN FC(F)(F)c1cccc(C(F)(F)C(F)(F)c2cccc(C(F)(F)F)c2)c1 ZINC000095682194 527684861 /nfs/dbraw/zinc/68/48/61/527684861.db2.gz FZXKHINLRQLJNU-UHFFFAOYSA-N 0 0 390.220 6.608 40 30 GKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C#N)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932743 527705626 /nfs/dbraw/zinc/70/56/26/527705626.db2.gz IPBLIUKTZDRWCD-NXGVQJHJSA-N 0 0 395.675 8.168 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C#N)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932740 527706351 /nfs/dbraw/zinc/70/63/51/527706351.db2.gz IPBLIUKTZDRWCD-ICHHFUSPSA-N 0 0 395.675 8.168 40 30 GKEBRN CC1(C)OC=CC(=C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)O1 ZINC000095482128 527795609 /nfs/dbraw/zinc/79/56/09/527795609.db2.gz GLCPMQFIHVZXOG-UHFFFAOYSA-N 0 0 382.419 5.967 40 30 GKEBRN CCN(CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)c1ccccc1 ZINC000408546977 527929776 /nfs/dbraw/zinc/92/97/76/527929776.db2.gz HZHCLXWMIKXDKV-MRXNPFEDSA-N 0 0 395.572 5.236 40 30 GKEBRN CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(C(CC)=NOCC)C(=O)C2)c1C ZINC000299888842 527969142 /nfs/dbraw/zinc/96/91/42/527969142.db2.gz ZOGDSYNXUXQGHF-QGZVFWFLSA-N 0 0 399.531 5.656 40 30 GKEBRN CCN1c2ccccc2/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O ZINC000409116421 527996598 /nfs/dbraw/zinc/99/65/98/527996598.db2.gz IYNZNLHIKYUKDD-JCMHNJIXSA-N 0 0 380.447 5.044 40 30 GKEBRN CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408938451 528057624 /nfs/dbraw/zinc/05/76/24/528057624.db2.gz QSXUORRBUWYXHW-PXJUGDNGSA-N 0 0 392.546 7.387 40 30 GKEBRN CC(C)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408938449 528057932 /nfs/dbraw/zinc/05/79/32/528057932.db2.gz QSXUORRBUWYXHW-OSSRSXBGSA-N 0 0 392.546 7.387 40 30 GKEBRN CCOC(=O)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCC2 ZINC000059460186 528117564 /nfs/dbraw/zinc/11/75/64/528117564.db2.gz SXNPROPYMZLNPX-RGVLZGJSSA-N 0 0 392.318 5.317 40 30 GKEBRN CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2OCC)sc2c1CCCC2 ZINC000408812186 528117573 /nfs/dbraw/zinc/11/75/73/528117573.db2.gz CLIBQGLDJMFZMA-WSDLNYQXSA-N 0 0 391.920 5.606 40 30 GKEBRN CCOC(=O)c1c(/N=C\c2ccccc2O[C@@H](C)CC)sc2c1CCCC2 ZINC000408603416 528117692 /nfs/dbraw/zinc/11/76/92/528117692.db2.gz QRWGKRYRTMUZHV-DZIKBWIISA-N 0 0 385.529 5.732 40 30 GKEBRN CCCCCCCCCCCCC/C(=N\O)c1ccc(OCCCC)cc1O ZINC000100930280 528123084 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528123714 /nfs/dbraw/zinc/12/37/14/528123714.db2.gz OUJYTUMZHNDROL-UHFFFAOYSA-N 0 0 384.923 5.455 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1 ZINC000408707395 528124086 /nfs/dbraw/zinc/12/40/86/528124086.db2.gz ADLSOBOOAMSXPB-UHFFFAOYSA-N 0 0 390.568 5.451 40 30 GKEBRN CCCCCCCCCCCCCCSCc1ccc(O)c2ncccc12 ZINC000100935870 528124113 /nfs/dbraw/zinc/12/41/13/528124113.db2.gz TVQXRYAJMBDSKF-UHFFFAOYSA-N 0 0 387.633 7.875 40 30 GKEBRN CCCCCCCCCCN(CCOCCO)C(=O)Nc1cccc(Cl)c1 ZINC000100934505 528125283 /nfs/dbraw/zinc/12/52/83/528125283.db2.gz NZVJKTWWDLUWHO-UHFFFAOYSA-N 0 0 398.975 5.324 40 30 GKEBRN CCCCCCCCCCCNC(=S)N/N=C/c1ccc(C(C)C)cc1 ZINC000100355474 528125342 /nfs/dbraw/zinc/12/53/42/528125342.db2.gz NFGGYSDADRDLMN-HKOYGPOVSA-N 0 0 375.626 6.139 40 30 GKEBRN CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409091796 528131432 /nfs/dbraw/zinc/13/14/32/528131432.db2.gz UVKWKVIWDYWQDN-YSGZUTGPSA-N 0 0 380.557 6.309 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000408588453 528133367 /nfs/dbraw/zinc/13/33/67/528133367.db2.gz WHHSIFNKOXIPOX-UHFFFAOYSA-N 0 0 394.342 6.985 40 30 GKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000105450171 528134125 /nfs/dbraw/zinc/13/41/25/528134125.db2.gz FTFBBCQGIRBDNP-JJIBRWJFSA-N 0 0 393.556 6.605 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O ZINC000105649235 528134534 /nfs/dbraw/zinc/13/45/34/528134534.db2.gz ZSBVIKHKOOCIPX-FXBPSFAMSA-N 0 0 377.484 5.689 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)ccc1Cl ZINC000113856288 528134649 /nfs/dbraw/zinc/13/46/49/528134649.db2.gz SAMSDTBYIQDVAY-FMIVXFBMSA-N 0 0 380.827 5.673 40 30 GKEBRN CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3Cl)NC2=O)cc1 ZINC000408604121 528143494 /nfs/dbraw/zinc/14/34/94/528143494.db2.gz SPLIVYAPRDUNGP-WQRHYEAKSA-N 0 0 386.904 5.266 40 30 GKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000011992847 528147327 /nfs/dbraw/zinc/14/73/27/528147327.db2.gz KXUITCUQERPRKR-XQNSMLJCSA-N 0 0 379.529 6.215 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908445 528163341 /nfs/dbraw/zinc/16/33/41/528163341.db2.gz DYRNODIWLWGWEW-QNQNADBQSA-N 0 0 396.512 5.026 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 ZINC000408909761 528163383 /nfs/dbraw/zinc/16/33/83/528163383.db2.gz HIMLRGRUPNLAEG-XGHAMVSDSA-N 0 0 396.512 5.026 40 30 GKEBRN CCCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408915983 528163489 /nfs/dbraw/zinc/16/34/89/528163489.db2.gz SRAPPVVYOWCNJN-INNVFMJMSA-N 0 0 388.895 5.802 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408907606 528163790 /nfs/dbraw/zinc/16/37/90/528163790.db2.gz BTZINMIDRPDOSR-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccc(C)cc1 ZINC000408910627 528163883 /nfs/dbraw/zinc/16/38/83/528163883.db2.gz ITROFEGKNLPLMC-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN CCOc1c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cccc1OC ZINC000409087094 528166619 /nfs/dbraw/zinc/16/66/19/528166619.db2.gz GGGXOWOYWYQLEJ-MMDHUZEPSA-N 0 0 396.556 5.929 40 30 GKEBRN CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000408604639 528180425 /nfs/dbraw/zinc/18/04/25/528180425.db2.gz VUSMDSAJQRJPJH-SJJYNHATSA-N 0 0 394.584 6.556 40 30 GKEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408582461 528184413 /nfs/dbraw/zinc/18/44/13/528184413.db2.gz OFVAGFRYYUKFDE-UHFFFAOYSA-N 0 0 388.423 5.010 40 30 GKEBRN CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)ccc1O ZINC000408910741 528195695 /nfs/dbraw/zinc/19/56/95/528195695.db2.gz XXUJKYQJSARECW-DYEBMTOPSA-N 0 0 396.512 5.032 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)cc1 ZINC000408768546 528195993 /nfs/dbraw/zinc/19/59/93/528195993.db2.gz XZUNUBOGFBBJJN-WGOQTCKBSA-N 0 0 388.511 6.145 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000100216199 528196541 /nfs/dbraw/zinc/19/65/41/528196541.db2.gz OIXFQOBACQXRBO-JFLMPSFJSA-N 0 0 398.506 5.751 40 30 GKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCC ZINC000408918031 528200638 /nfs/dbraw/zinc/20/06/38/528200638.db2.gz FJLCVOYRBWONKI-UFFVCSGVSA-N 0 0 391.265 5.079 40 30 GKEBRN CCOc1cc(/C=N/c2ccc(C)c(-n3cccc3)c2)cc(Br)c1O ZINC000100344568 528201273 /nfs/dbraw/zinc/20/12/73/528201273.db2.gz KMKFVTISJXNMBO-LPYMAVHISA-N 0 0 399.288 5.403 40 30 GKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC ZINC000409084809 528201531 /nfs/dbraw/zinc/20/15/31/528201531.db2.gz YAWJWCIIIFEBSO-FRQJIFLKSA-N 0 0 396.556 5.929 40 30 GKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000169948144 528232926 /nfs/dbraw/zinc/23/29/26/528232926.db2.gz CQBIEUQQORMORR-UCQKPKSFSA-N 0 0 399.947 6.479 40 30 GKEBRN CCCCCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000011992243 528237265 /nfs/dbraw/zinc/23/72/65/528237265.db2.gz ATOJLEAZHYIJAD-HZHRSRAPSA-N 0 0 379.529 5.555 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)c1 ZINC000408967212 528246057 /nfs/dbraw/zinc/24/60/57/528246057.db2.gz QWMXXFOEGIINQD-DHRITJCHSA-N 0 0 398.865 5.814 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)c1 ZINC000409186524 528246644 /nfs/dbraw/zinc/24/66/44/528246644.db2.gz DGJXEUCATGWSAS-XYGWBWBKSA-N 0 0 390.483 5.420 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)c1 ZINC000408968812 528246666 /nfs/dbraw/zinc/24/66/66/528246666.db2.gz ZKBLPYOWHRMXKN-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)c1 ZINC000408968479 528246965 /nfs/dbraw/zinc/24/69/65/528246965.db2.gz ZIXNIRISHGVJDC-BUVRLJJBSA-N 0 0 392.524 5.743 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3cccc(OC)c3)cc1)OCO2 ZINC000409100166 528337689 /nfs/dbraw/zinc/33/76/89/528337689.db2.gz SURIXUMPGARIEI-OYKKKHCWSA-N 0 0 391.423 5.366 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 ZINC000409188057 528358553 /nfs/dbraw/zinc/35/85/53/528358553.db2.gz WQXUHSXGDOEORQ-TURZUDJPSA-N 0 0 394.518 6.910 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 ZINC000409187039 528358694 /nfs/dbraw/zinc/35/86/94/528358694.db2.gz LGHWTGTWNBEBTO-OEAKJJBVSA-N 0 0 397.316 6.006 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 ZINC000408915938 528369478 /nfs/dbraw/zinc/36/94/78/528369478.db2.gz SCQILBOMAWAVQE-QNQNADBQSA-N 0 0 380.513 5.406 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1 ZINC000408907875 528369848 /nfs/dbraw/zinc/36/98/48/528369848.db2.gz PSOPEAZOTZYNFW-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000408987412 528370113 /nfs/dbraw/zinc/37/01/13/528370113.db2.gz XMOPWANQFNNMSE-CJLVFECKSA-N 0 0 392.458 5.428 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 ZINC000408853574 528370269 /nfs/dbraw/zinc/37/02/69/528370269.db2.gz PSQKNJNHSAGWEG-MOSHPQCFSA-N 0 0 392.455 5.269 40 30 GKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408977311 528374170 /nfs/dbraw/zinc/37/41/70/528374170.db2.gz IBZJCCRZOUNBIC-PCLIKHOPSA-N 0 0 390.552 7.007 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943962 528374253 /nfs/dbraw/zinc/37/42/53/528374253.db2.gz SWEHTJWOVUMFOE-KSTBRFNRSA-N 0 0 394.518 6.662 40 30 GKEBRN CCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000408722401 528374263 /nfs/dbraw/zinc/37/42/63/528374263.db2.gz IEZUBVBWVPQIRZ-KOEQRZSOSA-N 0 0 384.504 6.626 40 30 GKEBRN CCOc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000408737414 528374507 /nfs/dbraw/zinc/37/45/07/528374507.db2.gz PKMNNGXCAMOCBX-NLRVBDNBSA-N 0 0 381.479 5.997 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943960 528374693 /nfs/dbraw/zinc/37/46/93/528374693.db2.gz SWEHTJWOVUMFOE-KFGBLUBXSA-N 0 0 394.518 6.662 40 30 GKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409216314 528374922 /nfs/dbraw/zinc/37/49/22/528374922.db2.gz GYEXFQILJKKVLB-HAHDFKILSA-N 0 0 376.412 5.323 40 30 GKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OC)c2)cc1 ZINC000006962115 528374979 /nfs/dbraw/zinc/37/49/79/528374979.db2.gz WOEYMQUEOBSDIY-UDWIEESQSA-N 0 0 378.266 5.006 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408916196 528450321 /nfs/dbraw/zinc/45/03/21/528450321.db2.gz VXYAFWYFOITQAE-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 ZINC000408954019 528483366 /nfs/dbraw/zinc/48/33/66/528483366.db2.gz RMTOFKWREOUAEB-XMHGGMMESA-N 0 0 380.513 5.274 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000408563544 528595592 /nfs/dbraw/zinc/59/55/92/528595592.db2.gz NAPWWOWRACQRCG-GJAOAPHZSA-N 0 0 375.516 7.203 40 30 GKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O ZINC000408876242 528624529 /nfs/dbraw/zinc/62/45/29/528624529.db2.gz ODIPCAYASYTFSD-MOSHPQCFSA-N 0 0 392.455 5.269 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 ZINC000408916186 528626139 /nfs/dbraw/zinc/62/61/39/528626139.db2.gz VTHOQYYJUHVPEH-QNQNADBQSA-N 0 0 380.513 5.406 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c1 ZINC000408914417 528626220 /nfs/dbraw/zinc/62/62/20/528626220.db2.gz NWWSTHYHXNTOJJ-OTKAWYOPSA-N 0 0 394.540 5.796 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408530648 528641188 /nfs/dbraw/zinc/64/11/88/528641188.db2.gz JZKHPLGBYKVUTR-PDGQHHTCSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1OCC ZINC000059566311 528641341 /nfs/dbraw/zinc/64/13/41/528641341.db2.gz ANGFQCPMKDKTLZ-VZUCSPMQSA-N 0 0 389.289 5.533 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1 ZINC000408907210 528641502 /nfs/dbraw/zinc/64/15/02/528641502.db2.gz ADDGNLDQWXKOAJ-OCIPIQTLSA-N 0 0 380.513 5.272 40 30 GKEBRN CCCCOc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 ZINC000408722092 528657381 /nfs/dbraw/zinc/65/73/81/528657381.db2.gz DITRQDHMAVDLNI-BUVRLJJBSA-N 0 0 392.524 5.847 40 30 GKEBRN CCCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408535118 528692003 /nfs/dbraw/zinc/69/20/03/528692003.db2.gz XZFQWYKSMPQBEH-PDGQHHTCSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 ZINC000409015522 528730424 /nfs/dbraw/zinc/73/04/24/528730424.db2.gz ZZGHWXRSGXACLB-NHFJDJAPSA-N 0 0 380.491 6.801 40 30 GKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O ZINC000408531411 528731302 /nfs/dbraw/zinc/73/13/02/528731302.db2.gz PTQBHMCEBWLHJX-QNGOZBTKSA-N 0 0 388.492 5.520 40 30 GKEBRN CCCOc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000408600958 528767691 /nfs/dbraw/zinc/76/76/91/528767691.db2.gz HTAFRLJOGROHPF-WZJLVRHISA-N 0 0 380.557 6.310 40 30 GKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O ZINC000408916058 528767977 /nfs/dbraw/zinc/76/79/77/528767977.db2.gz UHDKYDDPNNSGJV-RERTVAKNSA-N 0 0 394.540 5.662 40 30 GKEBRN CCCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c21 ZINC000409034455 528810132 /nfs/dbraw/zinc/81/01/32/528810132.db2.gz NWMTUQIOALKEOE-OVVQPSECSA-N 0 0 383.539 6.352 40 30 GKEBRN CC/N=C1\S/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)C(=O)N1CC ZINC000408851334 528829442 /nfs/dbraw/zinc/82/94/42/528829442.db2.gz BLSXAUFTADMPMX-YKQZMZHDSA-N 0 0 395.572 5.277 40 30 GKEBRN CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 ZINC000408620348 528909027 /nfs/dbraw/zinc/90/90/27/528909027.db2.gz IJJRYNUKTBKSBQ-NTCAYCPXSA-N 0 0 387.479 5.096 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409249607 528944233 /nfs/dbraw/zinc/94/42/33/528944233.db2.gz UVGPZODLENNDIW-UNKKAUCCSA-N 0 0 382.504 5.747 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1c(C)cccc1C ZINC000408912310 528944328 /nfs/dbraw/zinc/94/43/28/528944328.db2.gz PSEOTEQOOANCQI-SLHJDRLVSA-N 0 0 386.904 5.286 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccc(F)cc1 ZINC000409251292 528944445 /nfs/dbraw/zinc/94/44/45/528944445.db2.gz URSLENOZMIFGJQ-CKAZZZDQSA-N 0 0 390.867 5.112 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409241761 528944679 /nfs/dbraw/zinc/94/46/79/528944679.db2.gz YKHNTHQAVYSNHZ-WJGQKVTCSA-N 0 0 394.540 5.617 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409225768 528944698 /nfs/dbraw/zinc/94/46/98/528944698.db2.gz KYAFWWLQIYCTLV-LVKIEVKJSA-N 0 0 379.460 5.239 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409242429 528944797 /nfs/dbraw/zinc/94/47/97/528944797.db2.gz UWSHAKBNWOXZPO-NFVLHAOASA-N 0 0 392.455 5.710 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1cc(C)ccc1C ZINC000408913744 528944853 /nfs/dbraw/zinc/94/48/53/528944853.db2.gz UCPUOEJZNSNYQG-DSBFQLCGSA-N 0 0 388.895 5.720 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1c(C)cccc1C ZINC000408905475 528944921 /nfs/dbraw/zinc/94/49/21/528944921.db2.gz AOJNLNWZJMJMRR-WBCKRXDOSA-N 0 0 395.484 5.144 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409241731 528945606 /nfs/dbraw/zinc/94/56/06/528945606.db2.gz UHVWFOCQIUXTFT-CKAZZZDQSA-N 0 0 390.867 5.112 40 30 GKEBRN CCCCc1ccc(-n2c(C)cc(C=NNc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408910849 529016710 /nfs/dbraw/zinc/01/67/10/529016710.db2.gz LLDNYAVJLKLVKU-JLPGSUDCSA-N 0 0 390.487 5.791 40 30 GKEBRN CCCCc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000408857613 529019129 /nfs/dbraw/zinc/01/91/29/529019129.db2.gz OUDXNSIMIUGKIQ-KGENOOAVSA-N 0 0 375.310 5.736 40 30 GKEBRN CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Br)cc3)cc2OC1 ZINC000225371883 529135139 /nfs/dbraw/zinc/13/51/39/529135139.db2.gz RDRBJWVQCHWFFY-WEVVVXLNSA-N 0 0 387.273 5.143 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)cc2)cc1OC ZINC000409375874 529186423 /nfs/dbraw/zinc/18/64/23/529186423.db2.gz QGYAOESEZCYXFO-OVMKCGGTSA-N 0 0 396.712 6.039 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(C(=O)OC)ccc2C)cc1OC ZINC000409378140 529186433 /nfs/dbraw/zinc/18/64/33/529186433.db2.gz MMBGJUMTBPJWNF-XMTZNVEYSA-N 0 0 389.879 5.372 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000409375417 529186543 /nfs/dbraw/zinc/18/65/43/529186543.db2.gz KLWNHVMCJALPBH-PUFAJPFRSA-N 0 0 376.840 5.493 40 30 GKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408967284 529191788 /nfs/dbraw/zinc/19/17/88/529191788.db2.gz UJROSRVRAPBWFP-NPRIEWAGSA-N 0 0 396.512 5.073 40 30 GKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc1Cl ZINC000409013538 529191994 /nfs/dbraw/zinc/19/19/94/529191994.db2.gz BDVYRZSPHXQNTQ-JHAVZTMOSA-N 0 0 380.271 5.708 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409090023 529273602 /nfs/dbraw/zinc/27/36/02/529273602.db2.gz ODDPHNKICIZIRL-XUANBZSPSA-N 0 0 379.956 7.755 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1 ZINC000408963039 529273946 /nfs/dbraw/zinc/27/39/46/529273946.db2.gz LTZWXJGFCQTNRQ-MKFNJMOCSA-N 0 0 379.241 5.261 40 30 GKEBRN CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000408962821 529284708 /nfs/dbraw/zinc/28/47/08/529284708.db2.gz JRIZZJAENPSAHA-PVGUKEHMSA-N 0 0 393.487 5.643 40 30 GKEBRN CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc21 ZINC000408966431 529284793 /nfs/dbraw/zinc/28/47/93/529284793.db2.gz OJPATFJXCCQMKZ-REIAIGDLSA-N 0 0 389.524 5.812 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408913520 529349977 /nfs/dbraw/zinc/34/99/77/529349977.db2.gz MUMWDRNNMJFOMF-QIZRFRSPSA-N 0 0 394.540 5.715 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223355320 570247133 /nfs/dbraw/zinc/24/71/33/570247133.db2.gz DNTLVJSKPFVIHG-KRWDZBQOSA-N 0 0 383.557 5.896 40 30 GKEBRN C=CCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccc(OCC)cc1 ZINC000016711407 570249815 /nfs/dbraw/zinc/24/98/15/570249815.db2.gz LFPSFXPOOINERJ-IZHYLOQSSA-N 0 0 386.520 6.187 40 30 GKEBRN C=C(C)Cc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)C)c2)ccc1O ZINC000001677712 570252017 /nfs/dbraw/zinc/25/20/17/570252017.db2.gz WQKVOILCLLTXIZ-ZEQRLZLVSA-N 0 0 378.556 7.022 40 30 GKEBRN N#Cc1c(N)c2nc3c(Cl)cccc3nc2c(-c2ccc(Cl)cc2)c1Cl ZINC000198443969 570252893 /nfs/dbraw/zinc/25/28/93/570252893.db2.gz HAXLNXPSXAPILX-UHFFFAOYSA-N 0 0 399.668 5.864 40 30 GKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000208246665 570255337 /nfs/dbraw/zinc/25/53/37/570255337.db2.gz PMELABXPCSSTQY-AEOXGOBCSA-N 0 0 386.883 5.416 40 30 GKEBRN Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C ZINC000208214525 570255370 /nfs/dbraw/zinc/25/53/70/570255370.db2.gz AHZKAGFZOPQZLC-ZGWJWYQGSA-N 0 0 380.561 5.038 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)SC1=S ZINC000223539162 570260626 /nfs/dbraw/zinc/26/06/26/570260626.db2.gz ZLTQXZBCZYQZGB-HIXWQLQUSA-N 0 0 386.586 5.186 40 30 GKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000208460197 570260764 /nfs/dbraw/zinc/26/07/64/570260764.db2.gz CMNYDCSCXBVYCX-WSDLNYQXSA-N 0 0 384.867 5.326 40 30 GKEBRN CCN(CC)c1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1 ZINC000001441349 570263157 /nfs/dbraw/zinc/26/31/57/570263157.db2.gz KUROJJZWNBRSBA-XMMPIXPASA-N 0 0 397.522 5.646 40 30 GKEBRN CCCCCCCCCOC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 ZINC000001593455 570265710 /nfs/dbraw/zinc/26/57/10/570265710.db2.gz NDLYVNZQECWOJK-QFIPXVFZSA-N 0 0 381.516 6.667 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@H]2c1ccccc1Cl ZINC000001639279 570266364 /nfs/dbraw/zinc/26/63/64/570266364.db2.gz VNMFPHPGMWWBLM-LJQANCHMSA-N 0 0 384.903 5.740 40 30 GKEBRN CCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1 ZINC000001752985 570267869 /nfs/dbraw/zinc/26/78/69/570267869.db2.gz UQGZWEHINXGSQX-UHFFFAOYSA-N 0 0 385.371 5.403 40 30 GKEBRN C[C@@H]1C/C(=N\NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 ZINC000005834974 570274106 /nfs/dbraw/zinc/27/41/06/570274106.db2.gz CPWRAWFFVIGDHR-KLVGSPFWSA-N 0 0 391.890 5.847 40 30 GKEBRN CCCc1ccc(CN2CCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295273 570275265 /nfs/dbraw/zinc/27/52/65/570275265.db2.gz SJRCHNKCNFTRJB-IBGZPJMESA-N 0 0 393.516 5.036 40 30 GKEBRN CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCCCC ZINC000060292153 570279261 /nfs/dbraw/zinc/27/92/61/570279261.db2.gz NPRJSFWNFTXXQC-GWGOZDFZSA-N 0 0 397.644 5.662 40 30 GKEBRN c1ccc2sc(=NN=C3c4ccccc4-c4nc5ccccc5nc43)[nH]c2c1 ZINC000100969565 570280048 /nfs/dbraw/zinc/28/00/48/570280048.db2.gz QBXQRIXCLCOYDG-LHLOQNFPSA-N 0 0 379.448 5.084 40 30 GKEBRN Cc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c(C)c1 ZINC000035289277 570280959 /nfs/dbraw/zinc/28/09/59/570280959.db2.gz UWADIKGSTLANFK-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020761711 570282256 /nfs/dbraw/zinc/28/22/56/570282256.db2.gz VAJWVITVNPUUSO-FSJBWODESA-N 0 0 375.255 5.386 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc3ccccc32)c1C ZINC000020762457 570282525 /nfs/dbraw/zinc/28/25/25/570282525.db2.gz QTDBOQLGNDJRQW-WPWMEQJKSA-N 0 0 383.495 5.380 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000020762553 570282541 /nfs/dbraw/zinc/28/25/41/570282541.db2.gz YBHDOKKKADLHNV-AFUMVMLFSA-N 0 0 381.907 5.188 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020762803 570282562 /nfs/dbraw/zinc/28/25/62/570282562.db2.gz OQUANJOPRVAAKT-CVKSISIWSA-N 0 0 394.902 5.360 40 30 GKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000020762232 570282571 /nfs/dbraw/zinc/28/25/71/570282571.db2.gz PSJXEIJTFCCJDV-ZVHZXABRSA-N 0 0 380.875 5.051 40 30 GKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000020762549 570282574 /nfs/dbraw/zinc/28/25/74/570282574.db2.gz PDKGDCPGSCCOHM-AFUMVMLFSA-N 0 0 381.907 5.188 40 30 GKEBRN Brc1ccc(/N=C/c2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000021554572 570292245 /nfs/dbraw/zinc/29/22/45/570292245.db2.gz LGFPOJUJUHJCBZ-HZHRSRAPSA-N 0 0 394.316 5.738 40 30 GKEBRN O=C(Nc1ccccc1)Oc1ccc(/C=N\Sc2cccc([N+](=O)[O-])c2)cc1 ZINC000104191042 570298843 /nfs/dbraw/zinc/29/88/43/570298843.db2.gz GTEIUCQTEBXUQR-STZFKDTASA-N 0 0 393.424 5.332 40 30 GKEBRN Cc1ccc(/C(N=S(c2ccccc2)c2ccccc2)=N\c2ccccc2)cc1 ZINC000104204330 570299078 /nfs/dbraw/zinc/29/90/78/570299078.db2.gz DOSYZPWPZZNCRS-CYYJNZCTSA-N 0 0 394.543 6.993 40 30 GKEBRN CCCCCCCCCCCCCC1=NC[C@H](c2ccc3ccccc3c2)O1 ZINC000104256070 570300155 /nfs/dbraw/zinc/30/01/55/570300155.db2.gz XRBJGOFGCKTRER-RUZDIDTESA-N 0 0 379.588 8.011 40 30 GKEBRN CCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000104257020 570300272 /nfs/dbraw/zinc/30/02/72/570300272.db2.gz BMUUTFIKYMLAHY-UHFFFAOYSA-N 0 0 380.528 6.610 40 30 GKEBRN CCCCCCCCCCCCCCCCc1c(C(=O)OC)nc(N)[nH]c1=O ZINC000104274650 570300618 /nfs/dbraw/zinc/30/06/18/570300618.db2.gz LDSUYMPYWJKXSP-UHFFFAOYSA-N 0 0 393.572 5.575 40 30 GKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1OC ZINC000104358998 570301920 /nfs/dbraw/zinc/30/19/20/570301920.db2.gz GNWSCZVFICFGJT-UHFFFAOYSA-N 0 0 390.612 7.298 40 30 GKEBRN CCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)c(Cl)c1 ZINC000104364176 570301977 /nfs/dbraw/zinc/30/19/77/570301977.db2.gz FZGLRFAINISFGU-LHLOQNFPSA-N 0 0 398.462 8.894 40 30 GKEBRN C/C=C(C)\C=N\NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376658 570302140 /nfs/dbraw/zinc/30/21/40/570302140.db2.gz ZVKYLBOYIWAGJU-RCNUMLTRSA-N 0 0 381.674 6.884 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1cc(Cl)ccc1O ZINC000104373364 570302159 /nfs/dbraw/zinc/30/21/59/570302159.db2.gz AHKMBBXJICQCGO-KQWNVCNZSA-N 0 0 398.016 5.765 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1[N+](=O)[O-] ZINC000104373401 570302297 /nfs/dbraw/zinc/30/22/97/570302297.db2.gz WZRZSLPSULMURH-XLNRJJMWSA-N 0 0 392.569 5.314 40 30 GKEBRN Cc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 ZINC000104809914 570303575 /nfs/dbraw/zinc/30/35/75/570303575.db2.gz UWOQRXWIIYXTTO-BUHFOSPRSA-N 0 0 394.561 5.932 40 30 GKEBRN COc1ccc(N=CC=C(Nc2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 ZINC000104846507 570303870 /nfs/dbraw/zinc/30/38/70/570303870.db2.gz TWARHCROYGEYOZ-DDDAEUOASA-N 0 0 392.886 6.213 40 30 GKEBRN CCCCCCCCCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000105646358 570305304 /nfs/dbraw/zinc/30/53/04/570305304.db2.gz GOTCIRMAMWRFGI-UHFFFAOYSA-N 0 0 392.543 7.354 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208256813 570309800 /nfs/dbraw/zinc/30/98/00/570309800.db2.gz AEMKNKUKQZEZAS-CHROMADKSA-N 0 0 390.936 5.284 40 30 GKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c(C)c1 ZINC000004849083 570318611 /nfs/dbraw/zinc/31/86/11/570318611.db2.gz YGRCLYWFDMHXMV-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CCc1ccccc1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N ZINC000004849079 570318650 /nfs/dbraw/zinc/31/86/50/570318650.db2.gz CFEQPYLTNSMKMQ-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN CCCCCCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OCC ZINC000584908953 570319428 /nfs/dbraw/zinc/31/94/28/570319428.db2.gz IIMWZRCCMNNCLQ-OAQYLSRUSA-N 0 0 378.553 5.838 40 30 biogenic,in-vitro GKEBRN C=CCO[C@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)c2cc(C)ccc21 ZINC000585105629 570319709 /nfs/dbraw/zinc/31/97/09/570319709.db2.gz KPXSWFNILVWTFZ-QHCPKHFHSA-N 0 0 375.512 5.125 40 30 GKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3F)c(C#N)cc2c1 ZINC000035316019 570323425 /nfs/dbraw/zinc/32/34/25/570323425.db2.gz ANYVOFXPGBIXTO-UHFFFAOYSA-N 0 0 379.460 5.100 40 30 GKEBRN COc1ccc(C(=NSc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000003066036 570327569 /nfs/dbraw/zinc/32/75/69/570327569.db2.gz NYFAAWGOHZOMFF-UHFFFAOYSA-N 0 0 394.452 5.157 40 30 GKEBRN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000003162687 570331153 /nfs/dbraw/zinc/33/11/53/570331153.db2.gz PLTUGVPAWOJUBP-MFKUBSTISA-N 0 0 399.450 6.451 40 30 GKEBRN CCOc1ccc(C(=O)CC[C@H]2CCC(c3ccc(OCC)cc3)=CC2=O)cc1 ZINC000003195459 570332514 /nfs/dbraw/zinc/33/25/14/570332514.db2.gz BGFRADOFOSVVHD-HXUWFJFHSA-N 0 0 392.495 5.510 40 30 GKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=C3C(=O)c4ccccc4C3=O)cc21 ZINC000113778142 570333884 /nfs/dbraw/zinc/33/38/84/570333884.db2.gz VHLHXMDGWYEYJB-ZDUSSCGKSA-N 0 0 379.887 5.525 40 30 GKEBRN CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc(Br)c2O)c1 ZINC000006396793 570341110 /nfs/dbraw/zinc/34/11/10/570341110.db2.gz XNHONGIAMXTDSR-CIAFOILYSA-N 0 0 389.293 5.342 40 30 GKEBRN N#Cc1c(NC(=O)/C=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000004853912 570348078 /nfs/dbraw/zinc/34/80/78/570348078.db2.gz BLCUTXQRKNXCIH-WUKNDPDISA-N 0 0 390.442 6.137 40 30 GKEBRN Cc1sc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C ZINC000408629018 570348762 /nfs/dbraw/zinc/34/87/62/570348762.db2.gz HZMREVXZXMRTTC-UHFFFAOYSA-N 0 0 391.279 6.056 40 30 GKEBRN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000408629177 570348928 /nfs/dbraw/zinc/34/89/28/570348928.db2.gz OCOKWLZDFXQJOD-AWEZNQCLSA-N 0 0 386.948 5.985 40 30 GKEBRN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000408629187 570348950 /nfs/dbraw/zinc/34/89/50/570348950.db2.gz OQRHCKZOXBMEJQ-HNNXBMFYSA-N 0 0 382.529 5.097 40 30 GKEBRN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000408629188 570348959 /nfs/dbraw/zinc/34/89/59/570348959.db2.gz OQRHCKZOXBMEJQ-OAHLLOKOSA-N 0 0 382.529 5.097 40 30 GKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)C#CCl)[C@@H]3CC[C@@]2(C)C1 ZINC000003843622 570351473 /nfs/dbraw/zinc/35/14/73/570351473.db2.gz FNGHATOLMPZLFG-XYSHCKNMSA-N 0 0 388.979 6.231 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC(=C1Nc3ccccc3N1)C2=O ZINC000118917017 570352083 /nfs/dbraw/zinc/35/20/83/570352083.db2.gz LSAJYPFOWSXELJ-JSWGMPQBSA-N 0 0 390.571 6.347 40 30 GKEBRN O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1 ZINC000006269533 570353969 /nfs/dbraw/zinc/35/39/69/570353969.db2.gz JBHFXWSEIGJYKW-DYTRJAOYSA-N 0 0 375.471 7.053 40 30 GKEBRN N#Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000006282339 570360193 /nfs/dbraw/zinc/36/01/93/570360193.db2.gz JLQPPAWFCWVGRJ-UHFFFAOYSA-N 0 0 388.492 5.330 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 ZINC000004292925 570365722 /nfs/dbraw/zinc/36/57/22/570365722.db2.gz IXRFWZFRWRUPEP-FRSCJGFNSA-N 0 0 378.556 6.104 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(F)cc1)C2=O ZINC000118916307 570367353 /nfs/dbraw/zinc/36/73/53/570367353.db2.gz ZEZJMEPOMUWRBS-MOLOORIASA-N 0 0 394.530 5.712 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C ZINC000118927803 570368340 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O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000408975557 231140155 /nfs/dbraw/zinc/14/01/55/231140155.db2.gz MZTVLJVHYLLPRI-ODLFYWEKSA-N 0 0 380.385 5.017 40 30 GKEBRN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408976528 231140168 /nfs/dbraw/zinc/14/01/68/231140168.db2.gz FWRVJZXCEXXVLN-OEAKJJBVSA-N 0 0 391.496 6.517 40 30 GKEBRN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000408977513 231140416 /nfs/dbraw/zinc/14/04/16/231140416.db2.gz WDQYHDAPOPCAKE-ODLFYWEKSA-N 0 0 380.385 5.017 40 30 GKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1\Sc2ccccc2C1=O ZINC000408995912 231143542 /nfs/dbraw/zinc/14/35/42/231143542.db2.gz BZDCUTVREJXSFE-UCQKPKSFSA-N 0 0 382.488 5.972 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 ZINC000408994241 231143810 /nfs/dbraw/zinc/14/38/10/231143810.db2.gz YLBGFLFJGWGNLT-VBKFSLOCSA-N 0 0 393.493 5.026 40 30 GKEBRN COCc1cc(C)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000408998045 231145075 /nfs/dbraw/zinc/14/50/75/231145075.db2.gz HTQJLENPIICMQZ-UHFFFAOYSA-N 0 0 388.492 5.050 40 30 GKEBRN CCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 ZINC000409035876 231149274 /nfs/dbraw/zinc/14/92/74/231149274.db2.gz UOABYFGDXBPAGL-JAHAZDFLSA-N 0 0 381.348 5.420 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000409043320 231150928 /nfs/dbraw/zinc/15/09/28/231150928.db2.gz YXVDGONDZYARPP-FINSYCMTSA-N 0 0 388.670 5.314 40 30 GKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1-c1ccccc1 ZINC000409054897 231151927 /nfs/dbraw/zinc/15/19/27/231151927.db2.gz WEZIQZSUMWSZEO-RWEWTDSWSA-N 0 0 397.499 6.219 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)cc2O)sc2c1CCCC2 ZINC000408915702 231130268 /nfs/dbraw/zinc/13/02/68/231130268.db2.gz QPRAVHYKEJBGOU-YDZHTSKRSA-N 0 0 392.480 5.041 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000408912712 231130309 /nfs/dbraw/zinc/13/03/09/231130309.db2.gz RSGXWDSSVXPEAD-JMIUGGIZSA-N 0 0 376.199 5.608 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000408930684 231132312 /nfs/dbraw/zinc/13/23/12/231132312.db2.gz AQRSSJXAZYKFIR-YZSQISJMSA-N 0 0 387.527 5.298 40 30 GKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408931017 231133152 /nfs/dbraw/zinc/13/31/52/231133152.db2.gz GDAVYBGBULNGPQ-YZSQISJMSA-N 0 0 387.527 5.298 40 30 GKEBRN FC(F)(F)c1ccc(N=NCc2cccn2-c2cccc(C(F)(F)F)c2)nc1 ZINC000408931871 231133199 /nfs/dbraw/zinc/13/31/99/231133199.db2.gz RJMOGQRRZVABJE-RAWMCFOBSA-N 0 0 398.310 5.356 40 30 GKEBRN Cc1cccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000408932048 231133394 /nfs/dbraw/zinc/13/33/94/231133394.db2.gz SLVLJUFZOGUINS-NLRVBDNBSA-N 0 0 386.495 5.161 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408950261 231134008 /nfs/dbraw/zinc/13/40/08/231134008.db2.gz MFAUKXANLQPCOH-KGNRGCGPSA-N 0 0 394.518 6.581 40 30 GKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408939424 231134187 /nfs/dbraw/zinc/13/41/87/231134187.db2.gz MLZDFEZCSWUXSD-KHGAEZDMSA-N 0 0 380.491 6.272 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409119215 231166495 /nfs/dbraw/zinc/16/64/95/231166495.db2.gz SCPSWCRTVYDVTJ-FYJGNVAPSA-N 0 0 383.860 5.845 40 30 GKEBRN Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000409122936 231166899 /nfs/dbraw/zinc/16/68/99/231166899.db2.gz CXDZGVIRQPEHFR-YZSQISJMSA-N 0 0 390.458 5.514 40 30 GKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)cc1 ZINC000409149022 231171790 /nfs/dbraw/zinc/17/17/90/231171790.db2.gz WALZMXXKAAIJMD-YZSQISJMSA-N 0 0 390.458 5.514 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O ZINC000409158320 231173082 /nfs/dbraw/zinc/17/30/82/231173082.db2.gz SMQYEDPLAKZGEB-LZYBPNLTSA-N 0 0 389.263 5.102 40 30 GKEBRN Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1C=NNc1ccccc1 ZINC000409063663 231153179 /nfs/dbraw/zinc/15/31/79/231153179.db2.gz AUVAKGARAKGBOT-BRJLIKDPSA-N 0 0 392.821 5.661 40 30 GKEBRN Fc1cnc(Cl)nc1Oc1cccc(C=NNc2nc3ccccc3s2)c1 ZINC000409062879 231153256 /nfs/dbraw/zinc/15/32/56/231153256.db2.gz CHJVGNMCDXRZLK-LSFURLLWSA-N 0 0 399.838 5.117 40 30 GKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1c(C)cccc1C ZINC000409063271 231153444 /nfs/dbraw/zinc/15/34/44/231153444.db2.gz JTHFBRNCLDNXFC-VULFUBBASA-N 0 0 387.552 6.274 40 30 GKEBRN Cc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1[N+](=O)[O-] ZINC000409067911 231153864 /nfs/dbraw/zinc/15/38/64/231153864.db2.gz RPJDQLGPWSFPMA-AUEPDCJTSA-N 0 0 390.321 5.023 40 30 GKEBRN Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c([N+](=O)[O-])c1 ZINC000409083136 231155899 /nfs/dbraw/zinc/15/58/99/231155899.db2.gz UWKDCPPNGNNFJL-AFUMVMLFSA-N 0 0 390.483 5.827 40 30 GKEBRN COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000409089513 231157027 /nfs/dbraw/zinc/15/70/27/231157027.db2.gz IVPLUWPKLWDOGX-KPQXCZDLSA-N 0 0 386.948 6.183 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(OCc2cccc3ccccc32)cc1 ZINC000409089065 231157117 /nfs/dbraw/zinc/15/71/17/231157117.db2.gz MUACJMFATHTYKZ-MFKUBSTISA-N 0 0 398.422 5.168 40 30 GKEBRN N#Cc1c(/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000409092131 231158449 /nfs/dbraw/zinc/15/84/49/231158449.db2.gz VMQBMMLRGCJASC-FSJBWODESA-N 0 0 398.940 6.647 40 30 GKEBRN Clc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3Cl)cc2)cc1 ZINC000409096347 231159316 /nfs/dbraw/zinc/15/93/16/231159316.db2.gz KUFAYYYZCKHYCE-FMCGGJTJSA-N 0 0 392.738 7.549 40 30 GKEBRN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)o1 ZINC000409095430 231159511 /nfs/dbraw/zinc/15/95/11/231159511.db2.gz HQEBPAQDXFJSGG-YSURURNPSA-N 0 0 379.769 5.768 40 30 GKEBRN FC(F)(F)c1ccc([N-][NH+]=Cc2ccc(N3CCCC3)c3ccccc23)nc1 ZINC000409100516 231159745 /nfs/dbraw/zinc/15/97/45/231159745.db2.gz UBQDJLMYWUMJKC-LGJNPRDNSA-N 0 0 384.405 5.300 40 30 GKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccccc1Sc1ccc(Cl)cc1 ZINC000409100003 231160137 /nfs/dbraw/zinc/16/01/37/231160137.db2.gz PBZXRAQJNHWORV-MTJSOVHGSA-N 0 0 384.848 5.240 40 30 GKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cccc(Cl)c1Cl ZINC000409101467 231160571 /nfs/dbraw/zinc/16/05/71/231160571.db2.gz YJUARGNTZJUJOR-UUYOSTAYSA-N 0 0 379.287 5.361 40 30 GKEBRN CCn1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000409106353 231161418 /nfs/dbraw/zinc/16/14/18/231161418.db2.gz LMQQLINKRPEWJJ-LSHDLFTRSA-N 0 0 376.338 5.034 40 30 GKEBRN N#Cc1c(/N=C/c2ccc(Br)o2)oc(-c2ccco2)c1-c1ccco1 ZINC000409380118 231197246 /nfs/dbraw/zinc/19/72/46/231197246.db2.gz IKYJPWWSLBWWSU-UFFVCSGVSA-N 0 0 397.184 5.777 40 30 GKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000409174001 231174823 /nfs/dbraw/zinc/17/48/23/231174823.db2.gz PEMFGZVYCBICQI-LZYBPNLTSA-N 0 0 389.263 5.102 40 30 GKEBRN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000409178397 231175581 /nfs/dbraw/zinc/17/55/81/231175581.db2.gz HHGXOZNIKBBCIW-OUKQBFOZSA-N 0 0 383.278 6.546 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409201176 231179131 /nfs/dbraw/zinc/17/91/31/231179131.db2.gz KEGSKEZZCMALFC-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)cc1C ZINC000409203361 231179196 /nfs/dbraw/zinc/17/91/96/231179196.db2.gz XLJKJXAQRMYKKN-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409200901 231179338 /nfs/dbraw/zinc/17/93/38/231179338.db2.gz KGXSMNPGFZCNAQ-HZHRSRAPSA-N 0 0 379.481 5.130 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C ZINC000409202539 231179472 /nfs/dbraw/zinc/17/94/72/231179472.db2.gz RCNTXHXNJMYWCN-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 ZINC000409213640 231181094 /nfs/dbraw/zinc/18/10/94/231181094.db2.gz UFWOZGXXYJEUHJ-OGLMXYFKSA-N 0 0 379.503 7.095 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409209214 231181226 /nfs/dbraw/zinc/18/12/26/231181226.db2.gz GYGANAUOWIHCPU-OGLMXYFKSA-N 0 0 379.503 7.095 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000409213733 231181399 /nfs/dbraw/zinc/18/13/99/231181399.db2.gz SVEXACKDTMYXIB-SSDVNMTOSA-N 0 0 375.306 5.320 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Cl)c1 ZINC000409211945 231181656 /nfs/dbraw/zinc/18/16/56/231181656.db2.gz OUAJBJWQBGCMQM-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 ZINC000409215896 231181944 /nfs/dbraw/zinc/18/19/44/231181944.db2.gz GIAJRZILXPLJJV-OYKKKHCWSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1C ZINC000409215464 231182085 /nfs/dbraw/zinc/18/20/85/231182085.db2.gz ZJHGINVVXHAARA-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409218131 231182204 /nfs/dbraw/zinc/18/22/04/231182204.db2.gz HKJFIZZOZSXJNR-YDZHTSKRSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCC(=O)Nc1ccccc1 ZINC000409218597 231182277 /nfs/dbraw/zinc/18/22/77/231182277.db2.gz VZALMXUJPQFUSF-ZVHZXABRSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3)cc2Br)cc1 ZINC000409215932 231182460 /nfs/dbraw/zinc/18/24/60/231182460.db2.gz GREFSYDANDJNAI-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000409218093 231182515 /nfs/dbraw/zinc/18/25/15/231182515.db2.gz SOIPNZNCASRCBN-JVWAILMASA-N 0 0 385.894 7.131 40 30 GKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000409217826 231182533 /nfs/dbraw/zinc/18/25/33/231182533.db2.gz XBOOQLVXWRUWGU-PCLIKHOPSA-N 0 0 382.419 6.078 40 30 GKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409216990 231182558 /nfs/dbraw/zinc/18/25/58/231182558.db2.gz QLBMVTZTALRHEE-TURZUDJPSA-N 0 0 393.486 7.117 40 30 GKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccccc3)cc2Cl)c([N+](=O)[O-])c1 ZINC000409215167 231182574 /nfs/dbraw/zinc/18/25/74/231182574.db2.gz XTZRSMXFRBAVRQ-CIAFOILYSA-N 0 0 397.774 5.699 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3cc(C)ccc3C)c2)cc1 ZINC000409217109 231182608 /nfs/dbraw/zinc/18/26/08/231182608.db2.gz RTABHQHWMQIMJP-HAHDFKILSA-N 0 0 379.481 5.130 40 30 GKEBRN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 ZINC000409214011 231182700 /nfs/dbraw/zinc/18/27/00/231182700.db2.gz WPLTWKKFDWPFRE-CIAFOILYSA-N 0 0 397.774 5.699 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3C)o2)c(Br)c1 ZINC000409221017 231183697 /nfs/dbraw/zinc/18/36/97/231183697.db2.gz JHTLWTJKCJZGSU-SSDVNMTOSA-N 0 0 388.692 6.730 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3cccc4ccccc43)o2)c(Br)c1 ZINC000409228721 231183841 /nfs/dbraw/zinc/18/38/41/231183841.db2.gz DAWFIAVIRLWKEI-ZVHZXABRSA-N 0 0 390.280 6.921 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Br)c1 ZINC000409229853 231184133 /nfs/dbraw/zinc/18/41/33/231184133.db2.gz ANPZIGGCYZOUKF-FBHDLOMBSA-N 0 0 384.229 5.497 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(C)cc3Br)cc2)cc1 ZINC000409240519 231185097 /nfs/dbraw/zinc/18/50/97/231185097.db2.gz QEUXVBBZSOKJMK-UCQKPKSFSA-N 0 0 396.353 6.968 40 30 GKEBRN CCn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 ZINC000409235601 231185179 /nfs/dbraw/zinc/18/51/79/231185179.db2.gz CHIHNYJHDCRHCH-ATAQLJSPSA-N 0 0 393.487 5.424 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N\NC(=S)Nc3ccccc3)cc2)cc1 ZINC000409235673 231185729 /nfs/dbraw/zinc/18/57/29/231185729.db2.gz CTVSBSBXMICXLF-JCMHNJIXSA-N 0 0 377.538 5.467 40 30 GKEBRN Cc1ccc(Sc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409243185 231186362 /nfs/dbraw/zinc/18/63/62/231186362.db2.gz ZQYSIMCAUIYBJV-ROTLSHHCSA-N 0 0 387.430 6.006 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3Br)cc2)cc1 ZINC000409241157 231186383 /nfs/dbraw/zinc/18/63/83/231186383.db2.gz RQUJJTPMLCTJBP-HMAPJEAMSA-N 0 0 382.326 6.659 40 30 GKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000409246993 231187830 /nfs/dbraw/zinc/18/78/30/231187830.db2.gz FPRISCAECQQLCA-ZXVVBBHZSA-N 0 0 379.528 7.564 40 30 GKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(Cl)c1 ZINC000409287241 231188626 /nfs/dbraw/zinc/18/86/26/231188626.db2.gz ZNPZZVVDOSEHGU-UHFFFAOYSA-N 0 0 399.837 5.345 40 30 GKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(-c2ccccc2)o1 ZINC000409303636 231188845 /nfs/dbraw/zinc/18/88/45/231188845.db2.gz HQOKHIPKJUQTEO-UHFFFAOYSA-N 0 0 397.478 5.586 40 30 GKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1C(F)(F)F ZINC000409298899 231189102 /nfs/dbraw/zinc/18/91/02/231189102.db2.gz QBQVGFIBRNDZMB-UHFFFAOYSA-N 0 0 399.416 5.345 40 30 GKEBRN Cc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1 ZINC000409306116 231189375 /nfs/dbraw/zinc/18/93/75/231189375.db2.gz PFPUDPGROOIOTE-UHFFFAOYSA-N 0 0 379.419 5.000 40 30 GKEBRN Cc1c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc2n1C ZINC000409370275 231196437 /nfs/dbraw/zinc/19/64/37/231196437.db2.gz NZXOBNNDZMIVIZ-VULFUBBASA-N 0 0 395.418 6.222 40 30 GKEBRN COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OC)c1 ZINC000409375829 231196443 /nfs/dbraw/zinc/19/64/43/231196443.db2.gz PRZRULFQQPYYRQ-ZMOGYAJESA-N 0 0 388.379 5.439 40 30 GKEBRN Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Br ZINC000409391567 231200452 /nfs/dbraw/zinc/20/04/52/231200452.db2.gz JUDIKWVALGDDKI-UHFFFAOYSA-N 0 0 393.236 5.480 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409015697 529429889 /nfs/dbraw/zinc/42/98/89/529429889.db2.gz DGHCEOFGFMWSMS-QKIXXSFTSA-N 0 0 385.985 7.817 40 30 GKEBRN CC[C@@H](C)n1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 ZINC000409217064 529437084 /nfs/dbraw/zinc/43/70/84/529437084.db2.gz NQJDLXQMZANDEN-DAUCFQFSSA-N 0 0 383.561 5.701 40 30 GKEBRN CC[C@@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000007449693 529430700 /nfs/dbraw/zinc/43/07/00/529430700.db2.gz QTYJQCGTHBREMA-GYCJOSAFSA-N 0 0 391.580 7.102 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)cc2Br)c1C ZINC000408966956 529558467 /nfs/dbraw/zinc/55/84/67/529558467.db2.gz OGDIMUQUAMMRMJ-OYKKKHCWSA-N 0 0 395.344 6.478 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C ZINC000408966756 529558975 /nfs/dbraw/zinc/55/89/75/529558975.db2.gz NHPMMAIMCAEXLC-TURZUDJPSA-N 0 0 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CC[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)Oc1ccccc1 ZINC000001612173 209333124 /nfs/dbraw/zinc/33/31/24/209333124.db2.gz WLOSOUFXXKTZQT-XMMPIXPASA-N 0 0 381.435 5.173 40 30 GKEBRN N#Cc1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000001912601 209342294 /nfs/dbraw/zinc/34/22/94/209342294.db2.gz XCRCQZABHCQVQY-SOFGYWHQSA-N 0 0 377.296 5.457 40 30 GKEBRN O=C1c2ccccc2-c2ccccc2/C1=N\N=C(c1ccccc1)c1ccccc1 ZINC000001599185 209334087 /nfs/dbraw/zinc/33/40/87/209334087.db2.gz AEKFBNIVRZUCFQ-PBBVDAKRSA-N 0 0 386.454 5.792 40 30 GKEBRN CCCCCCN(CCCCCC)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001697998 212253861 /nfs/dbraw/zinc/25/38/61/212253861.db2.gz XHFSZGDIDZIAEA-UHFFFAOYSA-N 0 0 375.940 5.979 40 30 GKEBRN Cc1ccc(NC(=Nc2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000001590083 212251175 /nfs/dbraw/zinc/25/11/75/212251175.db2.gz QDKDQXZZOMEOFD-UHFFFAOYSA-N 0 0 376.503 6.969 40 30 GKEBRN COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1Cl ZINC000001424032 212243528 /nfs/dbraw/zinc/24/35/28/212243528.db2.gz RXBBQMYKZZHXEZ-ZMOGYAJESA-N 0 0 376.843 6.216 40 30 GKEBRN CCOc1cc(Br)cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1O ZINC000001228521 212231521 /nfs/dbraw/zinc/23/15/21/212231521.db2.gz HZGCXUDUDIIWLS-SRZZPIQSSA-N 0 0 392.293 5.307 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S ZINC000001204334 212101850 /nfs/dbraw/zinc/10/18/50/212101850.db2.gz MFLLEXMFOVLNIJ-DHDCSXOGSA-N 0 0 379.865 5.126 40 30 GKEBRN C=CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000216829686 212105617 /nfs/dbraw/zinc/10/56/17/212105617.db2.gz AROHZLNBQFDWPM-UHFFFAOYSA-N 0 0 381.255 5.314 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001441351 212060661 /nfs/dbraw/zinc/06/06/61/212060661.db2.gz IONJAPBGVQCVFD-OAQYLSRUSA-N 0 0 399.450 5.344 40 30 GKEBRN COc1ccccc1[C@@H]1CCCCCC[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001725323 203917486 /nfs/dbraw/zinc/91/74/86/203917486.db2.gz HIXCEEZJIGIVRB-RBBKRZOGSA-N 0 0 388.529 5.216 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(Br)cc1 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GKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc2c(c1)Sc1ccccc1O2 ZINC000005412430 204130746 /nfs/dbraw/zinc/13/07/46/204130746.db2.gz YWBRWAVVINBCAK-QRVIBDJDSA-N 0 0 389.505 6.389 40 30 GKEBRN CCCC/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1CCCC ZINC000005552241 204138316 /nfs/dbraw/zinc/13/83/16/204138316.db2.gz QVBXEHFFCQVVKB-ISRZJSKBSA-N 0 0 395.366 5.322 40 30 GKEBRN Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2cccc3ccccc23)cc1 ZINC000005649171 204144381 /nfs/dbraw/zinc/14/43/81/204144381.db2.gz LBQQXGVSCFLPLD-PKAZHMFMSA-N 0 0 389.458 5.407 40 30 GKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc2ccccc12 ZINC000008436608 204276237 /nfs/dbraw/zinc/27/62/37/204276237.db2.gz NOBIFCWJVUCXEQ-WOJGMQOQSA-N 0 0 398.409 5.750 40 30 GKEBRN N#Cc1cccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c1 ZINC000009200092 204302097 /nfs/dbraw/zinc/30/20/97/204302097.db2.gz XLLICAJKBZZBJZ-UHFFFAOYSA-N 0 0 383.476 5.414 40 30 GKEBRN CC(=O)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)C(F)(F)C(F)(F)F ZINC000016158394 204590502 /nfs/dbraw/zinc/59/05/02/204590502.db2.gz MAMHGNWPTBTGQD-UHFFFAOYSA-N 0 0 388.670 5.153 40 30 GKEBRN Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 ZINC000225885308 211934263 /nfs/dbraw/zinc/93/42/63/211934263.db2.gz ILIJNMKLZRQNLE-UHFFFAOYSA-N 0 0 386.282 5.706 40 30 GKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000005372135 209140743 /nfs/dbraw/zinc/14/07/43/209140743.db2.gz TZLQSNZOQYHICK-UYRXBGFRSA-N 0 0 381.522 5.274 40 30 GKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C ZINC000004521924 209138884 /nfs/dbraw/zinc/13/88/84/209138884.db2.gz QYSXJUFSXHHAJI-FVUVGDFOSA-N 0 0 384.648 7.619 40 30 endogenous,world GKEBRN C=CCN1c2sc3c(c2C(c2ccc(C(C)(C)C)cc2)=NCC1=O)CCCC3 ZINC000004212611 209138729 /nfs/dbraw/zinc/13/87/29/209138729.db2.gz IXQRJKWJHABOGX-UHFFFAOYSA-N 0 0 392.568 5.294 40 30 GKEBRN Clc1ccc(-c2ccc(C=NNc3ccc(Br)cc3)o2)cc1 ZINC000006829147 209127830 /nfs/dbraw/zinc/12/78/30/209127830.db2.gz YJBZNTUFBPVYON-RGVLZGJSSA-N 0 0 375.653 5.809 40 30 GKEBRN Clc1ccc(/C=N/OCO/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000003660172 209117999 /nfs/dbraw/zinc/11/79/99/209117999.db2.gz AYMBQHRDGSBNHZ-BPYXDGQXSA-N 0 0 392.069 5.659 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001441350 209115836 /nfs/dbraw/zinc/11/58/36/209115836.db2.gz IONJAPBGVQCVFD-NRFANRHFSA-N 0 0 399.450 5.344 40 30 GKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C(=C/c3ccccc3)c3ccccc3)sc2C1 ZINC000001771084 209112402 /nfs/dbraw/zinc/11/24/02/209112402.db2.gz FLASGAYKZUMCHQ-WNSCPLKPSA-N 0 0 398.531 5.924 40 30 GKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc([N+](=O)[O-])o1)CCCC2 ZINC000100956963 205615485 /nfs/dbraw/zinc/61/54/85/205615485.db2.gz ILOPWLJEJQKSQK-MTJSOVHGSA-N 0 0 395.440 5.131 40 30 GKEBRN CCc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000001354248 205709564 /nfs/dbraw/zinc/70/95/64/205709564.db2.gz OXJKEGSOOGYHMU-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C#N ZINC000225680355 206065065 /nfs/dbraw/zinc/06/50/65/206065065.db2.gz QKXUUVGOKDJNOF-UHFFFAOYSA-N 0 0 376.500 5.496 40 30 GKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C#N)c1 ZINC000225685433 206067522 /nfs/dbraw/zinc/06/75/22/206067522.db2.gz TYGWYVGXOCTQPE-MRXNPFEDSA-N 0 0 396.918 5.839 40 30 GKEBRN COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCC2)cc1 ZINC000225754485 206073057 /nfs/dbraw/zinc/07/30/57/206073057.db2.gz JOVOIWWLHNQSFD-UHFFFAOYSA-N 0 0 392.499 5.052 40 30 GKEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C#N ZINC000225761359 206074685 /nfs/dbraw/zinc/07/46/85/206074685.db2.gz OUXNNLXAANLWAR-UHFFFAOYSA-N 0 0 380.463 5.325 40 30 GKEBRN COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3C#N)CCCCC2)cc1 ZINC000225768520 206074719 /nfs/dbraw/zinc/07/47/19/206074719.db2.gz IWSDNHWIMLAUPH-UHFFFAOYSA-N 0 0 392.499 5.195 40 30 GKEBRN COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000225884686 206084208 /nfs/dbraw/zinc/08/42/08/206084208.db2.gz AFGIBAORCJTICH-UHFFFAOYSA-N 0 0 388.254 5.098 40 30 GKEBRN C=C[C@](C)(CC[C@@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C)OC(C)=O ZINC000004104729 211681826 /nfs/dbraw/zinc/68/18/26/211681826.db2.gz CFEOXVWJRPHLSF-SUKBPVAZSA-N 0 0 390.564 5.615 40 30 biogenic,in-vitro GKEBRN C=CCOc1ccccc1/C=C1\SC(=S)N(c2cc(C)ccc2C)C1=O ZINC000005371422 206229155 /nfs/dbraw/zinc/22/91/55/206229155.db2.gz KFGLRNNWCPPXPY-UYRXBGFRSA-N 0 0 381.522 5.274 40 30 GKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3CC)C2=O)cc1 ZINC000005372119 206228506 /nfs/dbraw/zinc/22/85/06/206228506.db2.gz OZRUNYYHJIBNKD-RGEXLXHISA-N 0 0 381.522 5.220 40 30 GKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)ccc1Cl ZINC000001433852 206212892 /nfs/dbraw/zinc/21/28/92/206212892.db2.gz AZANZRQTZXYWKN-WSDLNYQXSA-N 0 0 377.787 5.807 40 30 GKEBRN C=CCc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000016138484 206246540 /nfs/dbraw/zinc/24/65/40/206246540.db2.gz SGPQQJFSYGPCMP-UHFFFAOYSA-N 0 0 383.441 7.089 40 30 GKEBRN C=CCc1cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC ZINC000218658034 206258412 /nfs/dbraw/zinc/25/84/12/206258412.db2.gz WOHPAJTZOPBLTE-RTBURBONSA-N 0 0 392.543 5.151 40 30 GKEBRN C=CCSc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl ZINC000219803164 206258837 /nfs/dbraw/zinc/25/88/37/206258837.db2.gz DHXYZHYXLOTFMF-UHFFFAOYSA-N 0 0 395.952 5.420 40 30 GKEBRN C=C(C)COc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219792064 206258849 /nfs/dbraw/zinc/25/88/49/206258849.db2.gz JSUSWCYWJLRVLG-UXHICEINSA-N 0 0 392.543 5.369 40 30 GKEBRN C=CCSc1nsc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000004898406 211551872 /nfs/dbraw/zinc/55/18/72/211551872.db2.gz RUPQGZNDHWWFIU-UHFFFAOYSA-N 0 0 394.831 5.132 40 30 GKEBRN C=CCSc1nsc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000004898405 211551047 /nfs/dbraw/zinc/55/10/47/211551047.db2.gz MBSIBKBGHWCRIX-UHFFFAOYSA-N 0 0 394.831 5.132 40 30 GKEBRN Cc1ccc2nc(-c3ccc(C)c(/N=C/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c1 ZINC000003068521 211520687 /nfs/dbraw/zinc/52/06/87/211520687.db2.gz UYKROJXDFUXFTG-MLZQUUFASA-N 0 0 397.434 6.436 40 30 GKEBRN 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388.941 5.935 40 30 GKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C)cc1Br ZINC000409230192 532954478 /nfs/dbraw/zinc/95/44/78/532954478.db2.gz CIFNIMZBDKWOAE-HMAPJEAMSA-N 0 0 387.321 5.507 40 30 GKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408967777 533029798 /nfs/dbraw/zinc/02/97/98/533029798.db2.gz SAMGJJDHZOAPFY-PCLIKHOPSA-N 0 0 376.569 6.864 40 30 GKEBRN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000000821590 208481294 /nfs/dbraw/zinc/48/12/94/208481294.db2.gz UCDJGGQHEAVTAY-CIAFOILYSA-N 0 0 380.425 5.251 40 30 GKEBRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3ccccc3n2)c(C)c1 ZINC000000873814 208484299 /nfs/dbraw/zinc/48/42/99/208484299.db2.gz NZQWFERDTWSWET-UHFFFAOYSA-N 0 0 377.447 5.643 40 30 GKEBRN Brc1ccc(-c2ccc(/C=N/c3cccc4ccccc43)o2)cc1 ZINC000000824726 220460163 /nfs/dbraw/zinc/46/01/63/220460163.db2.gz XPQZNAKLKSOIFJ-OEAKJJBVSA-N 0 0 376.253 6.613 40 30 GKEBRN N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1-c1ccccc1)CCC2 ZINC000002479572 220540012 /nfs/dbraw/zinc/54/00/12/220540012.db2.gz OYGPFLCNDRURQI-UHFFFAOYSA-N 0 0 394.902 6.194 40 30 GKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C#N)c1 ZINC000225754674 208973561 /nfs/dbraw/zinc/97/35/61/208973561.db2.gz LNAWMMSYFVUHIW-UHFFFAOYSA-N 0 0 392.499 5.196 40 30 GKEBRN COc1cc2c(cc1/C=N\c1ccc(Oc3cccc(Cl)c3)cc1)OCO2 ZINC000409070867 533153110 /nfs/dbraw/zinc/15/31/10/533153110.db2.gz HCHZJNUPOKRKNV-FMCGGJTJSA-N 0 0 381.815 5.620 40 30 GKEBRN Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@H](\C1=N/c1c(C)cccc1C)[C@@H]23 ZINC000004293453 220701812 /nfs/dbraw/zinc/70/18/12/220701812.db2.gz YPOGTCIJJHJVON-CWOQOCGBSA-N 0 0 390.530 7.004 40 30 GKEBRN COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccccc2)cc1 ZINC000408722247 533189620 /nfs/dbraw/zinc/18/96/20/533189620.db2.gz FTLDWCZKSQMURP-MFKUBSTISA-N 0 0 388.467 6.375 40 30 GKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccccc2)cc1 ZINC000408723418 533190110 /nfs/dbraw/zinc/19/01/10/533190110.db2.gz UGMHVYDCDSSSFJ-BUVRLJJBSA-N 0 0 386.476 5.942 40 30 GKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(Br)o1 ZINC000005376732 220863699 /nfs/dbraw/zinc/86/36/99/220863699.db2.gz CBHBXGGXLXEGQT-XNTDXEJSSA-N 0 0 399.269 5.087 40 30 GKEBRN N#C[C@@H](c1ccc(Cl)cc1)c1cccc([C@@H](C#N)c2ccc(Cl)cc2)n1 ZINC000013222838 221264380 /nfs/dbraw/zinc/26/43/80/221264380.db2.gz HDHWCVHVEDSRTI-OALUTQOASA-N 0 0 378.262 5.699 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC ZINC000408907262 533240126 /nfs/dbraw/zinc/24/01/26/533240126.db2.gz AIABUOZEHBNNJA-DYEBMTOPSA-N 0 0 396.512 5.025 40 30 GKEBRN COc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409208447 533251147 /nfs/dbraw/zinc/25/11/47/533251147.db2.gz CBKOHXHBQJQZJQ-UCQKPKSFSA-N 0 0 396.284 5.787 40 30 GKEBRN COc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl ZINC000409093619 533251736 /nfs/dbraw/zinc/25/17/36/533251736.db2.gz BIOVIYXERNLLGM-YDZHTSKRSA-N 0 0 388.319 6.904 40 30 GKEBRN COc1ccc(Br)c2c1-c1nc(/N=C/c3ccsc3)sc1C2 ZINC000409043419 533263098 /nfs/dbraw/zinc/26/30/98/533263098.db2.gz QRKORDCTDABCDN-CNHKJKLMSA-N 0 0 391.315 5.298 40 30 GKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O ZINC000408912260 533339895 /nfs/dbraw/zinc/33/98/95/533339895.db2.gz PPWZAIHBNFNAMV-NFEGURHZSA-N 0 0 388.492 5.391 40 30 GKEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408804273 533377819 /nfs/dbraw/zinc/37/78/19/533377819.db2.gz WTWDVSLVRNWKPO-MYYYXRDXSA-N 0 0 388.467 5.080 40 30 GKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000119169771 533449090 /nfs/dbraw/zinc/44/90/90/533449090.db2.gz FXRYPRSTXONWAP-BCKNHDKGSA-N 0 0 388.592 5.612 40 30 GKEBRN COc1cc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O ZINC000408729353 533470104 /nfs/dbraw/zinc/47/01/04/533470104.db2.gz AZZNTJLLSJPROM-ONNFQVAWSA-N 0 0 399.490 5.434 40 30 GKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(C)c1 ZINC000408596025 533483085 /nfs/dbraw/zinc/48/30/85/533483085.db2.gz YSXPPSBFQYXCMB-CVKSISIWSA-N 0 0 386.451 5.005 40 30 GKEBRN COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1 ZINC000409215914 533484835 /nfs/dbraw/zinc/48/48/35/533484835.db2.gz CCKQPXMORSXBHU-IZVPMIMASA-N 0 0 382.529 5.539 40 30 GKEBRN COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000409098252 533677117 /nfs/dbraw/zinc/67/71/17/533677117.db2.gz ODILRIXBMMKWRU-LPYMAVHISA-N 0 0 382.803 5.800 40 30 GKEBRN CCCCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1ccccc1 ZINC000036294593 221850679 /nfs/dbraw/zinc/85/06/79/221850679.db2.gz JDBFNFBWXVCTSA-UHFFFAOYSA-N 0 0 395.546 7.510 40 30 in-vivo GKEBRN COc1ccc(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c1O ZINC000100933755 222465423 /nfs/dbraw/zinc/46/54/23/222465423.db2.gz LXKHRQKSOJVHLO-LPYMAVHISA-N 0 0 397.272 5.658 40 30 GKEBRN N#Cc1c(NC(=O)Nc2ccc(F)cc2F)sc(=S)c2c1CCCC2 ZINC000104206175 222500949 /nfs/dbraw/zinc/50/09/49/222500949.db2.gz USQMMWRDKFEXQG-UHFFFAOYSA-N 0 0 377.441 5.150 40 30 GKEBRN COC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)ccc1Cl ZINC000408691859 533714617 /nfs/dbraw/zinc/71/46/17/533714617.db2.gz UTMBHCBGJVDTCP-DHZHZOJOSA-N 0 0 380.827 5.591 40 30 GKEBRN COC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)ccc1Cl ZINC000408656211 533714636 /nfs/dbraw/zinc/71/46/36/533714636.db2.gz LUHZOYGLUMGAFR-DHZHZOJOSA-N 0 0 396.826 5.291 40 30 GKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C)cc1 ZINC000408909577 533718431 /nfs/dbraw/zinc/71/84/31/533718431.db2.gz HDBVXJFDVUMMSA-UHFFFAOYSA-N 0 0 384.431 5.045 40 30 GKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C ZINC000408692138 533830213 /nfs/dbraw/zinc/83/02/13/533830213.db2.gz FFAAGJDDTCLYKM-PKNBQFBNSA-N 0 0 379.887 5.961 40 30 GKEBRN COc1cccc2c(/C=N\c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c21 ZINC000408832513 533830621 /nfs/dbraw/zinc/83/06/21/533830621.db2.gz XJGNUNODDPRZEI-MYYYXRDXSA-N 0 0 383.451 5.553 40 30 GKEBRN COc1ccc(Cl)cc1-n1c(C)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1C ZINC000408908805 533831180 /nfs/dbraw/zinc/83/11/80/533831180.db2.gz DGIKOFBJCMHFNL-UUYOSTAYSA-N 0 0 398.850 5.110 40 30 GKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000408910262 533832639 /nfs/dbraw/zinc/83/26/39/533832639.db2.gz JFAMPCVCERZGLP-FTIPTLOASA-N 0 0 386.904 5.361 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409066785 533834653 /nfs/dbraw/zinc/83/46/53/533834653.db2.gz MHMFWQMGEJFLEW-YDZHTSKRSA-N 0 0 388.319 6.904 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cc(Br)c(Br)o1 ZINC000408953952 533835356 /nfs/dbraw/zinc/83/53/56/533835356.db2.gz QYHLNTWDHRLOMJ-OMCISZLKSA-N 0 0 393.462 5.217 40 30 GKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408966391 533836056 /nfs/dbraw/zinc/83/60/56/533836056.db2.gz LIIFTOBBCPCXHY-CVKSISIWSA-N 0 0 394.946 6.804 40 30 GKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 ZINC000408858782 533867197 /nfs/dbraw/zinc/86/71/97/533867197.db2.gz LUSQWEZBMNBWMC-ODLFYWEKSA-N 0 0 394.883 5.393 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 ZINC000408743784 533952140 /nfs/dbraw/zinc/95/21/40/533952140.db2.gz VFHYPHCFLPADQJ-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc4ncccc4c3)c2C)cc1 ZINC000100279330 533954258 /nfs/dbraw/zinc/95/42/58/533954258.db2.gz JIIZUKOPZXCTIA-YSMPRRRNSA-N 0 0 383.451 5.180 40 30 GKEBRN COC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000409116154 533965890 /nfs/dbraw/zinc/96/58/90/533965890.db2.gz KYXTZEZOCMYQGP-HMAPJEAMSA-N 0 0 392.436 5.283 40 30 GKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000408753206 534014954 /nfs/dbraw/zinc/01/49/54/534014954.db2.gz FEJWMKPDVPRXTQ-ZXVVBBHZSA-N 0 0 379.507 6.575 40 30 GKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966198 534015073 /nfs/dbraw/zinc/01/50/73/534015073.db2.gz KJWVLAPYYGXLMU-BUVRLJJBSA-N 0 0 390.487 5.746 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C)c(C)c1 ZINC000409072223 534014606 /nfs/dbraw/zinc/01/46/06/534014606.db2.gz MRHVILRSOTWUKQ-KBKYJPHKSA-N 0 0 386.421 5.571 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1c(C)cccc1C ZINC000409074410 534014771 /nfs/dbraw/zinc/01/47/71/534014771.db2.gz QYEVOQAWGKPPTR-KBKYJPHKSA-N 0 0 386.421 5.571 40 30 GKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738553 534016652 /nfs/dbraw/zinc/01/66/52/534016652.db2.gz LXAGPZZNKLPUKY-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(C)cc1 ZINC000408738227 534016738 /nfs/dbraw/zinc/01/67/38/534016738.db2.gz JJBTXEVIMVVYIJ-YDZHTSKRSA-N 0 0 381.317 6.224 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1c(C)cc(C)cc1C ZINC000408593071 534016970 /nfs/dbraw/zinc/01/69/70/534016970.db2.gz OSPNCJMTEPTEJQ-ZMOGYAJESA-N 0 0 391.471 5.478 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116664 534017135 /nfs/dbraw/zinc/01/71/35/534017135.db2.gz AZVBLKYDYLPVKT-SSDVNMTOSA-N 0 0 388.254 6.060 40 30 GKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408737174 534017320 /nfs/dbraw/zinc/01/73/20/534017320.db2.gz ABGTZVKLJLYKRE-FSJBWODESA-N 0 0 385.280 6.055 40 30 GKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 ZINC000408783426 534025072 /nfs/dbraw/zinc/02/50/72/534025072.db2.gz LGMOTILWISHFOX-MOSHPQCFSA-N 0 0 395.528 5.120 40 30 GKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OC)cc3C)S2)cc1 ZINC000408965792 534024438 /nfs/dbraw/zinc/02/44/38/534024438.db2.gz MAQNAOOPBYMRBJ-UDWIEESQSA-N 0 0 396.512 5.027 40 30 GKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 ZINC000020763535 534076937 /nfs/dbraw/zinc/07/69/37/534076937.db2.gz PBRWXZLXOAOMQH-WPWMEQJKSA-N 0 0 383.495 5.130 40 30 GKEBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C#N)cc4F)c3)oc2cc1C ZINC000408623363 534128667 /nfs/dbraw/zinc/12/86/67/534128667.db2.gz SWODBJLULAIMMU-UHFFFAOYSA-N 0 0 385.398 5.375 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000409393668 534143178 /nfs/dbraw/zinc/14/31/78/534143178.db2.gz YXKFVNTXDBWKEZ-UHFFFAOYSA-N 0 0 375.855 5.519 40 30 GKEBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N/N=C3CCCCC3)n2N)cc1 ZINC000409377238 534162024 /nfs/dbraw/zinc/16/20/24/534162024.db2.gz FXPITAUNLZDZNY-YYDJUVGSSA-N 0 0 376.529 5.127 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3Cl)c3ccccc32)o1 ZINC000409390050 534165341 /nfs/dbraw/zinc/16/53/41/534165341.db2.gz DIHKLAQEHWUANA-MSXFZWOLSA-N 0 0 392.842 5.473 40 30 GKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3cc(C)ccc3C)c3ccccc32)o1 ZINC000409393630 534165593 /nfs/dbraw/zinc/16/55/93/534165593.db2.gz RNYCLIBORQBKJB-MXAYSNPKSA-N 0 0 386.451 5.437 40 30 GKEBRN Cc1ccc(-c2cc(NC=C3C(=O)CC(C)(C)CC3=O)n(-c3ccccc3)n2)cc1 ZINC000408926375 534183750 /nfs/dbraw/zinc/18/37/50/534183750.db2.gz UCUGWQJGKHRXJY-UHFFFAOYSA-N 0 0 399.494 5.102 40 30 GKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN=c2[nH]c3ccccc3s2)o1 ZINC000408590836 534222543 /nfs/dbraw/zinc/22/25/43/534222543.db2.gz QRVLJZQSGJTHQY-YDZHTSKRSA-N 0 0 399.479 5.496 40 30 GKEBRN Cc1ccc(-c2oc(/N=C/c3ccc(F)cc3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409351617 534235499 /nfs/dbraw/zinc/23/54/99/534235499.db2.gz XWHACHMVMUKPDF-MUFRIFMGSA-N 0 0 394.449 6.992 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)s1 ZINC000409076410 534247997 /nfs/dbraw/zinc/24/79/97/534247997.db2.gz BEYWMBGIIRMDAM-PZDISWOBSA-N 0 0 390.961 5.970 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408726556 534248288 /nfs/dbraw/zinc/24/82/88/534248288.db2.gz SWIYOXNEZLOYGH-JTUXUYRKSA-N 0 0 398.531 6.420 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409090025 534248452 /nfs/dbraw/zinc/24/84/52/534248452.db2.gz OEHQKNTWAKJDFW-RSXNERHXSA-N 0 0 384.932 5.908 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409210119 534251904 /nfs/dbraw/zinc/25/19/04/534251904.db2.gz IIPAHFPLSUIPQM-YDZHTSKRSA-N 0 0 380.831 5.886 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C ZINC000409209456 534251945 /nfs/dbraw/zinc/25/19/45/534251945.db2.gz BSMHNBBXPNZFKT-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C(C)C)cc1 ZINC000408913595 534251977 /nfs/dbraw/zinc/25/19/77/534251977.db2.gz NBBIAKJJDAYWPK-AUCMGLCLSA-N 0 0 386.904 5.366 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl ZINC000409209374 534252028 /nfs/dbraw/zinc/25/20/28/534252028.db2.gz DXUBOTOSDSCSIV-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)N2C)cc1 ZINC000408906139 534252129 /nfs/dbraw/zinc/25/21/29/534252129.db2.gz HOQYMEBLENRWNY-DYEBMTOPSA-N 0 0 380.513 5.264 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C ZINC000409216949 534252133 /nfs/dbraw/zinc/25/21/33/534252133.db2.gz MOWCSHXXKPDAPN-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(/N=C2/C/C(=N/c3ccc(C)c(Cl)c3)c3ccccc32)cc1Cl ZINC000100105800 534252160 /nfs/dbraw/zinc/25/21/60/534252160.db2.gz SOASIOGZFDHVKO-VDUNRZOZSA-N 0 0 393.317 7.256 40 30 GKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(C)c3)c3ccccc32)c1 ZINC000408544170 534267586 /nfs/dbraw/zinc/26/75/86/534267586.db2.gz VKWQUHHDLZZCSV-YSMPRRRNSA-N 0 0 382.463 5.535 40 30 GKEBRN COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408968045 534286468 /nfs/dbraw/zinc/28/64/68/534286468.db2.gz TZEJPFSFFMCAIH-QQXSKIMKSA-N 0 0 388.511 5.929 40 30 GKEBRN Brc1cc2c(cc1/N=C\c1ccc3c(c1)OCO3)Cc1ccccc1-2 ZINC000104102188 518207476 /nfs/dbraw/zinc/20/74/76/518207476.db2.gz JMWYUKICEHBDMA-KSEXSDGBSA-N 0 0 392.252 5.500 40 30 GKEBRN Brc1cc2c(cc1/N=C/c1ccc3c(c1)OCO3)Cc1ccccc1-2 ZINC000018056151 518208568 /nfs/dbraw/zinc/20/85/68/518208568.db2.gz JMWYUKICEHBDMA-FOKLQQMPSA-N 0 0 392.252 5.500 40 30 GKEBRN c1ccc(-c2nc(N=NCc3ccnc4ccccc34)nc3ccccc32)cc1 ZINC000046085485 518376656 /nfs/dbraw/zinc/37/66/56/518376656.db2.gz VRKAVOFAOXYMSU-WGOQTCKBSA-N 0 0 375.435 5.291 40 30 GKEBRN c1ccc(-c2nc(N=NCc3ccc4ncccc4c3)nc3ccccc32)cc1 ZINC000046085278 518377198 /nfs/dbraw/zinc/37/71/98/518377198.db2.gz GRDBJRVTQMXHJB-WGOQTCKBSA-N 0 0 375.435 5.291 40 30 GKEBRN c1ccc2c(c1)c(N=NCC1CCCCC1)nnc2N=NCC1CCCCC1 ZINC000017418706 518379393 /nfs/dbraw/zinc/37/93/93/518379393.db2.gz DEIUFPGNYMZUAV-DFEHQXHXSA-N 0 0 378.524 5.586 40 30 GKEBRN C(=Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cccc(Oc2ccccc2)c1 ZINC000013281259 518379439 /nfs/dbraw/zinc/37/94/39/518379439.db2.gz IQGQXCQTYQHVOY-OVVQPSECSA-N 0 0 389.458 6.773 40 30 GKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000032100505 518430865 /nfs/dbraw/zinc/43/08/65/518430865.db2.gz WTQVXVXZRGIWKW-CSKARUKUSA-N 0 0 385.088 5.955 40 30 GKEBRN C/C(=N\Nc1nc(-c2ccc(C)cc2C)cs1)c1cc2ccccc2oc1=O ZINC000004957179 518467283 /nfs/dbraw/zinc/46/72/83/518467283.db2.gz ZGEGWWROZRMOKM-BUVRLJJBSA-N 0 0 389.480 5.369 40 30 GKEBRN C/C(CC(=O)c1ccccc1)=N/CCCCC/N=C(/C)CC(=O)c1ccccc1 ZINC000005502773 518473362 /nfs/dbraw/zinc/47/33/62/518473362.db2.gz FNNLPTYQRNVYRT-AQPNWFMJSA-N 0 0 390.527 5.625 40 30 GKEBRN C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)cc1 ZINC000103859823 518474837 /nfs/dbraw/zinc/47/48/37/518474837.db2.gz DYGRYSIFRUBVCR-OGLMXYFKSA-N 0 0 396.877 7.279 40 30 GKEBRN C=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707847 518649589 /nfs/dbraw/zinc/64/95/89/518649589.db2.gz SZFSPMFXRJVSPT-UHFFFAOYSA-N 0 0 380.531 5.478 40 30 GKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(c3noc4cc(F)ccc43)CC1)C2 ZINC000019460727 518658583 /nfs/dbraw/zinc/65/85/83/518658583.db2.gz ZWMZPOYFNBNECF-HJPURHCSSA-N 0 0 382.479 5.055 40 30 GKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N(Cc1cccnc1)Cc1ccccc1OC)C2 ZINC000019460713 518658925 /nfs/dbraw/zinc/65/89/25/518658925.db2.gz FZSILBDNDZMALB-OFVILXPXSA-N 0 0 390.527 5.002 40 30 GKEBRN C=CC(=O)N(c1ccccc1C)[C@@H](C#N)c1ccccc1OCc1ccccc1 ZINC000016848745 518671196 /nfs/dbraw/zinc/67/11/96/518671196.db2.gz JLUXDAHKCTUXTD-QHCPKHFHSA-N 0 0 382.463 5.358 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1cccc(Oc2ccccc2)c1 ZINC000409035958 534377528 /nfs/dbraw/zinc/37/75/28/534377528.db2.gz UVRWLVGAPZVZIT-VROXFSQNSA-N 0 0 380.263 5.193 40 30 GKEBRN C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225062254 518808972 /nfs/dbraw/zinc/80/89/72/518808972.db2.gz DAORNLVAIIZVQM-UHFFFAOYSA-N 0 0 391.414 5.240 40 30 GKEBRN C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225063337 518810384 /nfs/dbraw/zinc/81/03/84/518810384.db2.gz ZJMMFPZJPSDFSZ-UHFFFAOYSA-N 0 0 392.307 5.528 40 30 GKEBRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225049668 518815678 /nfs/dbraw/zinc/81/56/78/518815678.db2.gz UFUKYMSBHBMJPV-UHFFFAOYSA-N 0 0 391.414 5.240 40 30 GKEBRN C=CCOc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009197330 519017258 /nfs/dbraw/zinc/01/72/58/519017258.db2.gz KLRKCKHLCZEHEN-WSDLNYQXSA-N 0 0 379.287 5.081 40 30 GKEBRN C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000225506784 519042121 /nfs/dbraw/zinc/04/21/21/519042121.db2.gz AUWVAIWFRPPQJJ-QHCPKHFHSA-N 0 0 388.536 5.636 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 ZINC000225500975 519057826 /nfs/dbraw/zinc/05/78/26/519057826.db2.gz JJJPWCSNTOWGOU-NRFANRHFSA-N 0 0 384.545 5.334 40 30 GKEBRN C=CCOc1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 ZINC000225501003 519058094 /nfs/dbraw/zinc/05/80/94/519058094.db2.gz JJJPWCSNTOWGOU-OAQYLSRUSA-N 0 0 384.545 5.334 40 30 GKEBRN Cc1ccc2c(c1)C(=Nc1sc3c(c1C#N)CC[C@H](C(C)(C)C)C3)C(=O)N2 ZINC000409113627 534401254 /nfs/dbraw/zinc/40/12/54/534401254.db2.gz IAVHLPUVCJNYDC-ZDUSSCGKSA-N 0 0 377.513 5.152 40 30 GKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccs1 ZINC000010303466 519214309 /nfs/dbraw/zinc/21/43/09/519214309.db2.gz QXLGNAUJULOSOP-UHFFFAOYSA-N 0 0 398.557 5.047 40 30 GKEBRN CC(/C=C\C1=C(C)CCCC1(C)C)=N\N=C(C)\C=C/C1=C(C)CCCC1(C)C ZINC000017379445 519349080 /nfs/dbraw/zinc/34/90/80/519349080.db2.gz SQYSFXIDGKWUEA-FOMAKTJTSA-N 0 0 380.620 7.989 40 30 GKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccc(O)cc1 ZINC000252394463 519351327 /nfs/dbraw/zinc/35/13/27/519351327.db2.gz NPQUCFHFRGLVNT-UHFFFAOYSA-N 0 0 398.441 5.491 40 30 GKEBRN CC(C)N=Nc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 ZINC000072229807 519445525 /nfs/dbraw/zinc/44/55/25/519445525.db2.gz YWDVNDBDAHROBG-UHFFFAOYSA-N 0 0 380.517 5.654 40 30 GKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000072228608 519445578 /nfs/dbraw/zinc/44/55/78/519445578.db2.gz DOCMNGRMMLUBHN-UHFFFAOYSA-N 0 0 386.908 5.627 40 30 GKEBRN CC(C)C(N=Nc1nc2ccccc2o1)N=Nc1ccc(Br)cc1 ZINC000101063718 519445666 /nfs/dbraw/zinc/44/56/66/519445666.db2.gz CLTHRFMWPJNGNT-NREFBKHKSA-N 0 0 386.253 5.756 40 30 GKEBRN CC(C)=N/N=C1\c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100080607 519446726 /nfs/dbraw/zinc/44/67/26/519446726.db2.gz AGSDZTBXEYDVJT-OSQOMCJFSA-N 0 0 394.474 5.085 40 30 GKEBRN CC(C)CC(=O)C1=C(N)C2=C(c3ccccc3)CC(c3ccccc3)=N[C@@H]2S1 ZINC000095117474 519574420 /nfs/dbraw/zinc/57/44/20/519574420.db2.gz OTSZEYQCHPHPKW-XUZZJYLKSA-N 0 0 388.536 5.048 40 30 GKEBRN CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000001499394 519735821 /nfs/dbraw/zinc/73/58/21/519735821.db2.gz OYASDBHHXBCGOC-ZVHZXABRSA-N 0 0 378.859 5.345 40 30 GKEBRN Oc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000409017970 534452448 /nfs/dbraw/zinc/45/24/48/534452448.db2.gz OFNSLVVKJFNIQU-YZSQISJMSA-N 0 0 378.431 6.347 40 30 GKEBRN CCCC(=O)Nc1ccc(-c2csc(N=NCc3ccc(OC)cc3)n2)cc1 ZINC000006782920 519877469 /nfs/dbraw/zinc/87/74/69/519877469.db2.gz VKPITMQFLACXTR-LPYMAVHISA-N 0 0 394.500 5.003 40 30 GKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017063474 519948927 /nfs/dbraw/zinc/94/89/27/519948927.db2.gz XQYTVFLVFSAPOV-AUWJEWJLSA-N 0 0 381.428 5.367 40 30 GKEBRN CCCCCCCC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc21 ZINC000072266994 519963179 /nfs/dbraw/zinc/96/31/79/519963179.db2.gz ZJIPRNQITXJYCK-SFHVURJKSA-N 0 0 385.552 5.301 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCC ZINC000080300587 519968640 /nfs/dbraw/zinc/96/86/40/519968640.db2.gz QTDSLDJPJJBBLE-PFONDFGASA-N 0 0 394.684 8.928 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1COC(C)(C)O1 ZINC000072399969 519970689 /nfs/dbraw/zinc/97/06/89/519970689.db2.gz LEEQPXMGHNSQNP-GJCOWUBNSA-N 0 0 396.612 6.719 40 30 in-vitro GKEBRN CCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000100300358 519979472 /nfs/dbraw/zinc/97/94/72/519979472.db2.gz ZKPYPYMRRDEUDP-NHCUHLMSSA-N 0 0 382.585 5.957 40 30 GKEBRN CCCCCCCCCCC(=O)CCCC(=O)Nc1cccc2ccccc21 ZINC000101674687 519980300 /nfs/dbraw/zinc/98/03/00/519980300.db2.gz SHBHGZTZOXWJAD-UHFFFAOYSA-N 0 0 381.560 7.049 40 30 GKEBRN CCCCCCCCCCCC(=O)O[C@H](C)C(=O)N(CCCC)CCCC ZINC000100302516 519983259 /nfs/dbraw/zinc/98/32/59/519983259.db2.gz NPYDRNCLCMUULA-OAQYLSRUSA-N 0 0 383.617 6.268 40 30 GKEBRN CCCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000100302615 519984366 /nfs/dbraw/zinc/98/43/66/519984366.db2.gz FQLBSEGUJXFREL-UHFFFAOYSA-N 0 0 394.555 7.000 40 30 GKEBRN CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC ZINC000100091252 519986496 /nfs/dbraw/zinc/98/64/96/519986496.db2.gz GGSURCIXQQGITI-UHFFFAOYSA-N 0 0 388.636 7.598 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC ZINC000085564085 519989751 /nfs/dbraw/zinc/98/97/51/519989751.db2.gz IYDRZGXWJPJSNY-UHFFFAOYSA-N 0 0 396.700 9.152 40 30 in-vitro GKEBRN CCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000100305967 519990599 /nfs/dbraw/zinc/99/05/99/519990599.db2.gz KTCOXWREQWKNAA-UHFFFAOYSA-N 0 0 382.588 8.227 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000100503808 519990613 /nfs/dbraw/zinc/99/06/13/519990613.db2.gz APLTVRSEHVESIR-UHFFFAOYSA-N 0 0 399.541 8.125 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC ZINC000100306088 519990995 /nfs/dbraw/zinc/99/09/95/519990995.db2.gz STQRAKVTHVXNSQ-UHFFFAOYSA-N 0 0 376.518 7.260 40 30 GKEBRN CCCCCCCCCCCCCCCCC(C(=O)OC)=C(O)C(=O)OCC ZINC000104283991 519991042 /nfs/dbraw/zinc/99/10/42/519991042.db2.gz DLBHDDYNOOLEJJ-QZQOTICOSA-N 0 0 398.584 6.406 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC ZINC000100116572 519992333 /nfs/dbraw/zinc/99/23/33/519992333.db2.gz HIKYVKDNGAULJV-UHFFFAOYSA-N 0 0 382.673 8.762 40 30 GKEBRN CCCCCCCCCCCCCCCCCCS(=O)(=O)C[C@@H](O)CO ZINC000104382106 519997039 /nfs/dbraw/zinc/99/70/39/519997039.db2.gz AOWBDZQRLRUZSD-NRFANRHFSA-N 0 0 392.646 5.016 40 30 GKEBRN CCCCCCCCCCCCCCCCCc1cc2[nH]c3ccccc3n2n1 ZINC000100988560 519998597 /nfs/dbraw/zinc/99/85/97/519998597.db2.gz IFRJITXTOLKBQT-UHFFFAOYSA-N 0 0 395.635 8.230 40 30 GKEBRN CCCCCCCCCCOc1ccc(/C(=N\OC)c2cccc(OC)c2)cc1 ZINC000097983554 520021178 /nfs/dbraw/zinc/02/11/78/520021178.db2.gz JCGUZNHGRZBMLT-OCEACIFDSA-N 0 0 397.559 6.614 40 30 GKEBRN CCCCCCCCCOc1ccc(C=O)c(OCCCCCCCCC)c1 ZINC000059608633 520029944 /nfs/dbraw/zinc/02/99/44/520029944.db2.gz HPFCFKKSTQSGBD-UHFFFAOYSA-N 0 0 390.608 7.758 40 30 GKEBRN CCCCCCCCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCCCCCCCC ZINC000100744142 520039092 /nfs/dbraw/zinc/03/90/92/520039092.db2.gz WWNWIBTTWTVLMZ-SZPZYZBQSA-N 0 0 394.596 6.376 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2OC)cc1 ZINC000101005228 520042975 /nfs/dbraw/zinc/04/29/75/520042975.db2.gz WFQBVGAPCFUIDR-UHFFFAOYSA-N 0 0 384.472 5.466 40 30 GKEBRN CCCCCCCCOc1ccccc1-c1nnc(-c2cc(C)cc(C)c2)o1 ZINC000068569047 520045237 /nfs/dbraw/zinc/04/52/37/520045237.db2.gz KDGSIPABWHDMMR-UHFFFAOYSA-N 0 0 378.516 6.760 40 30 GKEBRN CCCCCCCCSc1cc(C(N)=O)cc(SCCCCCC)n1 ZINC000068569540 520046087 /nfs/dbraw/zinc/04/60/87/520046087.db2.gz AIQUNHBOHRZYRY-UHFFFAOYSA-N 0 0 382.639 6.306 40 30 GKEBRN CCCCCCCOc1ccc(OC(=O)c2cccc(C)c2)c(C#N)c1C#N ZINC000003064764 520063932 /nfs/dbraw/zinc/06/39/32/520063932.db2.gz ABXVWYWVAVVDFD-UHFFFAOYSA-N 0 0 376.456 5.307 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3F)c(C)c2s1 ZINC000072228594 520184968 /nfs/dbraw/zinc/18/49/68/520184968.db2.gz CLRGWJAMWSDXMC-MSXFZWOLSA-N 0 0 384.480 5.502 40 30 GKEBRN CC/N=c1/scc(-c2ccc(-c3ccccc3)cc2)n1/N=C/c1ccccn1 ZINC000102960668 520210520 /nfs/dbraw/zinc/21/05/20/520210520.db2.gz MPOCIWOCVCOTQB-JGWVSIEUSA-N 0 0 384.508 5.081 40 30 GKEBRN CCON(/C=N\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000017109851 520227247 /nfs/dbraw/zinc/22/72/47/520227247.db2.gz MMNXZCHXTUHOAK-UKWGHVSLSA-N 0 0 378.086 6.418 40 30 GKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC ZINC000009197475 520639228 /nfs/dbraw/zinc/63/92/28/520639228.db2.gz RVZLNGPIJYAMEZ-ZVBGSRNCSA-N 0 0 387.694 5.178 40 30 GKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\[C@@H](Cc1ccccc1)C(=O)Oc1ccccc1 ZINC000013404095 520642670 /nfs/dbraw/zinc/64/26/70/520642670.db2.gz UTUGYCPSXHQSSU-FCECYZBOSA-N 0 0 388.507 5.403 40 30 GKEBRN CCOc1cc(Br)cc(/C=N/c2cc([C@@H](C)CC)ccc2O)c1O ZINC000003043438 520651147 /nfs/dbraw/zinc/65/11/47/520651147.db2.gz IPFQSIDEBRAFEA-OVMKCGGTSA-N 0 0 392.293 5.523 40 30 GKEBRN CCOc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1O ZINC000006693802 520734365 /nfs/dbraw/zinc/73/43/65/520734365.db2.gz CYJDJTOHKXONQB-ZMOGYAJESA-N 0 0 391.858 5.738 40 30 GKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(CC)cc1 ZINC000101764748 520800958 /nfs/dbraw/zinc/80/09/58/520800958.db2.gz QZKDXWGQRZSNSP-RPKJYVOXSA-N 0 0 376.500 5.401 40 30 GKEBRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)cc1 ZINC000101764903 520801659 /nfs/dbraw/zinc/80/16/59/520801659.db2.gz LJKFMUWFYVZIHV-CLCOLTQESA-N 0 0 380.875 5.402 40 30 GKEBRN Fc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1 ZINC000409199370 534519266 /nfs/dbraw/zinc/51/92/66/534519266.db2.gz CODHTPITMHBIFT-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN Fc1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409068116 534519490 /nfs/dbraw/zinc/51/94/90/534519490.db2.gz SSPJOBUPIHIEGF-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000409214766 534519908 /nfs/dbraw/zinc/51/99/08/534519908.db2.gz YPWSWGCYUKESEE-MTDXEUNCSA-N 0 0 397.449 6.948 40 30 GKEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000034382842 520850212 /nfs/dbraw/zinc/85/02/12/520850212.db2.gz VWIGOBCYZDKRDK-QRLHXZIHSA-N 0 0 398.675 7.987 40 30 GKEBRN CCCCOc1ccc(C=NNc2ccc(Br)cc2)cc1OCC ZINC000015008872 520854193 /nfs/dbraw/zinc/85/41/93/520854193.db2.gz NNUHPBPRJFMFOE-KGENOOAVSA-N 0 0 391.309 5.473 40 30 GKEBRN CCOc1ccc(/C=N\c2ccc3c(c2)c2nc4ccccc4nc2n3C)c(O)c1 ZINC000100736726 520857246 /nfs/dbraw/zinc/85/72/46/520857246.db2.gz JSIKZZWEDLGQBB-QFEZKATASA-N 0 0 396.450 5.130 40 30 GKEBRN CCOc1ccc(/N=C2/c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000096868682 520859065 /nfs/dbraw/zinc/85/90/65/520859065.db2.gz LQIXJXMSPOUKJH-RPKJYVOXSA-N 0 0 376.500 5.401 40 30 GKEBRN CCOc1ccc(C(=O)C(=NNc2ccc(C)cc2)c2nc3ccccc3o2)cc1 ZINC000027025190 520872190 /nfs/dbraw/zinc/87/21/90/520872190.db2.gz OWOGLYUNEJWETB-HPNDGRJYSA-N 0 0 399.450 5.234 40 30 GKEBRN Cc1oc(/N=C/c2ccccc2OCc2cccc3ccccc32)c(C#N)c1C ZINC000408958002 534535976 /nfs/dbraw/zinc/53/59/76/534535976.db2.gz XAYLJPVMIPFKTE-JFLMPSFJSA-N 0 0 380.447 6.251 40 30 GKEBRN Ic1ccccc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000408550802 534541737 /nfs/dbraw/zinc/54/17/37/534541737.db2.gz JZQMBWUDBFPEDP-KGENOOAVSA-N 0 0 383.232 5.709 40 30 GKEBRN CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000102481748 521198365 /nfs/dbraw/zinc/19/83/65/521198365.db2.gz HUXNGRZVHUKDHS-MFKUBSTISA-N 0 0 392.886 6.018 40 30 GKEBRN CCC(=O)Nc1ccc(/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000100384285 521199368 /nfs/dbraw/zinc/19/93/68/521199368.db2.gz DYGQFTKBEJSJAL-MFKUBSTISA-N 0 0 392.886 6.018 40 30 GKEBRN CCCCc1ccc(C(C)N=Nc2ccnc(SCc3ccccc3)n2)cc1 ZINC000004595762 521266791 /nfs/dbraw/zinc/26/67/91/521266791.db2.gz OQHLFJZDCIGKHZ-NLRVBDNBSA-N 0 0 390.556 5.948 40 30 GKEBRN CCOc1ccc2ccc(OCC)c(C=NN=c3[nH]c4ccccc4s3)c2c1 ZINC000038190297 521296524 /nfs/dbraw/zinc/29/65/24/521296524.db2.gz LNZCESNITGGWKK-UCQKPKSFSA-N 0 0 391.496 5.693 40 30 GKEBRN CCOC(=O)c1ccc(NC(CCSc2ccccc2)=NC(C)(C)C)cc1 ZINC000017123205 521461926 /nfs/dbraw/zinc/46/19/26/521461926.db2.gz PSQADHADUSKUIY-UHFFFAOYSA-N 0 0 384.545 5.464 40 30 GKEBRN O=C(Oc1cccc(/C=N/Cc2ccco2)c1)c1sc2ccccc2c1Cl ZINC000408719128 534568313 /nfs/dbraw/zinc/56/83/13/534568313.db2.gz GPOGQZCDQUKFDE-FSJBWODESA-N 0 0 395.867 5.986 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1C ZINC000409199713 534577949 /nfs/dbraw/zinc/57/79/49/534577949.db2.gz CVDIJVFPPRUUDM-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000409199783 534578734 /nfs/dbraw/zinc/57/87/34/534578734.db2.gz DVOJZNFANSJLBU-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccccc1 ZINC000017167430 521698509 /nfs/dbraw/zinc/69/85/09/521698509.db2.gz PLWHKCGSRJDMBE-OCIPIQTLSA-N 0 0 396.512 5.108 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N\c1ccccc1 ZINC000017081074 521698834 /nfs/dbraw/zinc/69/88/34/521698834.db2.gz ZFKWOSBYAQXQPC-OCIPIQTLSA-N 0 0 396.512 5.108 40 30 GKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000408949073 534637299 /nfs/dbraw/zinc/63/72/99/534637299.db2.gz RXGIWNCNOKZDPG-WPWMEQJKSA-N 0 0 396.877 7.295 40 30 GKEBRN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4[nH]3)c2)cc1 ZINC000409176095 534640004 /nfs/dbraw/zinc/64/00/04/534640004.db2.gz HIFJXEWNWDIGEO-YDZHTSKRSA-N 0 0 376.847 5.241 40 30 GKEBRN COc1cc(Cl)cc(/C=N\c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O ZINC000005512356 522532401 /nfs/dbraw/zinc/53/24/01/522532401.db2.gz RSLPBALGAMDKDY-KSEXSDGBSA-N 0 0 394.814 5.319 40 30 GKEBRN Clc1ccccc1COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000059417071 534649944 /nfs/dbraw/zinc/64/99/44/534649944.db2.gz HQNPZIHQYCNPKN-YDZHTSKRSA-N 0 0 376.847 5.241 40 30 GKEBRN COC1=C(OC)C(=O)C(C)C(=CC=C(C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000072399614 522650129 /nfs/dbraw/zinc/65/01/29/522650129.db2.gz XREILSQAXUAAHP-NXGXIAAHSA-N 0 0 386.532 5.768 40 30 in-vitro GKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(/N=C/c3ccccc3)n2)c(O)c1 ZINC000104314353 523086408 /nfs/dbraw/zinc/08/64/08/523086408.db2.gz MYTFQVYDIFUCFS-PCLIKHOPSA-N 0 0 381.435 5.275 40 30 GKEBRN CCn1c2ccccc2c2cc(/N=C/c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000102957296 523275720 /nfs/dbraw/zinc/27/57/20/523275720.db2.gz MLJHXVFCLAJXPL-TURZUDJPSA-N 0 0 390.486 7.357 40 30 GKEBRN COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2OC)cc1 ZINC000031166160 523399841 /nfs/dbraw/zinc/39/98/41/523399841.db2.gz GGNVSANPVOEGII-GXDHUFHOSA-N 0 0 396.483 5.126 40 30 biogenic,in-vitro GKEBRN COc1ccc(/C=C/C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 ZINC000013406612 523400326 /nfs/dbraw/zinc/40/03/26/523400326.db2.gz FXZNENPOJIKRBN-MJZABRMRSA-N 0 0 384.431 5.210 40 30 GKEBRN COc1ccc(/C=C/C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1 ZINC000005552246 523406002 /nfs/dbraw/zinc/40/60/02/523406002.db2.gz OHGLCSVSLZEULT-LFYBBSHMSA-N 0 0 395.440 5.008 40 30 GKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000059949072 523427438 /nfs/dbraw/zinc/42/74/38/523427438.db2.gz RTEAXKKVOVJRJR-DJOYVXLESA-N 0 0 390.464 5.092 40 30 GKEBRN COc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000004595635 523443670 /nfs/dbraw/zinc/44/36/70/523443670.db2.gz BXZMPJCJMSPKFH-KOEQRZSOSA-N 0 0 380.451 5.265 40 30 GKEBRN CC[C@@H]1CS/C(=N\c2cccc(OC)c2)N1Cc1ccc(Cl)cc1Cl ZINC000102887182 523520317 /nfs/dbraw/zinc/52/03/17/523520317.db2.gz NTKJMGYXVPIHBW-BWORXHKJSA-N 0 0 395.355 6.017 40 30 GKEBRN COc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1OC ZINC000100237811 523535503 /nfs/dbraw/zinc/53/55/03/523535503.db2.gz BRDZPEFRLDFJAT-OXFZHYRCSA-N 0 0 387.439 5.928 40 30 GKEBRN CCc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000033377771 523874367 /nfs/dbraw/zinc/87/43/67/523874367.db2.gz ITEJSTUOBXWBPL-UFFVCSGVSA-N 0 0 376.312 6.125 40 30 GKEBRN CCc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1 ZINC000072228590 523895501 /nfs/dbraw/zinc/89/55/01/523895501.db2.gz JZGOJOSEQPDQTN-UHFFFAOYSA-N 0 0 380.517 5.536 40 30 GKEBRN Cc1cccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000004357942 524155105 /nfs/dbraw/zinc/15/51/05/524155105.db2.gz HOXVBDNBQGLBDF-ZMOGYAJESA-N 0 0 384.262 6.272 40 30 GKEBRN N#Cc1c2c(sc1/N=C1/c3ccccc3N(Cc3ccccc3)C1=O)CCCC2 ZINC000409115181 534767008 /nfs/dbraw/zinc/76/70/08/534767008.db2.gz JDOIUJWMDWBREO-ROMGYVFFSA-N 0 0 397.503 5.166 40 30 GKEBRN Cc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1C(=O)/C=C/c1ccccc1 ZINC000017380160 524217945 /nfs/dbraw/zinc/21/79/45/524217945.db2.gz BQIHMHIITNOAKH-YXLFCKQPSA-N 0 0 380.487 6.404 40 30 GKEBRN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1 ZINC000004680272 524324823 /nfs/dbraw/zinc/32/48/23/524324823.db2.gz IVTVKOFCRNPTJS-DDRNXUABSA-N 0 0 392.528 5.087 40 30 GKEBRN COc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013303696 524325985 /nfs/dbraw/zinc/32/59/85/524325985.db2.gz LQHHRPNPDSGQRF-KOEQRZSOSA-N 0 0 380.451 5.265 40 30 GKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(O)c(Cl)c1 ZINC000408767534 534782861 /nfs/dbraw/zinc/78/28/61/534782861.db2.gz MCEYVKDEXMXHSR-NSIKDUERSA-N 0 0 399.686 5.244 40 30 GKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccccc1Cl ZINC000408750018 534782988 /nfs/dbraw/zinc/78/29/88/534782988.db2.gz WGMJMFJORFTKGH-VGOFMYFVSA-N 0 0 383.687 5.538 40 30 GKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000408962227 534783301 /nfs/dbraw/zinc/78/33/01/534783301.db2.gz 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527662448 /nfs/dbraw/zinc/66/24/48/527662448.db2.gz GBYRYFBNAIZJTO-SOYKGTTHSA-N 0 0 396.877 6.100 40 30 GKEBRN O=C(/N=C1\c2ccccc2CN1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012559920 527662746 /nfs/dbraw/zinc/66/27/46/527662746.db2.gz IPSKJGLTNAICHP-LKUDQCMESA-N 0 0 396.277 5.992 40 30 GKEBRN O=C(/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000012576850 527662773 /nfs/dbraw/zinc/66/27/73/527662773.db2.gz QFDZXZJPTUVBFW-NHFJDJAPSA-N 0 0 398.359 5.452 40 30 GKEBRN FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)F)n(-c2ccccc2)n1 ZINC000095682121 527679824 /nfs/dbraw/zinc/67/98/24/527679824.db2.gz VGGSGZKRTOUGOP-UHFFFAOYSA-N 0 0 380.185 5.181 40 30 GKEBRN CC(C)OC(=O)COc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1 ZINC000409186851 527796455 /nfs/dbraw/zinc/79/64/55/527796455.db2.gz IPTBWDNIPBGMFL-PCLIKHOPSA-N 0 0 379.500 5.815 40 30 GKEBRN CC(C)CN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(Cl)cc1 ZINC000409079425 527956431 /nfs/dbraw/zinc/95/64/31/527956431.db2.gz FUBFKZNQFWWKEM-OADBCFLWSA-N 0 0 386.904 5.306 40 30 GKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408749791 528056958 /nfs/dbraw/zinc/05/69/58/528056958.db2.gz UJHMFEVGXZINJW-RQZCQDPDSA-N 0 0 391.323 6.008 40 30 GKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(Br)cc3)cc21 ZINC000223496340 528096288 /nfs/dbraw/zinc/09/62/88/528096288.db2.gz MCECXGRQFKLKBG-ZVHZXABRSA-N 0 0 397.360 6.610 40 30 GKEBRN CCOC(=O)c1c(/N=C\c2ccccc2O[C@H](C)CC)sc2c1CCCC2 ZINC000408603417 528117420 /nfs/dbraw/zinc/11/74/20/528117420.db2.gz QRWGKRYRTMUZHV-JNCAFBRLSA-N 0 0 385.529 5.732 40 30 GKEBRN CCCCCCCC(=O)NCCC[C@@H](C)Nc1cc(OC)cc2cccnc21 ZINC000008214436 528119430 /nfs/dbraw/zinc/11/94/30/528119430.db2.gz ZJIPRNQITXJYCK-GOSISDBHSA-N 0 0 385.552 5.301 40 30 GKEBRN CCCCCCCCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000408707542 528123000 /nfs/dbraw/zinc/12/30/00/528123000.db2.gz OFKAVUIDICVAEF-UHFFFAOYSA-N 0 0 388.596 5.463 40 30 GKEBRN CCCCCCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408732021 528123050 /nfs/dbraw/zinc/12/30/50/528123050.db2.gz ODHJHEJMQDJEFQ-UHFFFAOYSA-N 0 0 389.668 7.553 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1Cl ZINC000100355231 528124725 /nfs/dbraw/zinc/12/47/25/528124725.db2.gz ZZMCBVREEMYMJO-QJOMJCCJSA-N 0 0 382.017 6.059 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1Cl ZINC000100355235 528124789 /nfs/dbraw/zinc/12/47/89/528124789.db2.gz ZZMCBVREEMYMJO-HAVVHWLPSA-N 0 0 382.017 6.059 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1 ZINC000100355373 528125246 /nfs/dbraw/zinc/12/52/46/528125246.db2.gz AGNSAOLOMRJRMB-QJOMJCCJSA-N 0 0 382.017 6.059 40 30 GKEBRN CCCCCCCCCCCOC(=O)NC(=S)c1cccc2ccccc21 ZINC000408733055 528125516 /nfs/dbraw/zinc/12/55/16/528125516.db2.gz VHOADUVVNKZGEV-UHFFFAOYSA-N 0 0 385.573 6.772 40 30 GKEBRN CCCCCCCCCCNc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000100921637 528126788 /nfs/dbraw/zinc/12/67/88/528126788.db2.gz MAABAUKMVBLBFO-UHFFFAOYSA-N 0 0 381.516 6.271 40 30 GKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000408585469 528133037 /nfs/dbraw/zinc/13/30/37/528133037.db2.gz FIBZSIAXGNUDPB-UHFFFAOYSA-N 0 0 375.512 6.831 40 30 GKEBRN CCCCCCCCOc1ccc(C=C2SC(=S)NC2=O)cc1OCC ZINC000408538841 528133219 /nfs/dbraw/zinc/13/32/19/528133219.db2.gz CJESXXWYUOIDFV-NBVRZTHBSA-N 0 0 393.574 5.313 40 30 GKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000408737371 528133986 /nfs/dbraw/zinc/13/39/86/528133986.db2.gz MYAORPVKMHTCBO-SILNSSARSA-N 0 0 397.902 6.034 40 30 GKEBRN CCOC(=O)c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl ZINC000409368571 528135126 /nfs/dbraw/zinc/13/51/26/528135126.db2.gz CJDVXGMDOZNPMZ-FOWTUZBSSA-N 0 0 392.838 5.599 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C ZINC000408560559 528138473 /nfs/dbraw/zinc/13/84/73/528138473.db2.gz KTRKMSMVGRDBQE-UHFFFAOYSA-N 0 0 394.972 5.021 40 30 GKEBRN CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1CC ZINC000408561041 528139485 /nfs/dbraw/zinc/13/94/85/528139485.db2.gz WHBGAIOAGNAAKA-UHFFFAOYSA-N 0 0 388.581 5.159 40 30 GKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409080277 528143523 /nfs/dbraw/zinc/14/35/23/528143523.db2.gz MQZXQDZNQRLDLK-GFEOOXAPSA-N 0 0 394.584 6.556 40 30 GKEBRN CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccccc2)NC1=O ZINC000408880293 528148117 /nfs/dbraw/zinc/14/81/17/528148117.db2.gz HDHLDZRWWTVYPE-SILNSSARSA-N 0 0 380.513 5.537 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409081602 528153342 /nfs/dbraw/zinc/15/33/42/528153342.db2.gz QJPYTPUSBTVIJH-CHHVJCJISA-N 0 0 396.657 5.542 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409088889 528153374 /nfs/dbraw/zinc/15/33/74/528153374.db2.gz HLVSJKLFWBDZGM-MLPAPPSSSA-N 0 0 380.202 5.028 40 30 GKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409088771 528153815 /nfs/dbraw/zinc/15/38/15/528153815.db2.gz GWASRJVGLNRJPP-CHHVJCJISA-N 0 0 380.202 5.028 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408939018 528154270 /nfs/dbraw/zinc/15/42/70/528154270.db2.gz LNCSSCTZQXFMSF-MKMNVTDBSA-N 0 0 396.657 5.542 40 30 GKEBRN CCCN1C(=O)/C(=C/c2ccc(C)s2)S/C1=N/c1ccc(Cl)cc1 ZINC000409085104 528161844 /nfs/dbraw/zinc/16/18/44/528161844.db2.gz NTJWEPOGZYIVIW-FMIVOPDJSA-N 0 0 376.934 5.724 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408907325 528163225 /nfs/dbraw/zinc/16/32/25/528163225.db2.gz BCJBRWWPQJARFA-NVZLDUMVSA-N 0 0 378.541 6.132 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408916045 528163236 /nfs/dbraw/zinc/16/32/36/528163236.db2.gz UDOJFZNYWCUZHO-NFYBBCHUSA-N 0 0 395.484 5.226 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408916414 528163263 /nfs/dbraw/zinc/16/32/63/528163263.db2.gz XGCAOKRUYMUTSI-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN CCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408911308 528163642 /nfs/dbraw/zinc/16/36/42/528163642.db2.gz JWTYHPPKKKBFHL-NVZLDUMVSA-N 0 0 394.540 5.796 40 30 GKEBRN CCCN1C(=O)/C(=C\c2cccc(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408914308 528163963 /nfs/dbraw/zinc/16/39/63/528163963.db2.gz NTZVGHRSYMGNAW-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 ZINC000100212031 528195551 /nfs/dbraw/zinc/19/55/51/528195551.db2.gz KNWMYACGBAZJEL-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 ZINC000100212100 528195716 /nfs/dbraw/zinc/19/57/16/528195716.db2.gz IXLXLNORIKXUCJ-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409241107 528195898 /nfs/dbraw/zinc/19/58/98/528195898.db2.gz RFPBQNWYIVEQCM-LFVJCYFKSA-N 0 0 375.493 6.074 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)cc1 ZINC000408781906 528196025 /nfs/dbraw/zinc/19/60/25/528196025.db2.gz CWOOHTQNZCBCLY-AFUMVMLFSA-N 0 0 378.447 5.469 40 30 GKEBRN CCOC(=O)c1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 ZINC000409387770 528196141 /nfs/dbraw/zinc/19/61/41/528196141.db2.gz QKFCBUIYUHFXDF-JMKVTYIUSA-N 0 0 389.879 5.453 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(OC)cc3)c2C)cc1 ZINC000100212167 528196356 /nfs/dbraw/zinc/19/63/56/528196356.db2.gz VUHYUXJMGFFQPF-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOc1cc(C#N)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408537422 528203957 /nfs/dbraw/zinc/20/39/57/528203957.db2.gz DXPLDXCFDPYMLT-UHFFFAOYSA-N 0 0 386.713 5.330 40 30 GKEBRN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)NC1=O ZINC000408529482 528210510 /nfs/dbraw/zinc/21/05/10/528210510.db2.gz IGAQEKLYQIEQPU-STZFKDTASA-N 0 0 388.492 5.519 40 30 GKEBRN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000408628850 528218005 /nfs/dbraw/zinc/21/80/05/528218005.db2.gz DKZYVWDFGPZXHQ-INIZCTEOSA-N 0 0 396.556 5.810 40 30 GKEBRN CC(C)Oc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409089093 528245906 /nfs/dbraw/zinc/24/59/06/528245906.db2.gz HEYCQFAJWNQLRD-YSGZUTGPSA-N 0 0 380.557 6.309 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3oc(C)c(C)c3C#N)c2C)c1 ZINC000408592464 528246170 /nfs/dbraw/zinc/24/61/70/528246170.db2.gz YHZQARFROQBVQD-DHRITJCHSA-N 0 0 389.455 5.103 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)c1 ZINC000408965906 528246406 /nfs/dbraw/zinc/24/64/06/528246406.db2.gz JSHZWIBNKBPUMC-AFUMVMLFSA-N 0 0 394.902 5.983 40 30 GKEBRN CCOC(=O)c1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000408723197 528247094 /nfs/dbraw/zinc/24/70/94/528247094.db2.gz PAWLAUFNXLPLRG-LPYMAVHISA-N 0 0 391.452 5.179 40 30 GKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C ZINC000408692818 528257663 /nfs/dbraw/zinc/25/76/63/528257663.db2.gz WDLIFIJVBBTAOB-CCEZHUSRSA-N 0 0 387.479 5.475 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408738128 528293178 /nfs/dbraw/zinc/29/31/78/528293178.db2.gz PBKLJTGFYMHHCR-PCLIKHOPSA-N 0 0 379.935 6.344 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000408737142 528293328 /nfs/dbraw/zinc/29/33/28/528293328.db2.gz LBXGZZLGXRBJOP-NHFJDJAPSA-N 0 0 394.522 6.136 40 30 GKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 ZINC000408749793 528293568 /nfs/dbraw/zinc/29/35/68/528293568.db2.gz UJTYSRMCCKZAJP-LDADJPATSA-N 0 0 385.920 5.078 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000059501484 528293774 /nfs/dbraw/zinc/29/37/74/528293774.db2.gz IFROMIYLNUROSP-OGLMXYFKSA-N 0 0 397.566 6.420 40 30 GKEBRN CCN(CC)c1ccc(/C=N\c2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 ZINC000409043721 528293894 /nfs/dbraw/zinc/29/38/94/528293894.db2.gz ADBGVFOJCXAKOM-UCQKPKSFSA-N 0 0 377.513 5.320 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000059427189 528293903 /nfs/dbraw/zinc/29/39/03/528293903.db2.gz HBDRJIUUWPGPJH-LFVJCYFKSA-N 0 0 390.487 5.599 40 30 GKEBRN CCCN1c2ccccc2/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O ZINC000409116776 528330473 /nfs/dbraw/zinc/33/04/73/528330473.db2.gz LRLYEENUXWTHTJ-KQWNVCNZSA-N 0 0 394.474 5.434 40 30 GKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccc(OC)cc3)cc1)OCO2 ZINC000409094465 528338589 /nfs/dbraw/zinc/33/85/89/528338589.db2.gz DGSQCFRJUKACCG-OYKKKHCWSA-N 0 0 391.423 5.366 40 30 GKEBRN CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c2ccccc12 ZINC000408981157 528351439 /nfs/dbraw/zinc/35/14/39/528351439.db2.gz UYCQTFVOGYXOJY-UHFFFAOYSA-N 0 0 379.463 5.560 40 30 GKEBRN CCOc1ccc(/C=N\c2cc(C)ccc2C)cc1I ZINC000408904490 528373987 /nfs/dbraw/zinc/37/39/87/528373987.db2.gz KHFWRAWXKCOARG-ODLFYWEKSA-N 0 0 379.241 5.057 40 30 GKEBRN CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409213255 528374065 /nfs/dbraw/zinc/37/40/65/528374065.db2.gz TUCSIHVFWYGTQI-XYGWBWBKSA-N 0 0 388.467 5.162 40 30 GKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409082407 528374420 /nfs/dbraw/zinc/37/44/20/528374420.db2.gz LYNXITRSFFMMER-MMDHUZEPSA-N 0 0 396.556 5.929 40 30 GKEBRN CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1I ZINC000408905301 528374769 /nfs/dbraw/zinc/37/47/69/528374769.db2.gz WUQVUXGJWZTSRS-VXLYETTFSA-N 0 0 399.659 5.402 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccccc2OCC)S/C1=N\c1ccc(C)cc1 ZINC000408907935 528449534 /nfs/dbraw/zinc/44/95/34/528449534.db2.gz CMVBHZXSIACALP-RERTVAKNSA-N 0 0 394.540 5.798 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 ZINC000408908504 528450047 /nfs/dbraw/zinc/45/00/47/528450047.db2.gz FKCATLWLUMTLNY-KLPPEWMLSA-N 0 0 395.484 5.307 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408913590 528450416 /nfs/dbraw/zinc/45/04/16/528450416.db2.gz NAOLWPLICCXXJT-ZIGJTDFESA-N 0 0 384.932 6.053 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O ZINC000409094604 528470789 /nfs/dbraw/zinc/47/07/89/528470789.db2.gz DSCPBOBNJYGSIL-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2OC)cc1 ZINC000409097976 528471527 /nfs/dbraw/zinc/47/15/27/528471527.db2.gz OZMDJPHAJDKGFY-BUVRLJJBSA-N 0 0 381.859 6.290 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C)c2C)NC1=O ZINC000409096828 528471570 /nfs/dbraw/zinc/47/15/70/528471570.db2.gz KTBDSUJHTTZYIJ-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408824002 528471611 /nfs/dbraw/zinc/47/16/11/528471611.db2.gz OYGQVDABSXNVJL-YBEGLDIGSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1ccc(Cl)c(Cl)c1 ZINC000409188553 528542365 /nfs/dbraw/zinc/54/23/65/528542365.db2.gz DBFVYQDSWDLZCH-YBEGLDIGSA-N 0 0 398.673 5.389 40 30 GKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C(C)C)cc2)C1=O ZINC000408996289 528619146 /nfs/dbraw/zinc/61/91/46/528619146.db2.gz HEGZSUCOGBFXLC-RGEXLXHISA-N 0 0 393.508 5.354 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)c1 ZINC000408905638 528625539 /nfs/dbraw/zinc/62/55/39/528625539.db2.gz BUONTWOGEVBVJW-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN CCOc1cccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)c1 ZINC000408905884 528626538 /nfs/dbraw/zinc/62/65/38/528626538.db2.gz GAMGYHXNVGWWJZ-XGHAMVSDSA-N 0 0 380.513 5.326 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1 ZINC000408739682 528640723 /nfs/dbraw/zinc/64/07/23/528640723.db2.gz ZKBINXFLRGXVGL-WQRHYEAKSA-N 0 0 386.904 5.329 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 ZINC000408907966 528641410 /nfs/dbraw/zinc/64/14/10/528641410.db2.gz CUIIVGIXCHCPBU-NVZLDUMVSA-N 0 0 394.540 5.796 40 30 GKEBRN CCCCOc1ccc(/C=N/c2nc3c(s2)COc2cc(OC)ccc2-3)cc1 ZINC000408723504 528657196 /nfs/dbraw/zinc/65/71/96/528657196.db2.gz VUSBKDRMWYDWFD-YDZHTSKRSA-N 0 0 394.496 5.641 40 30 GKEBRN CCCCOc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 ZINC000409014748 528690285 /nfs/dbraw/zinc/69/02/85/528690285.db2.gz YIUJEDVEIJXOJY-SGWCAAJKSA-N 0 0 394.518 7.191 40 30 GKEBRN CCCOc1ccc2ccccc2c1-c1c(C#N)c(N)ncc1-c1ccccc1 ZINC000408978340 528730723 /nfs/dbraw/zinc/73/07/23/528730723.db2.gz IICRNRXTCOXVGD-UHFFFAOYSA-N 0 0 379.463 5.642 40 30 GKEBRN CCCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc21 ZINC000409048355 528809643 /nfs/dbraw/zinc/80/96/43/528809643.db2.gz OBAKLXFXEOXMHS-OVVQPSECSA-N 0 0 383.539 6.352 40 30 GKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)N1CC ZINC000408930529 528829612 /nfs/dbraw/zinc/82/96/12/528829612.db2.gz YEOTUVPRXXOBOS-IZSQXYTLSA-N 0 0 395.572 5.530 40 30 GKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)N1CC ZINC000408928552 528830076 /nfs/dbraw/zinc/83/00/76/528830076.db2.gz CICBSCUXDZPZDR-LMDBJESCSA-N 0 0 387.936 5.060 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930078 528943086 /nfs/dbraw/zinc/94/30/86/528943086.db2.gz RUWQICMQGSTNIL-AVBTWHCCSA-N 0 0 391.540 5.301 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409238774 528944356 /nfs/dbraw/zinc/94/43/56/528944356.db2.gz NTFPALIOMQYEEZ-SAPPFYIZSA-N 0 0 397.544 5.318 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408906439 528944534 /nfs/dbraw/zinc/94/45/34/528944534.db2.gz JKNPFSYUMGCCBK-NFEGURHZSA-N 0 0 394.540 5.715 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1cc(C)ccc1C ZINC000408912866 528944594 /nfs/dbraw/zinc/94/45/94/528944594.db2.gz RTCUMUPMNVRHLQ-AUCMGLCLSA-N 0 0 386.904 5.286 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409253348 528945640 /nfs/dbraw/zinc/94/56/40/528945640.db2.gz UBKVMKJVERCZTO-ATAQLJSPSA-N 0 0 398.503 5.484 40 30 GKEBRN CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 ZINC000409156418 528945684 /nfs/dbraw/zinc/94/56/84/528945684.db2.gz FSLXQYVWRPGPAD-IZSQXYTLSA-N 0 0 389.524 5.846 40 30 GKEBRN CC(C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000408906473 528968938 /nfs/dbraw/zinc/96/89/38/528968938.db2.gz BTPDYZYQQYIZME-PDHVABIUSA-N 0 0 391.323 6.006 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2Cl)cc1OC ZINC000409384546 529186748 /nfs/dbraw/zinc/18/67/48/529186748.db2.gz CXYYNWKCNUZRAB-NQWZYWRBSA-N 0 0 386.706 6.583 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(OC)c(Cl)c2)cc1OC ZINC000409387251 529186787 /nfs/dbraw/zinc/18/67/87/529186787.db2.gz OYBQTMPIIMIRRF-JHAVZTMOSA-N 0 0 382.287 5.939 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2C)cc1OC ZINC000409385114 529186826 /nfs/dbraw/zinc/18/68/26/529186826.db2.gz HOTXSMVQLZSGFU-XMTZNVEYSA-N 0 0 389.879 5.372 40 30 GKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000408859571 529273975 /nfs/dbraw/zinc/27/39/75/529273975.db2.gz YGYDVHLNJKKMBW-PFRBSUFTSA-N 0 0 381.317 6.504 40 30 GKEBRN CC[C@H](C)n1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c21 ZINC000409033283 529285023 /nfs/dbraw/zinc/28/50/23/529285023.db2.gz KQUOAKILXBHVTK-FNVGFWRISA-N 0 0 397.566 6.913 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2O)S/C1=N\c1ccc(C)cc1 ZINC000408915943 529349680 /nfs/dbraw/zinc/34/96/80/529349680.db2.gz SEUADHGJCKIBFS-BMTLBDRPSA-N 0 0 396.512 5.112 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408907328 529349920 /nfs/dbraw/zinc/34/99/20/529349920.db2.gz BCNNYQMBPCNVJH-SGOKGXKRSA-N 0 0 380.513 5.406 40 30 GKEBRN C=CCOc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010338032 570229967 /nfs/dbraw/zinc/22/99/67/570229967.db2.gz QVDDMGRHOWROKF-UHFFFAOYSA-N 0 0 375.493 5.796 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4ccccc4c3)c2C)cc1 ZINC000001091620 570241291 /nfs/dbraw/zinc/24/12/91/570241291.db2.gz LPLWWJKASFUWPW-WGOQTCKBSA-N 0 0 382.463 5.785 40 30 GKEBRN COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccco1)C2 ZINC000020274801 570251382 /nfs/dbraw/zinc/25/13/82/570251382.db2.gz RQTHYXYXODOEIN-IZHWHUGBSA-N 0 0 386.451 5.268 40 30 GKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000208246620 570255123 /nfs/dbraw/zinc/25/51/23/570255123.db2.gz PMELABXPCSSTQY-UMYHVIPVSA-N 0 0 386.883 5.416 40 30 GKEBRN CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001561034 570264697 /nfs/dbraw/zinc/26/46/97/570264697.db2.gz XQYTVFLVFSAPOV-VGOFMYFVSA-N 0 0 381.428 5.367 40 30 GKEBRN O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C\c1ccc(Cl)cc1Cl ZINC000001564426 570264842 /nfs/dbraw/zinc/26/48/42/570264842.db2.gz CTSYKSQPDJGUFN-CPNJWEJPSA-N 0 0 377.270 6.571 40 30 GKEBRN COC1=C(OC)C(=O)C(SCCCCCCC2CCCCC2)=C(C)C1=O ZINC000001767806 570268107 /nfs/dbraw/zinc/26/81/07/570268107.db2.gz ZVABPKGKZDKOHE-UHFFFAOYSA-N 0 0 380.550 5.181 40 30 GKEBRN CCCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001865418 570269789 /nfs/dbraw/zinc/26/97/89/570269789.db2.gz MARKPUQARGCNOV-UHFFFAOYSA-N 0 0 381.516 6.749 40 30 GKEBRN C[C@H]1C/C(=N\NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)C1 ZINC000005834985 570274156 /nfs/dbraw/zinc/27/41/56/570274156.db2.gz CPWRAWFFVIGDHR-LEYZNHRBSA-N 0 0 391.890 5.847 40 30 GKEBRN Clc1cc(Cl)c(N=NC(c2ncns2)c2ccccc2)c(Cl)c1 ZINC000005899065 570274545 /nfs/dbraw/zinc/27/45/45/570274545.db2.gz SXLXXTWYDJSOIL-BKUYFWCQSA-N 0 0 383.691 5.363 40 30 GKEBRN CCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] ZINC000137504382 570277667 /nfs/dbraw/zinc/27/76/67/570277667.db2.gz JVQPXFSGBOXRHZ-UHFFFAOYSA-O 0 0 378.643 5.432 40 30 GKEBRN CCOc1cccc(/C=N\c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000100922964 570279172 /nfs/dbraw/zinc/27/91/72/570279172.db2.gz RXNVRCTVYGKSJM-OYKKKHCWSA-N 0 0 388.492 6.127 40 30 GKEBRN CCCCCCCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000002248943 570280486 /nfs/dbraw/zinc/28/04/86/570280486.db2.gz MZMQMGDDPDARRF-LTGZKZEYSA-N 0 0 381.447 5.519 40 30 GKEBRN Cc1ccc(C)c(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 ZINC000035288892 570281099 /nfs/dbraw/zinc/28/10/99/570281099.db2.gz XESFSPRKMMHIDB-UHFFFAOYSA-N 0 0 389.524 5.578 40 30 GKEBRN Cc1ccc2nc(-c3ccc(/N=C\c4ccc(Cl)c(Cl)c4)cc3)sc2c1 ZINC000101206333 570281821 /nfs/dbraw/zinc/28/18/21/570281821.db2.gz FKQNYALAUMOZNB-MSXFZWOLSA-N 0 0 397.330 7.329 40 30 GKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2C)c2ccccc12 ZINC000020763583 570282856 /nfs/dbraw/zinc/28/28/56/570282856.db2.gz HVLGZYBWAZTTPD-OGLMXYFKSA-N 0 0 397.522 5.439 40 30 GKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000020763428 570282971 /nfs/dbraw/zinc/28/29/71/570282971.db2.gz VMHVZZWLAFTBEZ-MTDXEUNCSA-N 0 0 396.490 5.551 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1F ZINC000015911824 570288760 /nfs/dbraw/zinc/28/87/60/570288760.db2.gz PEPWPVLOKDTMPB-PYCFMQQDSA-N 0 0 379.287 6.081 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1Cl ZINC000015912429 570288922 /nfs/dbraw/zinc/28/89/22/570288922.db2.gz FKBJMJMLKLJCKL-PYCFMQQDSA-N 0 0 395.742 6.595 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000223584813 570297029 /nfs/dbraw/zinc/29/70/29/570297029.db2.gz IQGBAQWSSXOORI-CCRNYGKSSA-N 0 0 384.545 5.329 40 30 GKEBRN COc1cc(/C=N\c2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1 ZINC000104160203 570298550 /nfs/dbraw/zinc/29/85/50/570298550.db2.gz VAPQJLSTGSTPPE-OYKKKHCWSA-N 0 0 379.843 5.627 40 30 GKEBRN Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1C ZINC000104160169 570298633 /nfs/dbraw/zinc/29/86/33/570298633.db2.gz ITBKMMTZWKUKGM-MXAYSNPKSA-N 0 0 398.289 6.580 40 30 GKEBRN CCCCCCCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104183172 570298780 /nfs/dbraw/zinc/29/87/80/570298780.db2.gz ZPNJCPMKFBBQHB-SILNSSARSA-N 0 0 378.473 6.212 40 30 GKEBRN CCCCCCCCCCCCCCCCCCn1cnc2c1ncnc2N ZINC000104196744 570299166 /nfs/dbraw/zinc/29/91/66/570299166.db2.gz AMFVTCHMGYXZSW-UHFFFAOYSA-N 0 0 387.616 6.670 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 ZINC000003061001 570299593 /nfs/dbraw/zinc/29/95/93/570299593.db2.gz PPPCGUKBNOCKKL-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN C[C@@]1(c2ccccc2)CCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104234909 570299775 /nfs/dbraw/zinc/29/97/75/570299775.db2.gz MULHDGTUHCRWOZ-UUZBPDLYSA-N 0 0 382.420 5.193 40 30 GKEBRN C[C@]1(c2ccccc2)CCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104234902 570299866 /nfs/dbraw/zinc/29/98/66/570299866.db2.gz MULHDGTUHCRWOZ-VZFXBBDVSA-N 0 0 382.420 5.193 40 30 GKEBRN CCCCCCCCCCCC[N+](C)(CCS(=O)(=O)[O-])Cc1ccccc1 ZINC000104242218 570300078 /nfs/dbraw/zinc/30/00/78/570300078.db2.gz XPGKXGKYEQDKKA-UHFFFAOYSA-O 0 0 398.633 5.442 40 30 GKEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/N=N\c1cc(Cl)ccc1Cl ZINC000104283881 570300877 /nfs/dbraw/zinc/30/08/77/570300877.db2.gz YOLIPHNSVNCXLF-IZHYLOQSSA-N 0 0 386.286 6.351 40 30 GKEBRN CN1c2ccccc2C(C)(C)/C1=C/C=C\C=C/C=C1C(=O)c2ccccc2C1=O ZINC000104315868 570301241 /nfs/dbraw/zinc/30/12/41/570301241.db2.gz MGZOKNHCACVLNG-VBBLTOCVSA-N 0 0 381.475 5.416 40 30 GKEBRN O=C(C=Cc1ccccc1)C(C(=O)c1ccccc1)=C([O-])C=Cc1ccccc1 ZINC000104345356 570301585 /nfs/dbraw/zinc/30/15/85/570301585.db2.gz ZMDNJCKNYGMXBO-YGGBKCGDSA-N 0 0 380.443 5.051 40 30 GKEBRN CCCCCCCCCCCCSC(=O)c1ccc(Cl)c(Cl)c1 ZINC000104357538 570301964 /nfs/dbraw/zinc/30/19/64/570301964.db2.gz QTGPKGZRZQXQQZ-UHFFFAOYSA-N 0 0 375.405 7.788 40 30 GKEBRN CCCCCCCCCCC(=O)N([C@@H](C)CC(C)C)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104359773 570301966 /nfs/dbraw/zinc/30/19/66/570301966.db2.gz HGOJUIFXBFNCIA-SGNDLWITSA-N 0 0 393.700 7.995 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OCC ZINC000104373356 570302216 /nfs/dbraw/zinc/30/22/16/570302216.db2.gz MRNRWCUZSUEKLV-CLCOLTQESA-N 0 0 391.625 5.804 40 30 GKEBRN C/C=C(C)\C=N/NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376656 570302228 /nfs/dbraw/zinc/30/22/28/570302228.db2.gz ZVKYLBOYIWAGJU-WNKSYRNESA-N 0 0 381.674 6.884 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C\C(C)=C/c1ccccc1 ZINC000104386653 570302247 /nfs/dbraw/zinc/30/22/47/570302247.db2.gz BWONBQIZMOWFQC-NILMZRHTSA-N 0 0 387.637 6.461 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)SC1=S ZINC000208228479 570309666 /nfs/dbraw/zinc/30/96/66/570309666.db2.gz FZOBFIQLGOITRD-DZBQEORWSA-N 0 0 386.586 5.104 40 30 GKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3cccc(C)c3C)c(C#N)cc2c1 ZINC000004849150 570319189 /nfs/dbraw/zinc/31/91/89/570319189.db2.gz ZQGHGCHWWSQMMB-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CCCCCCCCC[C@@H](CC(=O)CCc1ccc(O)c(OC)c1)OCC ZINC000584908952 570319232 /nfs/dbraw/zinc/31/92/32/570319232.db2.gz IIMWZRCCMNNCLQ-NRFANRHFSA-N 0 0 378.553 5.838 40 30 biogenic,in-vitro GKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000004849189 570319404 /nfs/dbraw/zinc/31/94/04/570319404.db2.gz JYMYRCQEMWHOIL-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN C=CCOc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000408574040 570327389 /nfs/dbraw/zinc/32/73/89/570327389.db2.gz HPUKELJYQYEMNB-UHFFFAOYSA-N 0 0 375.493 5.796 40 30 GKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C#N)cc3F)sc2C1 ZINC000408629080 570348885 /nfs/dbraw/zinc/34/88/85/570348885.db2.gz LSZZCKQXPPSJGD-ZDUSSCGKSA-N 0 0 381.476 5.034 40 30 GKEBRN Cc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1-c1cc2ccccc2oc1=O ZINC000408629189 570348905 /nfs/dbraw/zinc/34/89/05/570348905.db2.gz OROLUVUIQGIBJT-UHFFFAOYSA-N 0 0 398.393 5.032 40 30 GKEBRN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 ZINC000408629046 570348984 /nfs/dbraw/zinc/34/89/84/570348984.db2.gz JQMZEICCBKOHTG-CYBMUJFWSA-N 0 0 386.948 5.985 40 30 GKEBRN O=C(/C=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21)c1ccccc1 ZINC000408617665 570350743 /nfs/dbraw/zinc/35/07/43/570350743.db2.gz BBWQVDLWYFKWAR-FOCLMDBBSA-N 0 0 398.889 6.968 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000408619817 570350988 /nfs/dbraw/zinc/35/09/88/570350988.db2.gz HUATVJIXYQCGSN-MDWZMJQESA-N 0 0 380.285 5.753 40 30 GKEBRN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1 ZINC000408619893 570351276 /nfs/dbraw/zinc/35/12/76/570351276.db2.gz CZGUBIHMHPDATO-UHFFFAOYSA-N 0 0 385.398 5.320 40 30 GKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(F)c1 ZINC000408621409 570351535 /nfs/dbraw/zinc/35/15/35/570351535.db2.gz MEFLFBDIJPTBHP-UHFFFAOYSA-N 0 0 391.789 5.411 40 30 GKEBRN CC(=O)[C@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118917726 570351872 /nfs/dbraw/zinc/35/18/72/570351872.db2.gz OAICPORQJIVREU-XEFUGDOASA-N 0 0 382.588 6.140 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC(=C1Nc3ccccc3N1)C2=O ZINC000118917016 570351943 /nfs/dbraw/zinc/35/19/43/570351943.db2.gz LSAJYPFOWSXELJ-ZVRFXKKLSA-N 0 0 390.571 6.347 40 30 GKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(F)c1 ZINC000408621990 570351954 /nfs/dbraw/zinc/35/19/54/570351954.db2.gz OLQHRSKLKSASBX-UHFFFAOYSA-N 0 0 391.789 5.411 40 30 GKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915897 570352026 /nfs/dbraw/zinc/35/20/26/570352026.db2.gz WDIPFMUQXPGENA-HUDCFXSHSA-N 0 0 386.576 5.724 40 30 GKEBRN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccccc3Cl)on1)CCCC2 ZINC000000815187 570355794 /nfs/dbraw/zinc/35/57/94/570355794.db2.gz SROXLDKWCFVHSE-UHFFFAOYSA-N 0 0 383.860 5.059 40 30 GKEBRN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000006278660 570356312 /nfs/dbraw/zinc/35/63/12/570356312.db2.gz FBFGEEHADPMBSU-AWEZNQCLSA-N 0 0 397.500 5.240 40 30 GKEBRN CC(C)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000072408181 570357194 /nfs/dbraw/zinc/35/71/94/570357194.db2.gz SGSHBMOMHVAQLF-VHVWWYSBSA-N 0 0 386.322 5.754 40 30 GKEBRN CN(C)c1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004235623 570363904 /nfs/dbraw/zinc/36/39/04/570363904.db2.gz SFGOOSWDDPIWLN-XMMPIXPASA-N 0 0 396.534 6.106 40 30 GKEBRN Cc1nc(C(C#N)=NNc2ccc(Cl)cc2)sc1N=Nc1ccccc1 ZINC000004292800 570365725 /nfs/dbraw/zinc/36/57/25/570365725.db2.gz QOBOSTCUKSCXSH-HWFUBKEOSA-N 0 0 380.864 5.860 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2OCc1ccccc1 ZINC000004292938 570365794 /nfs/dbraw/zinc/36/57/94/570365794.db2.gz QEMRLLBWDDHJTM-FRSCJGFNSA-N 0 0 376.540 5.880 40 30 GKEBRN Cc1cccc(C)c1/N=C1\C2=CC=CC3=CC=C[C@@H](\C1=N/c1c(C)cccc1C)[C@H]23 ZINC000004293454 570366094 /nfs/dbraw/zinc/36/60/94/570366094.db2.gz YPOGTCIJJHJVON-GMXYDDLRSA-N 0 0 390.530 7.004 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O ZINC000118919515 570367680 /nfs/dbraw/zinc/36/76/80/570367680.db2.gz XVNNBSPKVRWTLT-ZVWCKUMYSA-N 0 0 378.556 5.653 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C/c1ccccc1)C2=O ZINC000118919516 570367724 /nfs/dbraw/zinc/36/77/24/570367724.db2.gz 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570406981 /nfs/dbraw/zinc/40/69/81/570406981.db2.gz WJUALALUQYIZLR-ZVHZXABRSA-N 0 0 395.344 6.731 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C ZINC000408776504 570409054 /nfs/dbraw/zinc/40/90/54/570409054.db2.gz PHWVVBKTFGFFAW-ZMOGYAJESA-N 0 0 380.875 5.593 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@H]21 ZINC000004887105 570415658 /nfs/dbraw/zinc/41/56/58/570415658.db2.gz CWLSXLGVSRANSC-WWJIMDIASA-N 0 0 392.583 6.060 40 30 GKEBRN COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000004903633 570416725 /nfs/dbraw/zinc/41/67/25/570416725.db2.gz UBCBJAQTMJGCMY-FOCLMDBBSA-N 0 0 381.431 5.100 40 30 GKEBRN C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224656559 570423282 /nfs/dbraw/zinc/42/32/82/570423282.db2.gz GTDFXKANRQEXQR-UHFFFAOYSA-N 0 0 393.508 5.052 40 30 GKEBRN Fc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780512 570423438 /nfs/dbraw/zinc/42/34/38/570423438.db2.gz 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GKEBRN C=CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1OC ZINC000008111029 570466077 /nfs/dbraw/zinc/46/60/77/570466077.db2.gz JRRLQFSPKULLBL-UHFFFAOYSA-N 0 0 376.275 5.299 40 30 GKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223500891 570468579 /nfs/dbraw/zinc/46/85/79/570468579.db2.gz LKBJTQYHDSZAFP-ZVHZXABRSA-N 0 0 392.503 5.760 40 30 GKEBRN Cc1cc2c(cc1C=C1C(=O)c3ccccc3C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223509036 570469104 /nfs/dbraw/zinc/46/91/04/570469104.db2.gz DJEBUEYQWZLNNL-UHFFFAOYSA-N 0 0 385.507 5.868 40 30 GKEBRN Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223521596 570469442 /nfs/dbraw/zinc/46/94/42/570469442.db2.gz JPGRXHFJBJAYNC-QQXSKIMKSA-N 0 0 375.560 6.222 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 ZINC000408760751 570470234 /nfs/dbraw/zinc/47/02/34/570470234.db2.gz FKSQDLALDKUXNG-OEAKJJBVSA-N 0 0 381.317 6.170 40 30 GKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OCC ZINC000408761840 570471176 /nfs/dbraw/zinc/47/11/76/570471176.db2.gz HJVZYEVCMNPWFH-QNGOZBTKSA-N 0 0 392.524 5.268 40 30 GKEBRN CC/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)N1CC ZINC000223555476 570471249 /nfs/dbraw/zinc/47/12/49/570471249.db2.gz JJMRYIZKEBEJAI-YLSUVZQESA-N 0 0 399.604 5.499 40 30 GKEBRN CCN1c2cc(C)c(/C=N\NC(=S)Nc3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223576373 570472275 /nfs/dbraw/zinc/47/22/75/570472275.db2.gz IRPXKJWXYNHDPP-HZRSJKMUSA-N 0 0 394.588 5.428 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc1)C2 ZINC000006255671 570474405 /nfs/dbraw/zinc/47/44/05/570474405.db2.gz CKSCSXYLCBCSRG-LFYBBSHMSA-N 0 0 387.910 6.373 40 30 GKEBRN Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223618214 570474535 /nfs/dbraw/zinc/47/45/35/570474535.db2.gz KILVGMSRIKBGGC-NLULDLIBSA-N 0 0 377.576 6.312 40 30 GKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000169952312 570474697 /nfs/dbraw/zinc/47/46/97/570474697.db2.gz JWFFAPQPLWGJCE-KQWNVCNZSA-N 0 0 379.529 6.134 40 30 GKEBRN COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccccc1Cl ZINC000006340241 570477357 /nfs/dbraw/zinc/47/73/57/570477357.db2.gz IBLARYMCHHFFLM-XDHOZWIPSA-N 0 0 390.866 5.750 40 30 GKEBRN C[C@H]1C[C@H](N(CCC#N)C(=S)Nc2cccc3ccccc32)CC(C)(C)C1 ZINC000006481470 570481307 /nfs/dbraw/zinc/48/13/07/570481307.db2.gz RUODPUXJTGTBHK-HKUYNNGSSA-N 0 0 379.573 6.188 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3cccc(Cl)c3Cl)o2)c1 ZINC000000793533 570482002 /nfs/dbraw/zinc/48/20/02/570482002.db2.gz SVRYNSKCQVOSOG-ZVBGSRNCSA-N 0 0 395.629 6.566 40 30 GKEBRN O/N=C1C(=C/c2ccc(Cl)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(Cl)cc1 ZINC000006511961 570482394 /nfs/dbraw/zinc/48/23/94/570482394.db2.gz UBTZIGTZUQCBSM-IDUCTXRKSA-N 0 0 391.298 5.727 40 30 GKEBRN Cc1cc(Br)c(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c1 ZINC000006571349 570483403 /nfs/dbraw/zinc/48/34/03/570483403.db2.gz JFDBFUWQYQCAOI-YDZHTSKRSA-N 0 0 381.273 5.200 40 30 GKEBRN COc1ccc(OC)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000006793377 570493314 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COC(=O)c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000408934189 570506743 /nfs/dbraw/zinc/50/67/43/570506743.db2.gz LPADDMKSEIEEEI-MSXFZWOLSA-N 0 0 388.345 5.198 40 30 GKEBRN Cc1ccc(C)c2nc(Cl)c(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)cc12 ZINC000000883114 570508806 /nfs/dbraw/zinc/50/88/06/570508806.db2.gz AMIYONDZTRWRBL-SFHVURJKSA-N 0 0 391.902 5.443 40 30 GKEBRN CC1=NOC(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000408935873 570509129 /nfs/dbraw/zinc/50/91/29/570509129.db2.gz DZQVYHRCLDLJNU-UDWIEESQSA-N 0 0 377.827 5.388 40 30 GKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1C(F)(F)F ZINC000032194185 570509947 /nfs/dbraw/zinc/50/99/47/570509947.db2.gz IFZHYMALFYPSGD-ZHACJKMWSA-N 0 0 384.195 5.667 40 30 GKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000028217526 570538218 /nfs/dbraw/zinc/53/82/18/570538218.db2.gz FMOBTWZOVSDWSP-LPYMAVHISA-N 0 0 382.920 5.068 40 30 GKEBRN CC(C)N1C/C(=C\c2ccccc2Cl)C(=O)/C(=C\c2ccccc2Cl)C1 ZINC000035228415 570550697 /nfs/dbraw/zinc/55/06/97/570550697.db2.gz 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Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O ZINC000059224238 570651722 /nfs/dbraw/zinc/65/17/22/570651722.db2.gz GAPIYPNZSIOHQO-ZDLGFXPLSA-N 0 0 381.888 5.330 40 30 GKEBRN Brc1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000059247749 570652546 /nfs/dbraw/zinc/65/25/46/570652546.db2.gz FJUMWWCXLBUACF-HZHRSRAPSA-N 0 0 375.269 6.144 40 30 GKEBRN Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471636 570654594 /nfs/dbraw/zinc/65/45/94/570654594.db2.gz KELVDCOUUNGIGF-QDMJJKQJSA-N 0 0 384.910 6.917 40 30 GKEBRN Cc1c(/C=N/c2ccc(C)c(C)c2)c2ccccn2c1/C=N/c1ccc(C)c(C)c1 ZINC000059459726 570654600 /nfs/dbraw/zinc/65/46/00/570654600.db2.gz NAJJNSXCNFESPR-LPHFKDDMSA-N 0 0 393.534 6.983 40 30 GKEBRN C(=NN=c1[nH]c2ccccc2[nH]1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000059417074 570656087 /nfs/dbraw/zinc/65/60/87/570656087.db2.gz YDGDXFQBPBATFN-WGOQTCKBSA-N 0 0 392.462 5.741 40 30 GKEBRN CC(C)c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059425582 570656392 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CC(=CCc1ccccc1F)N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000409053479 570696198 /nfs/dbraw/zinc/69/61/98/570696198.db2.gz YSBKCMDUYDEKSA-HJABZNHRSA-N 0 0 382.420 5.359 40 30 GKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(C2CCCCC2)cc1 ZINC000409052298 570708786 /nfs/dbraw/zinc/70/87/86/570708786.db2.gz RGLGEGHHTLNNEO-UQQQWYQISA-N 0 0 375.541 6.694 40 30 GKEBRN COc1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000000833301 570710061 /nfs/dbraw/zinc/71/00/61/570710061.db2.gz SACRILLVUKWISK-YBFXNURJSA-N 0 0 379.393 5.193 40 30 GKEBRN O=C(Oc1ccc(/C=N/Cc2ccco2)cc1)c1sc2ccccc2c1Cl ZINC000001098342 570714508 /nfs/dbraw/zinc/71/45/08/570714508.db2.gz SCTPBSWYJWPMSI-FSJBWODESA-N 0 0 395.867 5.986 40 30 GKEBRN CCCc1ccc(CN2CCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295274 570718702 /nfs/dbraw/zinc/71/87/02/570718702.db2.gz SJRCHNKCNFTRJB-LJQANCHMSA-N 0 0 393.516 5.036 40 30 GKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccccc2)cc1 ZINC000003095294 570723199 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ZINC000408622644 231084266 /nfs/dbraw/zinc/08/42/66/231084266.db2.gz QFLIMHSAELXDPG-UHFFFAOYSA-N 0 0 391.789 5.411 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1 ZINC000408652422 231091104 /nfs/dbraw/zinc/09/11/04/231091104.db2.gz IBQZLPFWKKGYDW-PKNBQFBNSA-N 0 0 397.268 5.922 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408652933 231091536 /nfs/dbraw/zinc/09/15/36/231091536.db2.gz IQDZEKMDGXJNMV-NTEUORMPSA-N 0 0 378.855 5.824 40 30 GKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408911704 231129623 /nfs/dbraw/zinc/12/96/23/231129623.db2.gz CIIHAJCGLYCTHZ-AUEPDCJTSA-N 0 0 387.266 5.880 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl ZINC000408813331 231117920 /nfs/dbraw/zinc/11/79/20/231117920.db2.gz MYFFJRNOLUEQMG-MXAYSNPKSA-N 0 0 396.849 5.556 40 30 GKEBRN N#CCOc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408818949 231118715 /nfs/dbraw/zinc/11/87/15/231118715.db2.gz ZJFNDMZQESMTBE-RUZDIDTESA-N 0 0 380.447 5.416 40 30 GKEBRN O=C(NCc1ccco1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000408846986 231120673 /nfs/dbraw/zinc/12/06/73/231120673.db2.gz KWKOTMGTMZDGFQ-WYMPLXKRSA-N 0 0 398.915 5.554 40 30 GKEBRN Cc1cc(/N=C\c2cccn2-c2ccccc2)ccc1I ZINC000408847730 231120972 /nfs/dbraw/zinc/12/09/72/231120972.db2.gz ODQKBQVPXILCMG-MOSHPQCFSA-N 0 0 386.236 5.141 40 30 GKEBRN Oc1cc(Cl)ccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408851039 231121264 /nfs/dbraw/zinc/12/12/64/231121264.db2.gz UWWAGLLGGMIYEE-JAIQZWGSSA-N 0 0 375.653 5.349 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cccc(O)c2)sc2c1CCCC2 ZINC000408851936 231121470 /nfs/dbraw/zinc/12/14/70/231121470.db2.gz BWDSTFFOMRZOPH-UCQKPKSFSA-N 0 0 376.481 5.335 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000408851311 231121758 /nfs/dbraw/zinc/12/17/58/231121758.db2.gz XOALIYZCWWBDQI-OYKKKHCWSA-N 0 0 394.927 6.283 40 30 GKEBRN Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(F)cc1 ZINC000408858548 231122586 /nfs/dbraw/zinc/12/25/86/231122586.db2.gz TUCGLTXAZLIDGS-XKZIYDEJSA-N 0 0 390.479 6.351 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl ZINC000408855359 231122910 /nfs/dbraw/zinc/12/29/10/231122910.db2.gz CMTDXHILTIUYOS-OMCISZLKSA-N 0 0 377.463 5.517 40 30 GKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408860646 231123023 /nfs/dbraw/zinc/12/30/23/231123023.db2.gz AYDBZAISFIFUKE-PDGQHHTCSA-N 0 0 384.932 5.838 40 30 GKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408868614 231123263 /nfs/dbraw/zinc/12/32/63/231123263.db2.gz NCVIJLUYCGZSIE-WQRHYEAKSA-N 0 0 384.932 5.838 40 30 GKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccccc1 ZINC000408868771 231123604 /nfs/dbraw/zinc/12/36/04/231123604.db2.gz BGTDDASQEUGZTG-PCDQMTBKSA-N 0 0 382.554 5.931 40 30 GKEBRN O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408876609 231123856 /nfs/dbraw/zinc/12/38/56/231123856.db2.gz MQIHZAFYORUUIN-UDGIJHFQSA-N 0 0 398.478 5.902 40 30 GKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1 ZINC000408908279 231128264 /nfs/dbraw/zinc/12/82/64/231128264.db2.gz RCUZEAWTBPCDQQ-FJPRGUKSSA-N 0 0 385.492 5.447 40 30 GKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl ZINC000408912608 231129838 /nfs/dbraw/zinc/12/98/38/231129838.db2.gz RFWDFACISHEHLF-AUEPDCJTSA-N 0 0 387.266 5.880 40 30 GKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O ZINC000408911303 231129254 /nfs/dbraw/zinc/12/92/54/231129254.db2.gz MUNWYTFVGSXNIF-QNQNADBQSA-N 0 0 380.513 5.326 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)C2 ZINC000408734618 231107469 /nfs/dbraw/zinc/10/74/69/231107469.db2.gz ZURFMJYAWXROPF-RPPGKUMJSA-N 0 0 395.333 6.881 40 30 GKEBRN COc1ccc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000408733297 231108065 /nfs/dbraw/zinc/10/80/65/231108065.db2.gz XEFASQFTRFYQPA-AWNIVKPZSA-N 0 0 383.491 5.728 40 30 GKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408739064 231109147 /nfs/dbraw/zinc/10/91/47/231109147.db2.gz SJPFEBCVRGHDHD-LPYMAVHISA-N 0 0 383.289 5.616 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1Cl ZINC000408737988 231109303 /nfs/dbraw/zinc/10/93/03/231109303.db2.gz HGAIVNJXSOFWJX-WQRHYEAKSA-N 0 0 384.932 5.838 40 30 GKEBRN Cc1ccc(C(=O)Oc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000408737784 231109454 /nfs/dbraw/zinc/10/94/54/231109454.db2.gz XOHFAMMVRFXOHZ-OEAKJJBVSA-N 0 0 387.464 5.270 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1C1CCCCC1 ZINC000408742250 231111158 /nfs/dbraw/zinc/11/11/58/231111158.db2.gz VOTSALXQPJANTF-ZHZULCJRSA-N 0 0 379.529 5.502 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000408751906 231111793 /nfs/dbraw/zinc/11/17/93/231111793.db2.gz AGCNPRHJMCXWET-BIENJYKASA-N 0 0 396.244 5.055 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000408763958 231112344 /nfs/dbraw/zinc/11/23/44/231112344.db2.gz HCLDEESSYVDJLP-RYRKJORJSA-N 0 0 396.244 5.055 40 30 GKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408769214 231113518 /nfs/dbraw/zinc/11/35/18/231113518.db2.gz PKYMNZCYRGFUBP-UUYOSTAYSA-N 0 0 392.415 5.278 40 30 GKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 ZINC000408784772 231114102 /nfs/dbraw/zinc/11/41/02/231114102.db2.gz XGJCLNRATLTREY-UUYOSTAYSA-N 0 0 387.708 6.261 40 30 GKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1)c1ccccc1 ZINC000408801845 231114968 /nfs/dbraw/zinc/11/49/68/231114968.db2.gz VWYKVYHJOWDHHX-HAWKZNDISA-N 0 0 392.886 5.347 40 30 GKEBRN O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1cccc(Cl)c1 ZINC000408801538 231115051 /nfs/dbraw/zinc/11/50/51/231115051.db2.gz URAKJFHHWXFDKT-CFRMEGHHSA-N 0 0 399.277 5.762 40 30 GKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000408802151 231115336 /nfs/dbraw/zinc/11/53/36/231115336.db2.gz XDHZALGHAPOUNI-WGARJPEWSA-N 0 0 398.384 5.474 40 30 GKEBRN COc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1Cl ZINC000408951152 231135459 /nfs/dbraw/zinc/13/54/59/231135459.db2.gz HWMPSLQJFBMEBJ-OMCISZLKSA-N 0 0 393.462 5.217 40 30 GKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c1C ZINC000408959589 231135484 /nfs/dbraw/zinc/13/54/84/231135484.db2.gz BMXXVCKHECEVLR-STZFKDTASA-N 0 0 391.540 5.104 40 30 GKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408960375 231136181 /nfs/dbraw/zinc/13/61/81/231136181.db2.gz LGPYSUKUXIMXSK-VUTHCHCSSA-N 0 0 398.594 6.814 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(C(C)C)c4ccccc34)S2)cc1 ZINC000408962913 231136309 /nfs/dbraw/zinc/13/63/09/231136309.db2.gz VZRJPMGAEWAVSJ-UDWIEESQSA-N 0 0 375.497 5.422 40 30 GKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)c1 ZINC000408960344 231136363 /nfs/dbraw/zinc/13/63/63/231136363.db2.gz LADFJPYAIKSTAJ-IRZHRRCCSA-N 0 0 391.540 5.137 40 30 GKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965473 231136922 /nfs/dbraw/zinc/13/69/22/231136922.db2.gz HQJAQPKGACKOFG-WGARJPEWSA-N 0 0 399.365 7.449 40 30 GKEBRN Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1I ZINC000408963792 231137560 /nfs/dbraw/zinc/13/75/60/231137560.db2.gz PJIAYQJNOGFFRN-FYJGNVAPSA-N 0 0 399.231 5.414 40 30 GKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968721 231137951 /nfs/dbraw/zinc/13/79/51/231137951.db2.gz YFMKCDAKUWRBNT-IWIPYMOSSA-N 0 0 375.472 6.050 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967218 231138092 /nfs/dbraw/zinc/13/80/92/231138092.db2.gz RASJNKJEYNDMIA-ZMFRSBBQSA-N 0 0 394.305 6.700 40 30 GKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cccs2)sc2c1CCCCCC2 ZINC000408972769 231139115 /nfs/dbraw/zinc/13/91/15/231139115.db2.gz XAHDJRCDNBVWON-HZHRSRAPSA-N 0 0 394.565 6.472 40 30 GKEBRN COc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000408975263 231139270 /nfs/dbraw/zinc/13/92/70/231139270.db2.gz LMPBSTOVWWYQOY-FSJBWODESA-N 0 0 385.379 5.502 40 30 GKEBRN COc1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1Br ZINC000408976303 231139970 /nfs/dbraw/zinc/13/99/70/231139970.db2.gz QMLBNEKCXVSRCP-CIAFOILYSA-N 0 0 384.277 5.011 40 30 GKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1C ZINC000408979149 231140846 /nfs/dbraw/zinc/14/08/46/231140846.db2.gz PCCHKGAFRNWBBH-MFKUBSTISA-N 0 0 390.552 6.925 40 30 GKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCC(C)C ZINC000408980000 231141157 /nfs/dbraw/zinc/14/11/57/231141157.db2.gz PHBBGSKZWPEOIN-UHFFFAOYSA-N 0 0 387.483 5.052 40 30 GKEBRN COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1C ZINC000408979774 231141276 /nfs/dbraw/zinc/14/12/76/231141276.db2.gz SFFSTTJVDVEOHJ-MFKUBSTISA-N 0 0 390.552 6.925 40 30 GKEBRN Cc1cccc(Cn2cc(C=NNc3ccc4ccccc4n3)c3ccccc32)c1 ZINC000408996680 231143861 /nfs/dbraw/zinc/14/38/61/231143861.db2.gz MLJCZEPXEIWZKV-JVWAILMASA-N 0 0 390.490 5.992 40 30 GKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1ccc(Br)cc1 ZINC000408994515 231144088 /nfs/dbraw/zinc/14/40/88/231144088.db2.gz ZNWYEHSCYKKQSD-UUYOSTAYSA-N 0 0 397.320 5.314 40 30 GKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1ccc(Br)cc1 ZINC000409001157 231144385 /nfs/dbraw/zinc/14/43/85/231144385.db2.gz 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N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1Cl ZINC000225856661 206082089 /nfs/dbraw/zinc/08/20/89/206082089.db2.gz ZWVOBYZEFFMIDF-UHFFFAOYSA-N 0 0 390.701 5.541 40 30 GKEBRN Cc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)cc1C ZINC000225885895 206083750 /nfs/dbraw/zinc/08/37/50/206083750.db2.gz ONGQPVUOTNATMR-UHFFFAOYSA-N 0 0 386.282 5.706 40 30 GKEBRN N#Cc1c(Nc2ccccc2)sc(C(=O)c2cccnc2)c1-c1ccncc1 ZINC000255189756 206150545 /nfs/dbraw/zinc/15/05/45/206150545.db2.gz RVOZXYAGBHNULM-UHFFFAOYSA-N 0 0 382.448 5.051 40 30 GKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261527092 206184038 /nfs/dbraw/zinc/18/40/38/206184038.db2.gz ZCPUXKFMXQVKLS-LBPRGKRZSA-N 0 0 390.599 5.563 40 30 GKEBRN CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000001443408 206212570 /nfs/dbraw/zinc/21/25/70/206212570.db2.gz HIWVCCKGKBMCSA-JOCHJYFZSA-N 0 0 396.918 5.961 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(C)C ZINC000007998093 206244677 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7.373 40 30 in-vitro GKEBRN Clc1ccc(/C=N/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000004976351 211559867 /nfs/dbraw/zinc/55/98/67/211559867.db2.gz INTKJYFIWWTKKD-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN CCc1cccc(C)c1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N ZINC000004849154 211551164 /nfs/dbraw/zinc/55/11/64/211551164.db2.gz CJEZLQXOUGZKMZ-UHFFFAOYSA-N 0 0 389.524 5.325 40 30 GKEBRN CCc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)c(C#N)cc2c1 ZINC000004848945 211549900 /nfs/dbraw/zinc/54/99/00/211549900.db2.gz WIFXGERNGJQXRV-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cn1c2ccccc2c2cc(/C=N/c3sc4c(c3C#N)CCN(C)C4)ccc21 ZINC000001100460 206352316 /nfs/dbraw/zinc/35/23/16/206352316.db2.gz OFZYGZQIRHTNSI-DHRITJCHSA-N 0 0 384.508 5.003 40 30 GKEBRN C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000001651130 206388477 /nfs/dbraw/zinc/38/84/77/206388477.db2.gz UANWMDUDDVNHJV-MJZABRMRSA-N 0 0 398.289 5.058 40 30 GKEBRN COc1ccccc1[C@H]1CCCCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000001725324 206390467 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N#C[C@H](c1ccc(Cl)cc1)c1cccc([C@@H](C#N)c2ccc(Cl)cc2)n1 ZINC000018323937 207097862 /nfs/dbraw/zinc/09/78/62/207097862.db2.gz HDHWCVHVEDSRTI-KDURUIRLSA-N 0 0 378.262 5.699 40 30 GKEBRN CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 ZINC000026896828 207321405 /nfs/dbraw/zinc/32/14/05/207321405.db2.gz RXFWDJROXPIJSV-KRWDZBQOSA-N 0 0 388.941 5.935 40 30 GKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409237973 532959451 /nfs/dbraw/zinc/95/94/51/532959451.db2.gz KQAHPYOQLLHIGQ-XIEYBQDHSA-N 0 0 388.467 5.075 40 30 GKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408778643 533030517 /nfs/dbraw/zinc/03/05/17/533030517.db2.gz JHWQZPWNSGOFSA-LPYMAVHISA-N 0 0 399.357 6.329 40 30 GKEBRN C[C@H]1CCc2c(c(C#N)c(S[C@H]3CCCCC3=O)nc2-c2ccccc2)C1 ZINC000095117614 208154748 /nfs/dbraw/zinc/15/47/48/208154748.db2.gz WQKZEWZCQGTVCD-BTYIYWSLSA-N 0 0 376.525 5.349 40 30 GKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000409178378 533036191 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COc1cc2c(cc1/C=N\c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 ZINC000409075101 533151618 /nfs/dbraw/zinc/15/16/18/533151618.db2.gz UJHAZVMPVIISHS-WGARJPEWSA-N 0 0 389.495 5.642 40 30 GKEBRN Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C#N)c3)CCCCC2)cc1 ZINC000225760224 208974964 /nfs/dbraw/zinc/97/49/64/208974964.db2.gz SBKCWZJNXJMQSM-UHFFFAOYSA-N 0 0 390.527 5.742 40 30 GKEBRN COc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3Cl)cc1)OCO2 ZINC000409066157 533152657 /nfs/dbraw/zinc/15/26/57/533152657.db2.gz LXPUFMUAOVTYDF-FMCGGJTJSA-N 0 0 381.815 5.620 40 30 GKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccccc2)cc1 ZINC000408722306 533190542 /nfs/dbraw/zinc/19/05/42/533190542.db2.gz GUBFNOAAYALGLA-PCLIKHOPSA-N 0 0 384.504 6.545 40 30 GKEBRN CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N\NC(N)=S ZINC000005553142 220881142 /nfs/dbraw/zinc/88/11/42/220881142.db2.gz AJBTYTVSUDZURP-AQRZYSDFSA-N 0 0 386.030 5.684 40 30 GKEBRN COc1ccc(-n2c(C)cc(C=NNc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl ZINC000409064869 533209642 /nfs/dbraw/zinc/20/96/42/533209642.db2.gz QMZWWSDQVISFJF-WSDLNYQXSA-N 0 0 398.850 5.110 40 30 GKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1cccc2ccccc12 ZINC000012032566 221145567 /nfs/dbraw/zinc/14/55/67/221145567.db2.gz UZEIXURKSFJKSR-PXLXIMEGSA-N 0 0 380.472 5.885 40 30 GKEBRN Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000013119047 221262173 /nfs/dbraw/zinc/26/21/73/221262173.db2.gz LKJHMFSAGKKMNI-VULFUBBASA-N 0 0 384.401 5.915 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492257 221363490 /nfs/dbraw/zinc/36/34/90/221363490.db2.gz MXPTVPIMDRGTOH-UHFFFAOYSA-N 0 0 399.431 5.940 40 30 GKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1c(O)ccc2ccccc21 ZINC000018996437 221393632 /nfs/dbraw/zinc/39/36/32/221393632.db2.gz BYVFOSNQBIBSGD-WQRHYEAKSA-N 0 0 380.856 5.090 40 30 GKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3cccc4ccccc43)c2c1 ZINC000408779498 533231362 /nfs/dbraw/zinc/23/13/62/533231362.db2.gz XLGCNJIATDAKTA-PKAZHMFMSA-N 0 0 376.459 6.747 40 30 GKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Cl)cc3Cl)sc1CC2 ZINC000408723208 533239359 /nfs/dbraw/zinc/23/93/59/533239359.db2.gz RCCIIEQWPPLHAT-LSHDLFTRSA-N 0 0 389.307 5.975 40 30 GKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408907608 533240462 /nfs/dbraw/zinc/24/04/62/533240462.db2.gz BUAGWKHTFQABBW-DYEBMTOPSA-N 0 0 380.513 5.264 40 30 GKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000408802870 533251229 /nfs/dbraw/zinc/25/12/29/533251229.db2.gz IOSYKYMBZRWPSB-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000100349872 533251885 /nfs/dbraw/zinc/25/18/85/533251885.db2.gz SLCMHGAWEXZIHM-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000409094691 533273484 /nfs/dbraw/zinc/27/34/84/533273484.db2.gz GDGWYITXAXTFFJ-WUKNDPDISA-N 0 0 389.451 5.695 40 30 GKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OC ZINC000409092114 533389713 /nfs/dbraw/zinc/38/97/13/533389713.db2.gz VDTDFTFYPIMCSQ-MMTYYTLLSA-N 0 0 382.529 5.539 40 30 GKEBRN COc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409048239 533422065 /nfs/dbraw/zinc/42/20/65/533422065.db2.gz RYMDGLWOBICQAD-UHFFFAOYSA-N 0 0 393.266 5.130 40 30 GKEBRN COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408691856 533470656 /nfs/dbraw/zinc/47/06/56/533470656.db2.gz UNJSPLXDLDCZSD-NTUHNPAUSA-N 0 0 392.882 6.132 40 30 GKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OC(C)C ZINC000408906986 533471352 /nfs/dbraw/zinc/47/13/52/533471352.db2.gz FQFNIZFDBHWTSU-DYEBMTOPSA-N 0 0 396.512 5.025 40 30 GKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1C ZINC000408912076 533471559 /nfs/dbraw/zinc/47/15/59/533471559.db2.gz KVDRCINBFFGQRO-DYEBMTOPSA-N 0 0 380.513 5.324 40 30 GKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1C ZINC000408913789 533471730 /nfs/dbraw/zinc/47/17/30/533471730.db2.gz NMMJBFHVSSFGAP-GRUKXCDCSA-N 0 0 394.540 5.572 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000409200847 533483107 /nfs/dbraw/zinc/48/31/07/533483107.db2.gz JOUMMBWUGLLIIR-MFKUBSTISA-N 0 0 388.467 5.080 40 30 GKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 ZINC000409216967 533483220 /nfs/dbraw/zinc/48/32/20/533483220.db2.gz QDGPPCYXORJUJB-DHRITJCHSA-N 0 0 383.850 6.126 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409217660 533483492 /nfs/dbraw/zinc/48/34/92/533483492.db2.gz RGCCNKDPBQSMPR-LGJNPRDNSA-N 0 0 397.877 6.434 40 30 GKEBRN Cc1nc(N)c(C#N)c(-c2ccccc2OCc2ccccc2)c1-c1ccccc1 ZINC000408981949 533594244 /nfs/dbraw/zinc/59/42/44/533594244.db2.gz WPRUUUNFLKTANL-UHFFFAOYSA-N 0 0 391.474 5.587 40 30 GKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(O)c2)S/C1=N\c1ccccc1 ZINC000408862561 533608277 /nfs/dbraw/zinc/60/82/77/533608277.db2.gz HGWVHFCUGGZIPY-CWCBXNBFSA-N 0 0 392.524 5.575 40 30 GKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 ZINC000100102969 136188953 /nfs/dbraw/zinc/18/89/53/136188953.db2.gz SCIAMNQLJKDEMQ-BUVRLJJBSA-N 0 0 380.875 5.496 40 30 GKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3cccc4ccccc43)cc2)c1 ZINC000409181875 533677642 /nfs/dbraw/zinc/67/76/42/533677642.db2.gz GEQZYRWIQCOWHQ-WUKNDPDISA-N 0 0 395.458 6.449 40 30 GKEBRN FC(F)(F)C(F)(F)C(F)(F)c1c[nH]c(-c2ccccc2)c1Br ZINC000064220210 222071175 /nfs/dbraw/zinc/07/11/75/222071175.db2.gz HLPFTOXQDQJKQJ-UHFFFAOYSA-N 0 0 390.096 5.734 40 30 GKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000071977069 222202101 /nfs/dbraw/zinc/20/21/01/222202101.db2.gz VUAYEZIUJQKMBX-MDWZMJQESA-N 0 0 383.274 6.469 40 30 GKEBRN Cc1c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc2n1C ZINC000408859856 533701193 /nfs/dbraw/zinc/70/11/93/533701193.db2.gz UGYCGZBBGBJAJL-ODLFYWEKSA-N 0 0 395.915 5.340 40 30 GKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl ZINC000408738039 533716322 /nfs/dbraw/zinc/71/63/22/533716322.db2.gz MIZSGPKMNKTLCL-WYMPLXKRSA-N 0 0 384.838 5.424 40 30 GKEBRN Cc1ccc(C)n1-c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100133892 533718178 /nfs/dbraw/zinc/71/81/78/533718178.db2.gz XIAOHSGXISCYID-OGLMXYFKSA-N 0 0 395.550 6.869 40 30 GKEBRN COc1cccc2c(/C=N/c3ccc4ccccc4c3)c(-c3ccccc3)[nH]c21 ZINC000408842130 533831303 /nfs/dbraw/zinc/83/13/03/533831303.db2.gz METSRNXRZDIVFU-WPWMEQJKSA-N 0 0 376.459 6.747 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408741291 533951459 /nfs/dbraw/zinc/95/14/59/533951459.db2.gz IDIFZHOJFHQWKV-WGOQTCKBSA-N 0 0 388.511 5.929 40 30 GKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O ZINC000408915947 533952950 /nfs/dbraw/zinc/95/29/50/533952950.db2.gz SHCHSLRZYRASEV-DYEBMTOPSA-N 0 0 380.513 5.264 40 30 GKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)c(C)c1 ZINC000408932068 533954071 /nfs/dbraw/zinc/95/40/71/533954071.db2.gz SRRPPASVQWXHIV-MYYYXRDXSA-N 0 0 389.499 5.006 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409243601 533962222 /nfs/dbraw/zinc/96/22/22/533962222.db2.gz TYRDNFYLUYGQIJ-WSDLNYQXSA-N 0 0 398.256 5.555 40 30 GKEBRN COC(=O)c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000408976906 533962588 /nfs/dbraw/zinc/96/25/88/533962588.db2.gz STZZDDJGGZQLQH-ZMOGYAJESA-N 0 0 386.363 5.208 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409100320 533965922 /nfs/dbraw/zinc/96/59/22/533965922.db2.gz UKCYIABDSMHNQN-OEAKJJBVSA-N 0 0 381.884 6.028 40 30 GKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408589879 534014437 /nfs/dbraw/zinc/01/44/37/534014437.db2.gz NGPQGGXWAOHLFZ-FSJBWODESA-N 0 0 394.931 6.112 40 30 GKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408590831 534015174 /nfs/dbraw/zinc/01/51/74/534015174.db2.gz QRPZVTAZICKSFH-FSJBWODESA-N 0 0 377.879 5.378 40 30 GKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(F)c1 ZINC000409108196 534015279 /nfs/dbraw/zinc/01/52/79/534015279.db2.gz SFZZIUSEJJSNOV-KIBLKLHPSA-N 0 0 376.357 5.093 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000409230439 534016207 /nfs/dbraw/zinc/01/62/07/534016207.db2.gz DGAFXDAHVRTIJZ-SSDVNMTOSA-N 0 0 388.696 5.656 40 30 GKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408595967 534016254 /nfs/dbraw/zinc/01/62/54/534016254.db2.gz YHNCBSZUYNTYQQ-YDZHTSKRSA-N 0 0 377.444 5.170 40 30 GKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408781074 534016294 /nfs/dbraw/zinc/01/62/94/534016294.db2.gz REOZWYCLMGPDOR-YDZHTSKRSA-N 0 0 378.273 5.479 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408592186 534016438 /nfs/dbraw/zinc/01/64/38/534016438.db2.gz LMHMEIQYCKRVLP-BRJLIKDPSA-N 0 0 398.293 5.823 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116570 534016864 /nfs/dbraw/zinc/01/68/64/534016864.db2.gz YSJKASVIDZETAD-FSJBWODESA-N 0 0 381.863 6.023 40 30 GKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc2ccccc21 ZINC000408590170 534017177 /nfs/dbraw/zinc/01/71/77/534017177.db2.gz GLTUYRGHGVHFGU-JVWAILMASA-N 0 0 379.463 5.670 40 30 GKEBRN Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739425 534017301 /nfs/dbraw/zinc/01/73/01/534017301.db2.gz BUILVPDFXDFUII-ZMOGYAJESA-N 0 0 386.326 6.218 40 30 GKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 ZINC000408967258 534025143 /nfs/dbraw/zinc/02/51/43/534025143.db2.gz UDTMUPTXJAYCJV-RCCKNPSSSA-N 0 0 386.476 5.254 40 30 GKEBRN COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409064921 534051983 /nfs/dbraw/zinc/05/19/83/534051983.db2.gz JFTBPGDAOXYIFO-ZVHZXABRSA-N 0 0 395.911 6.337 40 30 GKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 ZINC000100362475 534082925 /nfs/dbraw/zinc/08/29/25/534082925.db2.gz FUXWTPKILOPRRI-OYKKKHCWSA-N 0 0 394.858 5.117 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408912994 534142695 /nfs/dbraw/zinc/14/26/95/534142695.db2.gz JFUWRKDGLXXANH-UHFFFAOYSA-N 0 0 396.273 5.864 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966406 534143433 /nfs/dbraw/zinc/14/34/33/534143433.db2.gz MPJPLRWEXBMQTF-UHFFFAOYSA-N 0 0 378.431 5.105 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000408912979 534143996 /nfs/dbraw/zinc/14/39/96/534143996.db2.gz JDQRVXUTQAKFRN-UHFFFAOYSA-N 0 0 396.273 5.864 40 30 GKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408911694 534145131 /nfs/dbraw/zinc/14/51/31/534145131.db2.gz CFZNKUDOQFXSFH-UHFFFAOYSA-N 0 0 396.273 5.864 40 30 GKEBRN CSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409034017 534181083 /nfs/dbraw/zinc/18/10/83/534181083.db2.gz GHEMMTNZZGUEBH-NYAPKIOYSA-N 0 0 384.320 5.276 40 30 GKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000408723015 534206250 /nfs/dbraw/zinc/20/62/50/534206250.db2.gz PNALWQGDGUKNKB-WPWMEQJKSA-N 0 0 396.559 7.660 40 30 GKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 ZINC000408908519 534223676 /nfs/dbraw/zinc/22/36/76/534223676.db2.gz FMIWHHOVQUNWQU-DYEBMTOPSA-N 0 0 396.512 5.025 40 30 GKEBRN Cc1ccc(-c2oc(/N=C/c3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409357888 534235638 /nfs/dbraw/zinc/23/56/38/534235638.db2.gz KNPSYORSUBKSMO-OGLMXYFKSA-N 0 0 376.459 6.853 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 ZINC000100143130 534248298 /nfs/dbraw/zinc/24/82/98/534248298.db2.gz IORSNXOKOPZIJR-PZUCIDFCSA-N 0 0 388.492 5.261 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408863371 534248398 /nfs/dbraw/zinc/24/83/98/534248398.db2.gz NPVNFTFDZGMBAT-YVADOFBFSA-N 0 0 394.515 6.071 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1C ZINC000409213871 534251802 /nfs/dbraw/zinc/25/18/02/534251802.db2.gz VMFXDAUMXRLDEN-OEAKJJBVSA-N 0 0 399.899 5.475 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C ZINC000409220225 534251932 /nfs/dbraw/zinc/25/19/32/534251932.db2.gz ZOWFQRUFFXLTHY-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 ZINC000408916432 534252052 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GKEBRN N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1cccs1 ZINC000005902315 518196731 /nfs/dbraw/zinc/19/67/31/518196731.db2.gz IELWKSVNTOUQOQ-UHFFFAOYSA-N 0 0 378.460 5.688 40 30 GKEBRN C#CCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000015013366 518265141 /nfs/dbraw/zinc/26/51/41/518265141.db2.gz KUBIHDCUOGOOKX-GXDHUFHOSA-N 0 0 391.926 5.222 40 30 GKEBRN C#CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196124 518331650 /nfs/dbraw/zinc/33/16/50/518331650.db2.gz RMIDQQCZTYGIMM-ZMOGYAJESA-N 0 0 383.278 5.282 40 30 GKEBRN C(=CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cc1ccccc1 ZINC000002079865 518368447 /nfs/dbraw/zinc/36/84/47/518368447.db2.gz BIRCKFNNGFFCCJ-JOUPJCCWSA-N 0 0 377.451 5.317 40 30 GKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(OCc2ccccc2)cc1 ZINC000100031997 518378160 /nfs/dbraw/zinc/37/81/60/518378160.db2.gz UFTBZWQSACUCBI-ZXVVBBHZSA-N 0 0 379.459 6.809 40 30 GKEBRN C(=N\c1ccc(/N=N\c2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000012574221 518380321 /nfs/dbraw/zinc/38/03/21/518380321.db2.gz 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396.534 6.401 40 30 GKEBRN CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660691 519881298 /nfs/dbraw/zinc/88/12/98/519881298.db2.gz XMMKRJBCWGTPOS-UWKHZERDSA-N 0 0 386.576 5.866 40 30 GKEBRN Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409088198 534456306 /nfs/dbraw/zinc/45/63/06/534456306.db2.gz FKEYKVWDDYUNOK-UUYOSTAYSA-N 0 0 384.526 5.270 40 30 GKEBRN Cc1ccsc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408908419 534456522 /nfs/dbraw/zinc/45/65/22/534456522.db2.gz DVXDKEMLMZDWDK-XKZIYDEJSA-N 0 0 380.538 6.000 40 30 GKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H](C)CC(=O)N(C)C ZINC000104109699 519968582 /nfs/dbraw/zinc/96/85/82/519968582.db2.gz YPGHOOFZSDFRBX-GNNUASRNSA-N 0 0 395.628 6.434 40 30 GKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOC(C)C ZINC000104109882 519968946 /nfs/dbraw/zinc/96/89/46/519968946.db2.gz QXRJLSIDXTWQBF-QXMHVHEDSA-N 0 0 381.645 6.955 40 30 GKEBRN CCCCCCCC1CCC(c2ccc(C(=O)COC(=O)CCC)cc2)CC1 ZINC000100499363 519970739 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ZINC000101672609 519992015 /nfs/dbraw/zinc/99/20/15/519992015.db2.gz JSQYZHUPJQWKBQ-UHFFFAOYSA-N 0 0 387.652 7.607 40 30 GKEBRN CCCCCCCCCCCCCCCCc1c(C)nc(N(C)C)oc1=O ZINC000104267791 520003937 /nfs/dbraw/zinc/00/39/37/520003937.db2.gz RGFIDHVARLERED-UHFFFAOYSA-N 0 0 378.601 6.433 40 30 GKEBRN CCCCCCCCCCCCCCOC(=O)[C@H](N)[C@H](O)c1ccccc1 ZINC000100550843 520005498 /nfs/dbraw/zinc/00/54/98/520005498.db2.gz OIVGXPSRTPKUPQ-FGZHOGPDSA-N 0 0 377.569 5.292 40 30 GKEBRN CCCCCCCCCCCC[C@](O)(CC)c1cccc(Br)c1 ZINC000101016677 520013751 /nfs/dbraw/zinc/01/37/51/520013751.db2.gz CJHRLGXJNXRGLT-OAQYLSRUSA-N 0 0 383.414 7.358 40 30 GKEBRN CCCCCCCCCCCCSC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104357544 520013958 /nfs/dbraw/zinc/01/39/58/520013958.db2.gz QIURYIBYTWFNSK-UHFFFAOYSA-N 0 0 396.509 6.297 40 30 GKEBRN CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(C)ccc3oc1-2 ZINC000085340995 520017445 /nfs/dbraw/zinc/01/74/45/520017445.db2.gz CTJDVXPIYYKHJN-UHFFFAOYSA-N 0 0 381.516 6.380 40 30 biogenic,in-vitro 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FAMKDYMGLREJOA-HKOYGPOVSA-N 0 0 383.488 5.843 40 30 GKEBRN CCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000068569023 520043754 /nfs/dbraw/zinc/04/37/54/520043754.db2.gz HEHSIUWUXKPFCK-NCELDCMTSA-N 0 0 381.516 6.353 40 30 GKEBRN CCCCCCCC[C@H]1S[C@H]1CCCCCCCC(=O)N1CCOCC1 ZINC000100300029 520047086 /nfs/dbraw/zinc/04/70/86/520047086.db2.gz DPYGHXSTRIZSJD-RTWAWAEBSA-N 0 0 383.642 5.811 40 30 GKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)N1CCN(C)CC1 ZINC000104109802 520047893 /nfs/dbraw/zinc/04/78/93/520047893.db2.gz NSJGDYUFCVUWFO-FCHUYYIVSA-N 0 0 380.617 5.009 40 30 GKEBRN CCCCCCCCc1ccc(/N=N/c2ccc(OCCCCC)cc2)cc1 ZINC000068568993 520050121 /nfs/dbraw/zinc/05/01/21/520050121.db2.gz PFGSKSLPLRCIHN-CYYJNZCTSA-N 0 0 380.576 8.574 40 30 GKEBRN CCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000059608673 520061278 /nfs/dbraw/zinc/06/12/78/520061278.db2.gz YSEQZESEPFEBQD-LICLKQGHSA-N 0 0 380.484 5.857 40 30 GKEBRN CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1 ZINC000101662569 520064423 /nfs/dbraw/zinc/06/44/23/520064423.db2.gz GLHMWIGUGCHSEY-RBDDCPLMSA-N 0 0 389.495 5.937 40 30 GKEBRN CCCCCCCSc1cc(C(N)=S)cc(SCCCCCC)n1 ZINC000068569543 520067137 /nfs/dbraw/zinc/06/71/37/520067137.db2.gz GBZNOCPOBKDKES-UHFFFAOYSA-N 0 0 384.680 6.451 40 30 GKEBRN CCCCCCCc1nc(CCCCCCC)nc(CCCCCCC)n1 ZINC000104049948 520070701 /nfs/dbraw/zinc/07/07/01/520070701.db2.gz GTLSTHLUDNEWPK-UHFFFAOYSA-N 0 0 375.645 7.410 40 30 GKEBRN Fc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409218334 534472701 /nfs/dbraw/zinc/47/27/01/534472701.db2.gz UDMALFGIRUTSEA-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(F)c3)c(C)c2s1 ZINC000072228601 520183655 /nfs/dbraw/zinc/18/36/55/520183655.db2.gz TWKPGCGHFPWUKZ-MSXFZWOLSA-N 0 0 384.480 5.502 40 30 GKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 ZINC000072229692 520184304 /nfs/dbraw/zinc/18/43/04/520184304.db2.gz ZVLBUJHPNNWKTD-FMCGGJTJSA-N 0 0 378.457 5.493 40 30 GKEBRN CC/N=C1\S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC ZINC000009264657 520206376 /nfs/dbraw/zinc/20/63/76/520206376.db2.gz UDOREUNXLSZNTF-NFEGURHZSA-N 0 0 389.524 5.002 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1O ZINC000019999795 520258984 /nfs/dbraw/zinc/25/89/84/520258984.db2.gz FUOZLSXEPQEUAQ-UHFFFAOYSA-N 0 0 399.918 5.019 40 30 GKEBRN CCOC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 ZINC000005005422 520394980 /nfs/dbraw/zinc/39/49/80/520394980.db2.gz ZNTIDRRXNPLPOL-RGEXLXHISA-N 0 0 380.827 5.429 40 30 GKEBRN CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000009197142 520596680 /nfs/dbraw/zinc/59/66/80/520596680.db2.gz QZKAYWSZDUBSML-ZVBGSRNCSA-N 0 0 387.694 5.178 40 30 GKEBRN CC1(C)[C@@H]2C[C@H]1C(/C=N/NC(=S)Nc1ccc(SC(F)F)cc1)=CC2 ZINC000008025569 520643988 /nfs/dbraw/zinc/64/39/88/520643988.db2.gz PXUAVPICMYRWHS-FYSYMCJPSA-N 0 0 381.517 5.266 40 30 GKEBRN CCOc1cc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O ZINC000100223682 520645272 /nfs/dbraw/zinc/64/52/72/520645272.db2.gz FZTLYAXSLDXRIB-VULFUBBASA-N 0 0 386.495 5.679 40 30 GKEBRN CC1(C)[C@H]2C[C@@H]1C(/C=N/NC(=S)Nc1ccc(SC(F)F)cc1)=CC2 ZINC000008025574 520685180 /nfs/dbraw/zinc/68/51/80/520685180.db2.gz PXUAVPICMYRWHS-OSMTUGCCSA-N 0 0 381.517 5.266 40 30 GKEBRN Fc1cccc(-c2ccc(/C=N/c3ccc(Br)c(Cl)c3)o2)c1 ZINC000409020344 534511737 /nfs/dbraw/zinc/51/17/37/534511737.db2.gz OFXGGBLSMZWCOR-UFFVCSGVSA-N 0 0 378.628 6.252 40 30 GKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101764762 520801419 /nfs/dbraw/zinc/80/14/19/520801419.db2.gz LLTDZAMYPRHIMM-DAAIQYDRSA-N 0 0 390.527 5.962 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C(C)C)cc1 ZINC000101764766 520802924 /nfs/dbraw/zinc/80/29/24/520802924.db2.gz LLTDZAMYPRHIMM-ZLXSMEDCSA-N 0 0 390.527 5.962 40 30 GKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)cc1 ZINC000101764736 520803281 /nfs/dbraw/zinc/80/32/81/520803281.db2.gz XGBYBQAXVDOLRX-BZOSTUPMSA-N 0 0 382.891 5.492 40 30 GKEBRN CCOc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000018036164 520858198 /nfs/dbraw/zinc/85/81/98/520858198.db2.gz GHGGYFYWDPXANK-LFVJCYFKSA-N 0 0 375.424 5.064 40 30 GKEBRN CCOc1ccc(/N=C/c2cccc(OC)c2OCc2ccccc2F)cc1 ZINC000100384104 520858339 /nfs/dbraw/zinc/85/83/39/520858339.db2.gz ALPGZPVLKMMCLN-MFKUBSTISA-N 0 0 379.431 5.563 40 30 GKEBRN Cc1oc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000408952412 534535887 /nfs/dbraw/zinc/53/58/87/534535887.db2.gz KGHGYAGCVKBKML-OPEKNORGSA-N 0 0 399.277 6.405 40 30 GKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c(C#N)c1C ZINC000409160908 534535963 /nfs/dbraw/zinc/53/59/63/534535963.db2.gz KHCMTYJIMISTRV-LSHDLFTRSA-N 0 0 383.245 5.850 40 30 GKEBRN CCCCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000100384409 521269859 /nfs/dbraw/zinc/26/98/59/521269859.db2.gz AYXMKWQCTHBEOV-WPWMEQJKSA-N 0 0 391.486 6.507 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000409216323 534578395 /nfs/dbraw/zinc/57/83/95/534578395.db2.gz HCHYQOHHWICTIU-ZMOGYAJESA-N 0 0 394.858 6.195 40 30 GKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1C ZINC000409214093 534578453 /nfs/dbraw/zinc/57/84/53/534578453.db2.gz RACMRJXYRGEOSD-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C ZINC000409209106 534578542 /nfs/dbraw/zinc/57/85/42/534578542.db2.gz FVJLAHBFKLGWMF-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1cccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)c1C ZINC000409219237 534578762 /nfs/dbraw/zinc/57/87/62/534578762.db2.gz OQKZGKDTVLGSQC-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN Cc1cccc(/N=c2\scc(-c3ccccc3)n2/N=C/c2ccc(C)cc2C)c1 ZINC000012551613 534580089 /nfs/dbraw/zinc/58/00/89/534580089.db2.gz ULXKNRAUVZYZGK-HPAFKQQASA-N 0 0 397.547 6.256 40 30 GKEBRN COC(=O)c1ccc(/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1 ZINC000102957357 521940573 /nfs/dbraw/zinc/94/05/73/521940573.db2.gz SBRDRQLMZBIXMK-SSDVNMTOSA-N 0 0 388.254 5.025 40 30 GKEBRN COc1cc(/C=N/c2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccccc1 ZINC000018120085 522003029 /nfs/dbraw/zinc/00/30/29/522003029.db2.gz UFZMSRBYLWFMOS-VULFUBBASA-N 0 0 399.368 5.684 40 30 GKEBRN CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000005002600 522135912 /nfs/dbraw/zinc/13/59/12/522135912.db2.gz HIVQYLJRUIWAFN-NLRVBDNBSA-N 0 0 393.494 5.323 40 30 GKEBRN Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1Cl ZINC000409020986 534636650 /nfs/dbraw/zinc/63/66/50/534636650.db2.gz WOTHOBOKWTWGEC-NHDPSOOVSA-N 0 0 394.099 6.297 40 30 GKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c(Cl)c1 ZINC000409209935 534639662 /nfs/dbraw/zinc/63/96/62/534639662.db2.gz HBZVISKNMQXNSU-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN Clc1ccc(COc2ccc3ccccc3c2C=NNc2ccccc2)cc1 ZINC000408818291 534639869 /nfs/dbraw/zinc/63/98/69/534639869.db2.gz NNNLFTHOVIKLEV-WGOQTCKBSA-N 0 0 386.882 6.518 40 30 GKEBRN Clc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)c1 ZINC000409104289 534646263 /nfs/dbraw/zinc/64/62/63/534646263.db2.gz CHWQFWUAUWCAAR-KOEQRZSOSA-N 0 0 392.886 5.720 40 30 GKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000013550063 522972312 /nfs/dbraw/zinc/97/23/12/522972312.db2.gz YHDHJVYRFZIIGO-ODLFYWEKSA-N 0 0 379.393 5.193 40 30 GKEBRN COc1cc2c(cc1/N=C/c1cccc(Br)c1)oc1ccccc12 ZINC000102934873 522996277 /nfs/dbraw/zinc/99/62/77/522996277.db2.gz IJVXJFLPMZJPDY-WSDLNYQXSA-N 0 0 380.241 6.108 40 30 GKEBRN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(Cl)c1 ZINC000101764565 523055583 /nfs/dbraw/zinc/05/55/83/523055583.db2.gz ABJUHDKDTPJXPZ-MSERELCXSA-N 0 0 382.891 5.410 40 30 GKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1 ZINC000005003260 523087042 /nfs/dbraw/zinc/08/70/42/523087042.db2.gz HQXHGOCIQBDQJV-KOEQRZSOSA-N 0 0 380.451 5.265 40 30 GKEBRN COc1ccc(/C(CCCCCCC/C(=N\O)c2ccc(OC)cc2)=N/O)cc1 ZINC000100709066 523366627 /nfs/dbraw/zinc/36/66/27/523366627.db2.gz CNGMHIHKRSWRMO-BQASJOSNSA-N 0 0 398.503 5.491 40 30 GKEBRN COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000005319656 523437268 /nfs/dbraw/zinc/43/72/68/523437268.db2.gz RIUMMYGUWDTJOX-NLRVBDNBSA-N 0 0 394.478 5.290 40 30 GKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000005002599 523446755 /nfs/dbraw/zinc/44/67/55/523446755.db2.gz QKYHZAFNKKHQDI-KOEQRZSOSA-N 0 0 380.451 5.265 40 30 GKEBRN COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 ZINC000102934190 523453196 /nfs/dbraw/zinc/45/31/96/523453196.db2.gz SHKNYZTUABGSNW-OZEVPFDHSA-N 0 0 389.411 5.113 40 30 GKEBRN COc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(OC)cc3)n3ccccc23)cc1 ZINC000005724455 523463871 /nfs/dbraw/zinc/46/38/71/523463871.db2.gz YITNPVVWHZMFFL-CTVDDJEBSA-N 0 0 397.478 5.766 40 30 GKEBRN COc1ccc(/N=C/C=C(/Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000100405301 523464838 /nfs/dbraw/zinc/46/48/38/523464838.db2.gz BDRKGYXCBVIYDH-JJOJRSAGSA-N 0 0 385.492 6.107 40 30 GKEBRN COc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000100662136 523544465 /nfs/dbraw/zinc/54/44/65/523544465.db2.gz TWLQYCWKGFVEDO-SREVYHEPSA-N 0 0 389.295 5.541 40 30 GKEBRN COc1ccc(C(=O)/N=C2\c3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000102923660 523547731 /nfs/dbraw/zinc/54/77/31/523547731.db2.gz HHBHKNDVTAMPLN-NJNXFGOHSA-N 0 0 394.833 5.095 40 30 GKEBRN CC[C@]1(c2ccccc2)CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017105805 523629914 /nfs/dbraw/zinc/62/99/14/523629914.db2.gz DDDFWQHZAHRAMW-VZFXBBDVSA-N 0 0 382.420 5.193 40 30 GKEBRN CCc1ccc(-c2cs/c(=N/C)n2/N=C/c2ccc(N(CC)CC)cc2)cc1 ZINC000102960323 523858216 /nfs/dbraw/zinc/85/82/16/523858216.db2.gz HLWQCLMPEFWLOF-QNSIDEIMSA-N 0 0 392.572 5.038 40 30 GKEBRN CCc1ccc(/N=C\c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 ZINC000104243379 523877380 /nfs/dbraw/zinc/87/73/80/523877380.db2.gz NPPYCQILHMEJSD-XYGWBWBKSA-N 0 0 389.451 5.236 40 30 GKEBRN C[C@@H](C(=O)Nc1cccc(NC=C2C(=O)C=Cc3ccccc32)c1)c1ccccc1 ZINC000100473271 524270189 /nfs/dbraw/zinc/27/01/89/524270189.db2.gz UADRPWLRVLBVBC-ZDSQJECRSA-N 0 0 394.474 5.478 40 30 GKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000408869203 534782683 /nfs/dbraw/zinc/78/26/83/534782683.db2.gz RSAAQLBIRIGNQZ-HMAPJEAMSA-N 0 0 398.462 6.024 40 30 GKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)s1 ZINC000408964056 534783271 /nfs/dbraw/zinc/78/32/71/534783271.db2.gz FNMNPDXTKOUKBY-UXBLZVDNSA-N 0 0 389.716 5.600 40 30 GKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408754266 534783288 /nfs/dbraw/zinc/78/32/88/534783288.db2.gz JTJLMMWSUNDBLB-LGMDPLHJSA-N 0 0 378.478 5.322 40 30 GKEBRN Cc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000409375248 534794139 /nfs/dbraw/zinc/79/41/39/534794139.db2.gz HSYHCHBUMPLOJB-MXAYSNPKSA-N 0 0 396.849 5.556 40 30 GKEBRN Cc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196766 524630561 /nfs/dbraw/zinc/63/05/61/524630561.db2.gz XIRWJUZHTYDKHQ-DHRITJCHSA-N 0 0 399.321 6.005 40 30 GKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000409088723 534818976 /nfs/dbraw/zinc/81/89/76/534818976.db2.gz XPOSGCXCLUMFHO-ZHZULCJRSA-N 0 0 389.838 5.264 40 30 GKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3ccc(O)cc3)sc3c2CCCC3)cc1 ZINC000100386169 525228293 /nfs/dbraw/zinc/22/82/93/525228293.db2.gz XPCWRZBZHKMQEM-ZVHZXABRSA-N 0 0 390.508 5.644 40 30 GKEBRN Cc1ccc(O)c(/C(CCCCCCC/C(=N\O)c2cc(C)ccc2O)=N/O)c1 ZINC000006189435 525331794 /nfs/dbraw/zinc/33/17/94/525331794.db2.gz RPNPFNBXESCWCL-CTWPWMDCSA-N 0 0 398.503 5.502 40 30 GKEBRN O=C1c2ccccc2C(=O)C1=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000409390835 534848831 /nfs/dbraw/zinc/84/88/31/534848831.db2.gz FWXDFQRBYFYDQF-UHFFFAOYSA-N 0 0 390.438 5.881 40 30 GKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccs1)C2=O ZINC000253497827 525348676 /nfs/dbraw/zinc/34/86/76/525348676.db2.gz IWWSCPLMANPYFX-GPQLGGQCSA-N 0 0 382.569 5.634 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1[C@@H]2C(=O)C=C2CCCC[C@@H]21 ZINC000118936481 525350980 /nfs/dbraw/zinc/35/09/80/525350980.db2.gz RWSNWUWVSNWYPS-QMRZXGTJSA-N 0 0 394.599 5.852 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#Cc1ccccc1 ZINC000118915133 525354227 /nfs/dbraw/zinc/35/42/27/525354227.db2.gz 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/nfs/dbraw/zinc/19/64/07/528196407.db2.gz QEARIBNOFPARAL-ZVHZXABRSA-N 0 0 380.875 5.675 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc43)c2C)cc1 ZINC000100212177 528196629 /nfs/dbraw/zinc/19/66/29/528196629.db2.gz HQAQHUMMUUMMIQ-WPWMEQJKSA-N 0 0 396.490 6.175 40 30 GKEBRN CCOc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(F)cc1 ZINC000409058070 528199477 /nfs/dbraw/zinc/19/94/77/528199477.db2.gz SFYFBHWDONOAJV-SSDVNMTOSA-N 0 0 385.464 5.014 40 30 GKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1O[C@H](C)CC ZINC000408594602 528201362 /nfs/dbraw/zinc/20/13/62/528201362.db2.gz IUCPPHYHBMIEDN-GMJSKMFWSA-N 0 0 386.879 5.338 40 30 GKEBRN CC1CCN(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1 ZINC000408526471 528232868 /nfs/dbraw/zinc/23/28/68/528232868.db2.gz BMSXFUQQSIJXBT-UHFFFAOYSA-N 0 0 399.494 5.156 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)c1 ZINC000408967756 528245987 /nfs/dbraw/zinc/24/59/87/528245987.db2.gz RXVHEYTVQILFFC-WGOQTCKBSA-N 0 0 388.511 6.145 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)c1 ZINC000408966637 528246625 /nfs/dbraw/zinc/24/66/25/528246625.db2.gz MOWLMVBYQKYQSO-BUVRLJJBSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)c1 ZINC000408966976 528246708 /nfs/dbraw/zinc/24/67/08/528246708.db2.gz OMRDWYNTJRBZAA-AFUMVMLFSA-N 0 0 378.447 5.469 40 30 GKEBRN CCOC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409100605 528247137 /nfs/dbraw/zinc/24/71/37/528247137.db2.gz QPDYZYUTCOCMRY-IWIPYMOSSA-N 0 0 395.911 6.419 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000409388844 528292663 /nfs/dbraw/zinc/29/26/63/528292663.db2.gz XQMBJEWVVROEDG-WGOQTCKBSA-N 0 0 399.450 6.268 40 30 GKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc1 ZINC000408723815 528293218 /nfs/dbraw/zinc/29/32/18/528293218.db2.gz QUULNUGDKDLNCB-XSFVSMFZSA-N 0 0 379.529 5.041 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000408855564 528293388 /nfs/dbraw/zinc/29/33/88/528293388.db2.gz OCXVUAZNZVBDDU-KGENOOAVSA-N 0 0 390.325 5.239 40 30 GKEBRN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000409254956 528293560 /nfs/dbraw/zinc/29/35/60/528293560.db2.gz YNUKOCRVKKPISC-WJGQKVTCSA-N 0 0 397.519 5.296 40 30 GKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409092531 528293809 /nfs/dbraw/zinc/29/38/09/528293809.db2.gz WVLFZJOYNBBHSJ-CVLFLDGLSA-N 0 0 393.600 6.368 40 30 GKEBRN CCN(CC)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409234759 528293912 /nfs/dbraw/zinc/29/39/12/528293912.db2.gz YAPJPWUZEDTAFH-VEILYXNESA-N 0 0 399.513 6.426 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3C(=O)OC)c2C)cc1 ZINC000409187006 528358628 /nfs/dbraw/zinc/35/86/28/528358628.db2.gz KSVDILAIZFMNOT-IWIPYMOSSA-N 0 0 376.456 5.030 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000409187021 528358649 /nfs/dbraw/zinc/35/86/49/528358649.db2.gz KXOXACTXKGJFPW-CFRMEGHHSA-N 0 0 387.310 6.550 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)cc1 ZINC000409187110 528358806 /nfs/dbraw/zinc/35/88/06/528358806.db2.gz MEIXEBSCCHZOSC-MFKUBSTISA-N 0 0 390.483 5.338 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 ZINC000409187799 528358822 /nfs/dbraw/zinc/35/88/22/528358822.db2.gz UKSXMHUYFGNQDT-MFKUBSTISA-N 0 0 390.483 5.338 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000409187518 528359032 /nfs/dbraw/zinc/35/90/32/528359032.db2.gz RLFVLBFFUUQEEX-NLRVBDNBSA-N 0 0 389.543 6.090 40 30 GKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)cc1 ZINC000409189664 528359122 /nfs/dbraw/zinc/35/91/22/528359122.db2.gz MNUIPOTVNNKKGB-UCQKPKSFSA-N 0 0 397.316 6.006 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1 ZINC000408907091 528368357 /nfs/dbraw/zinc/36/83/57/528368357.db2.gz LSICOQORVQJCJH-XGHAMVSDSA-N 0 0 380.513 5.326 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 ZINC000408915896 528369099 /nfs/dbraw/zinc/36/90/99/528369099.db2.gz RNRJSURLDGOQEP-OTKAWYOPSA-N 0 0 394.540 5.796 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 ZINC000408915895 528369739 /nfs/dbraw/zinc/36/97/39/528369739.db2.gz RNRJSURLDGOQEP-JJDFSSEZSA-N 0 0 394.540 5.796 40 30 GKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408912025 528369779 /nfs/dbraw/zinc/36/97/79/528369779.db2.gz KJEKTTVLEPESHP-NFEGURHZSA-N 0 0 394.540 5.654 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)cc1Cl ZINC000408781677 528370986 /nfs/dbraw/zinc/37/09/86/528370986.db2.gz CUSCQCLVNOQMBR-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943958 528374102 /nfs/dbraw/zinc/37/41/02/528374102.db2.gz SWEHTJWOVUMFOE-GLTSGNHPSA-N 0 0 394.518 6.662 40 30 GKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1 ZINC000006962125 528374112 /nfs/dbraw/zinc/37/41/12/528374112.db2.gz CHXITVBXIQXMIT-FYJGNVAPSA-N 0 0 392.293 5.396 40 30 GKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409082404 528374828 /nfs/dbraw/zinc/37/48/28/528374828.db2.gz LYNXITRSFFMMER-FRQJIFLKSA-N 0 0 396.556 5.929 40 30 GKEBRN CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C#N)c1-c1ccccc1 ZINC000409119342 528398340 /nfs/dbraw/zinc/39/83/40/528398340.db2.gz TVBADGXETWEWQF-UHFFFAOYSA-N 0 0 390.464 5.024 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908498 528449956 /nfs/dbraw/zinc/44/99/56/528449956.db2.gz FIEXVFNWIMFLEN-NVZLDUMVSA-N 0 0 394.540 5.716 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408908493 528450175 /nfs/dbraw/zinc/45/01/75/528450175.db2.gz FHKFZSHJQYOJBC-KLPPEWMLSA-N 0 0 395.484 5.307 40 30 GKEBRN CCCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912689 528450441 /nfs/dbraw/zinc/45/04/41/528450441.db2.gz LMQCQEGETQNLQG-OCIPIQTLSA-N 0 0 380.513 5.408 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409116436 528471337 /nfs/dbraw/zinc/47/13/37/528471337.db2.gz MLHNNTUORRVHIX-ZVHZXABRSA-N 0 0 386.278 6.935 40 30 GKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(CC)C1=O ZINC000409095659 528471345 /nfs/dbraw/zinc/47/13/45/528471345.db2.gz HZTFBTQZICSZNG-FNUYTPMSSA-N 0 0 386.904 5.363 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)cc1 ZINC000408951805 528483666 /nfs/dbraw/zinc/48/36/66/528483666.db2.gz KDRXYABZHWTPEW-XSFVSMFZSA-N 0 0 390.464 5.237 40 30 GKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000408744126 528483683 /nfs/dbraw/zinc/48/36/83/528483683.db2.gz YUFNVMYABAYZMS-YBEGLDIGSA-N 0 0 393.295 5.284 40 30 GKEBRN CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1cccc(C(F)(F)F)c1 ZINC000409190984 528542394 /nfs/dbraw/zinc/54/23/94/528542394.db2.gz XPXXBBQGMIDKIA-WJDWOHSUSA-N 0 0 397.780 5.101 40 30 GKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000408854091 528564380 /nfs/dbraw/zinc/56/43/80/528564380.db2.gz XHSWZIIYSGIGOG-LFVJCYFKSA-N 0 0 380.875 5.838 40 30 GKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000408563551 528595537 /nfs/dbraw/zinc/59/55/37/528595537.db2.gz NFDQEJNOGMQBDH-ZELAZJAISA-N 0 0 393.527 6.589 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(I)cc2)C1 ZINC000408562725 528597806 /nfs/dbraw/zinc/59/78/06/528597806.db2.gz AVOORJCKEYFRSI-FNDVETGQSA-N 0 0 397.300 5.392 40 30 GKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3)sc2C1 ZINC000408583189 528598515 /nfs/dbraw/zinc/59/85/15/528598515.db2.gz SGNGQKGCZNEFGS-OAHLLOKOSA-N 0 0 398.597 5.892 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000408563381 528598699 /nfs/dbraw/zinc/59/86/99/528598699.db2.gz LKHCUTGLYDCDJP-QZZNQRLBSA-N 0 0 393.527 6.589 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000408563327 528598739 /nfs/dbraw/zinc/59/87/39/528598739.db2.gz LEUCXNHOWPVACA-QZZNQRLBSA-N 0 0 393.527 6.589 40 30 GKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000408563947 528598965 /nfs/dbraw/zinc/59/89/65/528598965.db2.gz SNNRQDZENOREQK-GVJQPLCZSA-N 0 0 397.946 7.234 40 30 GKEBRN CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O ZINC000408963605 528624101 /nfs/dbraw/zinc/62/41/01/528624101.db2.gz CRGMQAKZOHAILT-DEDYPNTBSA-N 0 0 392.455 5.269 40 30 GKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408530559 528640713 /nfs/dbraw/zinc/64/07/13/528640713.db2.gz JTLXBDSNYIHETL-ZHZULCJRSA-N 0 0 396.512 5.074 40 30 GKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 ZINC000408915670 528640744 /nfs/dbraw/zinc/64/07/44/528640744.db2.gz QLVJAJVEZGPDRC-RERTVAKNSA-N 0 0 394.540 5.662 40 30 GKEBRN CCCCOc1ccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)cc1 ZINC000408603476 528658057 /nfs/dbraw/zinc/65/80/57/528658057.db2.gz RCGQQPOMRDZPQF-QGOAFFKASA-N 0 0 386.904 5.411 40 30 GKEBRN CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000409063085 528691530 /nfs/dbraw/zinc/69/15/30/528691530.db2.gz GSGGMBTVCRVJMN-WGOQTCKBSA-N 0 0 388.536 6.581 40 30 GKEBRN CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000408899723 528713912 /nfs/dbraw/zinc/71/39/12/528713912.db2.gz VLWJJZXYXDHJRQ-UHFFFAOYSA-N 0 0 393.527 5.059 40 30 GKEBRN CCCn1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 ZINC000409041157 528809976 /nfs/dbraw/zinc/80/99/76/528809976.db2.gz ZITWVWTZZVZYOB-MWYAZZEHSA-N 0 0 397.338 5.382 40 30 GKEBRN CCCn1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc21 ZINC000409038533 528810040 /nfs/dbraw/zinc/81/00/40/528810040.db2.gz PABYESAPARIGOO-WMDMUMDLSA-N 0 0 395.375 5.810 40 30 GKEBRN CC/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C(=O)N1CC ZINC000223473133 528829554 /nfs/dbraw/zinc/82/95/54/528829554.db2.gz HWKIIBZKVZFNTP-QFGKFHJGSA-N 0 0 383.561 5.021 40 30 GKEBRN CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CC ZINC000408851932 528829743 /nfs/dbraw/zinc/82/97/43/528829743.db2.gz BTDSJTRKJTXDFZ-WPKWFYOXSA-N 0 0 395.311 5.566 40 30 GKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N1CC ZINC000408785866 528830041 /nfs/dbraw/zinc/83/00/41/528830041.db2.gz IVLSSQDIFLWQMI-JLZFKDTQSA-N 0 0 387.936 5.060 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 ZINC000409073488 528942917 /nfs/dbraw/zinc/94/29/17/528942917.db2.gz ZIQWMLAGWZQCBA-OIBHPTRJSA-N 0 0 395.503 5.050 40 30 GKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccccc1 ZINC000409021757 528943788 /nfs/dbraw/zinc/94/37/88/528943788.db2.gz XLAFERAOZKLBLC-RFWMZAAKSA-N 0 0 399.475 5.442 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409236225 528944182 /nfs/dbraw/zinc/94/41/82/528944182.db2.gz SATQXXBDRKHTNO-CULIXBNTSA-N 0 0 394.393 5.468 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C ZINC000408914184 528944243 /nfs/dbraw/zinc/94/42/43/528944243.db2.gz WAXJRXPRUXHJBW-ZSICUCBDSA-N 0 0 378.541 6.051 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1c(C)cccc1C ZINC000408915386 528944495 /nfs/dbraw/zinc/94/44/95/528944495.db2.gz ZZAMNIJCUUKRCH-BPRJVQAXSA-N 0 0 388.895 5.720 40 30 GKEBRN CCN1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409229033 528944693 /nfs/dbraw/zinc/94/46/93/528944693.db2.gz IQQCYJZGGGBFSQ-GQTZOHIDSA-N 0 0 395.503 5.072 40 30 GKEBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409230360 528944912 /nfs/dbraw/zinc/94/49/12/528944912.db2.gz CGHNSHOYQUTNNW-SIEMAEAWSA-N 0 0 399.535 5.623 40 30 GKEBRN CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N/c1ccc(OC)cc1 ZINC000409230873 528944931 /nfs/dbraw/zinc/94/49/31/528944931.db2.gz GVOJTTVURVSYPR-CKAZZZDQSA-N 0 0 390.867 5.112 40 30 GKEBRN CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1c(C)cccc1C ZINC000408914773 528944948 /nfs/dbraw/zinc/94/49/48/528944948.db2.gz XPFIIAQHDLWIGJ-RVFNTIOESA-N 0 0 375.497 5.409 40 30 GKEBRN CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1c(C)cccc1C ZINC000408906990 528945291 /nfs/dbraw/zinc/94/52/91/528945291.db2.gz FSQCYXCKOMRCNB-LPCFMYKTSA-N 0 0 386.520 6.081 40 30 GKEBRN CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408911139 528945702 /nfs/dbraw/zinc/94/57/02/528945702.db2.gz JEMJJIHCMSNZRC-DYEBMTOPSA-N 0 0 375.497 5.111 40 30 GKEBRN CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N\c1cc(C)ccc1C ZINC000408915394 528945944 /nfs/dbraw/zinc/94/59/44/528945944.db2.gz ZZZCZFHHYOXHNG-DYEBMTOPSA-N 0 0 380.513 5.244 40 30 GKEBRN CCCCc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 ZINC000408748490 529017322 /nfs/dbraw/zinc/01/73/22/529017322.db2.gz AXLTWTFLFSGVQN-OYKKKHCWSA-N 0 0 391.475 5.186 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Br)c2)cc1OC ZINC000409382284 529186628 /nfs/dbraw/zinc/18/66/28/529186628.db2.gz MNTJYSRJKAEPMQ-OVMKCGGTSA-N 0 0 396.712 6.039 40 30 GKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C(=O)OC)c2)cc1OC ZINC000409387854 529186819 /nfs/dbraw/zinc/18/68/19/529186819.db2.gz SEQUQPCNEVQYJN-QGNWGPJTSA-N 0 0 375.852 5.063 40 30 GKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc1Cl ZINC000409019584 529192177 /nfs/dbraw/zinc/19/21/77/529192177.db2.gz ZTACPEHEBPSENX-JHAVZTMOSA-N 0 0 380.271 5.708 40 30 GKEBRN CC[C@H](C)n1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 ZINC000409217062 529285016 /nfs/dbraw/zinc/28/50/16/529285016.db2.gz NQJDLXQMZANDEN-BBQTXBMFSA-N 0 0 383.561 5.701 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408916044 529349905 /nfs/dbraw/zinc/34/99/05/529349905.db2.gz UCHUDRCYKRSMJO-SAFFEFKRSA-N 0 0 396.512 5.112 40 30 GKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408916237 529350011 /nfs/dbraw/zinc/35/00/11/529350011.db2.gz WJQJVLVYADIWJN-YWRZKIKVSA-N 0 0 395.484 5.306 40 30 GKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C ZINC000005380451 560201514 /nfs/dbraw/zinc/20/15/14/560201514.db2.gz QYSXJUFSXHHAJI-RYANTQFCSA-N 0 0 384.648 7.619 40 30 biogenic,in-vitro GKEBRN COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OC ZINC000012417611 570237479 /nfs/dbraw/zinc/23/74/79/570237479.db2.gz XETBEGZTRLGUPD-UHFFFAOYSA-N 0 0 390.564 5.581 40 30 GKEBRN O=C(Nc1cccc(Cl)c1)Nc1ccccc1NCC#CC#Cc1ccccc1 ZINC000016451148 570249669 /nfs/dbraw/zinc/24/96/69/570249669.db2.gz UUPBQCCKWNJZTL-UHFFFAOYSA-N 0 0 399.881 5.451 40 30 GKEBRN C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000016711527 570249773 /nfs/dbraw/zinc/24/97/73/570249773.db2.gz KCPXJWKXLBHFPC-DQRAZIAOSA-N 0 0 379.485 5.468 40 30 GKEBRN CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000001438431 570263170 /nfs/dbraw/zinc/26/31/70/570263170.db2.gz JLXLNEWDOQBMDW-NRFANRHFSA-N 0 0 387.435 5.186 40 30 GKEBRN CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)OCC ZINC000100921904 570279232 /nfs/dbraw/zinc/27/92/32/570279232.db2.gz GXGFJTVPQIMWIG-UHFFFAOYSA-N 0 0 383.617 6.269 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(NC(C)=O)cc1 ZINC000582467909 570280164 /nfs/dbraw/zinc/28/01/64/570280164.db2.gz IERMJVLUJRXSGQ-UHFFFAOYSA-N 0 0 383.904 5.247 40 30 GKEBRN O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000101057680 570280709 /nfs/dbraw/zinc/28/07/09/570280709.db2.gz JCUXFFHIALBGGI-CIAFOILYSA-N 0 0 397.228 5.481 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1cccc2ccccc21 ZINC000020761236 570281711 /nfs/dbraw/zinc/28/17/11/570281711.db2.gz OIYWRUQKOZEOJB-MTDXEUNCSA-N 0 0 396.490 5.551 40 30 GKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000020762836 570282539 /nfs/dbraw/zinc/28/25/39/570282539.db2.gz VBFCDTLEMYQJMY-ZVHZXABRSA-N 0 0 380.875 5.051 40 30 GKEBRN CC(C)CCOc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000006375346 570283573 /nfs/dbraw/zinc/28/35/73/570283573.db2.gz MEIQWEPWLVEEAH-WYMPLXKRSA-N 0 0 384.829 6.230 40 30 GKEBRN Fc1cc(Br)cc(Cl)c1OC(F)(F)[C@H](F)C(F)(F)F ZINC000002575680 570291247 /nfs/dbraw/zinc/29/12/47/570291247.db2.gz PUFFLGSHGUPXBD-SSDOTTSWSA-N 0 0 375.465 5.114 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223564970 570294725 /nfs/dbraw/zinc/29/47/25/570294725.db2.gz AJADIHRBHGYOLM-CCRNYGKSSA-N 0 0 384.545 5.410 40 30 GKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccccc3O)cc1)N2 ZINC000001458578 570296973 /nfs/dbraw/zinc/29/69/73/570296973.db2.gz QNKUYWSGQXXETI-GVLPBYANSA-N 0 0 380.491 6.278 40 30 GKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)cc3)cc1)N2 ZINC000001460918 570296981 /nfs/dbraw/zinc/29/69/81/570296981.db2.gz XCVAGNAIAKKPKT-DIFDQGGFSA-N 0 0 380.491 6.278 40 30 GKEBRN CCCCCCCCCCCCCCCCCCNC(=O)N1CCCC[C@H]1C ZINC000104165102 570298675 /nfs/dbraw/zinc/29/86/75/570298675.db2.gz HJKSQYHELAKUJY-XMMPIXPASA-N 0 0 394.688 7.832 40 30 GKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000003190413 570299981 /nfs/dbraw/zinc/29/99/81/570299981.db2.gz ZDRYUVZOHMMZRK-FYJGNVAPSA-N 0 0 377.356 5.354 40 30 GKEBRN CCCCCC/C=C/CCCCCCCCC(=O)c1cccc(OC)c1OC ZINC000104272869 570300189 /nfs/dbraw/zinc/30/01/89/570300189.db2.gz WKMIZTKNDGODPV-MDZDMXLPSA-N 0 0 388.592 7.534 40 30 GKEBRN CCCCCCCCCCCCCC1=NC[C@@H](c2ccc3ccccc3c2)O1 ZINC000104256075 570300210 /nfs/dbraw/zinc/30/02/10/570300210.db2.gz XRBJGOFGCKTRER-VWLOTQADSA-N 0 0 379.588 8.011 40 30 GKEBRN N#CCCN(CCC#N)c1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 ZINC000104275660 570300699 /nfs/dbraw/zinc/30/06/99/570300699.db2.gz MSFIHEKOJIPLNC-PCLIKHOPSA-N 0 0 385.496 5.194 40 30 GKEBRN CCOC(=O)c1ccc(/N=N/c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000104283857 570300837 /nfs/dbraw/zinc/30/08/37/570300837.db2.gz DXZDIMFXDBISEA-OCEACIFDSA-N 0 0 389.459 5.221 40 30 GKEBRN O=C(C=Cc1ccccc1)C(C(=O)c1ccccc1)=C([O-])C=Cc1ccccc1 ZINC000104345364 570301620 /nfs/dbraw/zinc/30/16/20/570301620.db2.gz ZMDNJCKNYGMXBO-JQNBNMKOSA-N 0 0 380.443 5.051 40 30 GKEBRN Cc1ccc(/N=C2/c3ccccc3-c3ccc(NC(=O)c4ccccc4)cc32)cc1 ZINC000104334027 570301636 /nfs/dbraw/zinc/30/16/36/570301636.db2.gz XIGXZAQWWAIPHR-SGEDCAFJSA-N 0 0 388.470 6.397 40 30 GKEBRN C=CCOC(=O)c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000216818532 570301728 /nfs/dbraw/zinc/30/17/28/570301728.db2.gz WDYNPAATNYWNLB-UHFFFAOYSA-N 0 0 381.653 5.024 40 30 GKEBRN CCCCCCCCCCCCCCCC/N=C/c1ccc(Cl)cc1Cl ZINC000104364169 570301968 /nfs/dbraw/zinc/30/19/68/570301968.db2.gz DZKAWEOUCOQMJK-LHLOQNFPSA-N 0 0 398.462 8.894 40 30 GKEBRN CCCCCCCCCCCCCCCC/N=C\c1ccc(Cl)c(Cl)c1 ZINC000104364174 570301970 /nfs/dbraw/zinc/30/19/70/570301970.db2.gz FZGLRFAINISFGU-QOMWVZHYSA-N 0 0 398.462 8.894 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1cc(Cl)ccc1O ZINC000104373368 570302175 /nfs/dbraw/zinc/30/21/75/570302175.db2.gz AHKMBBXJICQCGO-XQNSMLJCSA-N 0 0 398.016 5.765 40 30 GKEBRN CCCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCCC ZINC000104376462 570302218 /nfs/dbraw/zinc/30/22/18/570302218.db2.gz UZHVXCIQANJNCQ-WDAKLKSISA-N 0 0 382.662 6.704 40 30 GKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000104373403 570302289 /nfs/dbraw/zinc/30/22/89/570302289.db2.gz WZRZSLPSULMURH-OQKWZONESA-N 0 0 392.569 5.314 40 30 GKEBRN CCCC/C=N\NC(=S)NCCCCCCCCCCCCCCCC ZINC000104376907 570302300 /nfs/dbraw/zinc/30/23/00/570302300.db2.gz IONSLGUKLOCFAL-FLFQWRMESA-N 0 0 383.690 7.108 40 30 GKEBRN C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)SC1=S ZINC000208307241 570309689 /nfs/dbraw/zinc/30/96/89/570309689.db2.gz ZLTQXZBCZYQZGB-IIMQCXAKSA-N 0 0 386.586 5.186 40 30 GKEBRN C=CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O ZINC000208469137 570310362 /nfs/dbraw/zinc/31/03/62/570310362.db2.gz OLKAIIJYRFADJS-MFOYZWKCSA-N 0 0 388.920 5.194 40 30 GKEBRN CCc1cccc(C)c1NC(=O)CSc1nc2c(C)cccc2cc1C#N ZINC000004849026 570318478 /nfs/dbraw/zinc/31/84/78/570318478.db2.gz WDPZIAVABRFROL-UHFFFAOYSA-N 0 0 375.497 5.017 40 30 GKEBRN Cc1nc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)sc1C ZINC000035310931 570322781 /nfs/dbraw/zinc/32/27/81/570322781.db2.gz QATYEDNIYXABQU-UHFFFAOYSA-N 0 0 396.541 5.034 40 30 GKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(C(C)C)cc3)nc2c1 ZINC000035311879 570323145 /nfs/dbraw/zinc/32/31/45/570323145.db2.gz WSVXBEMICPYDOI-UHFFFAOYSA-N 0 0 375.497 5.269 40 30 GKEBRN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000003184668 570331560 /nfs/dbraw/zinc/33/15/60/570331560.db2.gz WLZCEYMEWJDHSO-CVKSISIWSA-N 0 0 388.898 7.196 40 30 GKEBRN C=CCOc1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000408573968 570341924 /nfs/dbraw/zinc/34/19/24/570341924.db2.gz GGJMFIVMXXAZET-UHFFFAOYSA-N 0 0 389.520 6.104 40 30 GKEBRN CCCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000408628950 570348598 /nfs/dbraw/zinc/34/85/98/570348598.db2.gz YOYOACPFNDBKHM-CYBMUJFWSA-N 0 0 391.606 5.164 40 30 GKEBRN CCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000408629068 570348857 /nfs/dbraw/zinc/34/88/57/570348857.db2.gz KWVWGNSNURBNTK-MRXNPFEDSA-N 0 0 396.556 5.812 40 30 GKEBRN CCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000408629174 570348904 /nfs/dbraw/zinc/34/89/04/570348904.db2.gz NVJMRTHTZHFUMI-MRXNPFEDSA-N 0 0 396.556 5.812 40 30 GKEBRN N#Cc1c2c(sc1NC(=O)COc1ccc(C3CCCCC3)cc1)CCC2 ZINC000408629211 570348996 /nfs/dbraw/zinc/34/89/96/570348996.db2.gz PZYMVUIIEXFEOC-UHFFFAOYSA-N 0 0 380.513 5.174 40 30 GKEBRN Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000408629326 570349319 /nfs/dbraw/zinc/34/93/19/570349319.db2.gz XBDXVKJXLWZIMD-OAHLLOKOSA-N 0 0 382.529 5.097 40 30 GKEBRN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000408629312 570349335 /nfs/dbraw/zinc/34/93/35/570349335.db2.gz WLMJOWOKSKDDOZ-MRXNPFEDSA-N 0 0 396.556 5.810 40 30 GKEBRN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)cc3)on1)CCCC2 ZINC000004880551 570354406 /nfs/dbraw/zinc/35/44/06/570354406.db2.gz UIZSHRHHUKBKDD-UHFFFAOYSA-N 0 0 383.860 5.059 40 30 GKEBRN Cc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000006278658 570356258 /nfs/dbraw/zinc/35/62/58/570356258.db2.gz FBFGEEHADPMBSU-CQSZACIVSA-N 0 0 397.500 5.240 40 30 GKEBRN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000006282488 570360281 /nfs/dbraw/zinc/36/02/81/570360281.db2.gz OFWNWCHXWHNREV-UHFFFAOYSA-N 0 0 396.406 5.199 40 30 GKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118921017 570367695 /nfs/dbraw/zinc/36/76/95/570367695.db2.gz QNTASHOAVRSLMD-XJHJDHAPSA-N 0 0 399.663 7.858 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CC[C@H]2Oc1ccccc1 ZINC000118927541 570368412 /nfs/dbraw/zinc/36/84/12/570368412.db2.gz FTBCCQMRVHGCFJ-VVQSFYORSA-N 0 0 378.512 5.145 40 30 GKEBRN COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004384817 570372546 /nfs/dbraw/zinc/37/25/46/570372546.db2.gz YLHCSTUCMOQAER-NRFANRHFSA-N 0 0 381.497 5.303 40 30 GKEBRN COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004384818 570372572 /nfs/dbraw/zinc/37/25/72/570372572.db2.gz YLHCSTUCMOQAER-OAQYLSRUSA-N 0 0 381.497 5.303 40 30 GKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000219801481 570373316 /nfs/dbraw/zinc/37/33/16/570373316.db2.gz SAOGGWUUSKLTQI-UHFFFAOYSA-N 0 0 375.493 5.796 40 30 GKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219817341 570373403 /nfs/dbraw/zinc/37/34/03/570373403.db2.gz SSGQRRSVAKQLHJ-MOPGFXCFSA-N 0 0 394.584 5.692 40 30 GKEBRN C=C(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000219782573 570373453 /nfs/dbraw/zinc/37/34/53/570373453.db2.gz QWRFMMUMLFREBN-UHFFFAOYSA-N 0 0 393.870 6.340 40 30 GKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000219779050 570373477 /nfs/dbraw/zinc/37/34/77/570373477.db2.gz IEYBKANNXUELAU-UHFFFAOYSA-N 0 0 389.520 6.186 40 30 GKEBRN CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@H](CCCC)C[C@@H]1C#N ZINC000004416942 570374497 /nfs/dbraw/zinc/37/44/97/570374497.db2.gz WGKZWDKWFFLRAI-VVBYAVMISA-N 0 0 387.608 7.139 40 30 GKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4ccccc43)sc2C1 ZINC000006323092 570380649 /nfs/dbraw/zinc/38/06/49/570380649.db2.gz ILOQEEDJVBOOKB-MRXNPFEDSA-N 0 0 391.540 5.364 40 30 GKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000006880630 570384974 /nfs/dbraw/zinc/38/49/74/570384974.db2.gz IRZQMCBSQZTUGV-CIAFOILYSA-N 0 0 376.294 5.614 40 30 GKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408754633 570392847 /nfs/dbraw/zinc/39/28/47/570392847.db2.gz OBQDWAIUCATFNL-PCLIKHOPSA-N 0 0 379.935 6.344 40 30 GKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000408755582 570393503 /nfs/dbraw/zinc/39/35/03/570393503.db2.gz OQIRNYSHCWAUKU-BIENJYKASA-N 0 0 385.345 5.312 40 30 GKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cn(CC)c4ccccc34)S2)cc1 ZINC000408756663 570394061 /nfs/dbraw/zinc/39/40/61/570394061.db2.gz TXWYNCMGTQBSHR-MOSHPQCFSA-N 0 0 375.497 5.115 40 30 GKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OC ZINC000006959075 570403084 /nfs/dbraw/zinc/40/30/84/570403084.db2.gz IPCCZSJIIYEOBA-KEBDBYFISA-N 0 0 382.685 5.569 40 30 GKEBRN COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl ZINC000408771215 570406124 /nfs/dbraw/zinc/40/61/24/570406124.db2.gz DYIKAOQOUARGJP-CXUHLZMHSA-N 0 0 393.295 5.202 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1C1CCCC1 ZINC000408774860 570407191 /nfs/dbraw/zinc/40/71/91/570407191.db2.gz DHIZSONREPHEEZ-UNOMPAQXSA-N 0 0 383.492 5.251 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 ZINC000408774774 570407276 /nfs/dbraw/zinc/40/72/76/570407276.db2.gz QRUWXWDMMHBPOB-BUVRLJJBSA-N 0 0 392.524 5.743 40 30 GKEBRN Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)NC3=O)o2)cc1Cl ZINC000005006217 570423209 /nfs/dbraw/zinc/42/32/09/570423209.db2.gz XMPANPHWZPLDDJ-UNOMPAQXSA-N 0 0 394.883 5.800 40 30 GKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000005203221 570431432 /nfs/dbraw/zinc/43/14/32/570431432.db2.gz GPUBYNOKVNWERC-FQEVSTJZSA-N 0 0 397.862 5.470 40 30 GKEBRN Cc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000005376309 570436601 /nfs/dbraw/zinc/43/66/01/570436601.db2.gz PALWWCJCNFUBSG-NVNXTCNLSA-N 0 0 396.821 5.559 40 30 GKEBRN C=CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224935496 570440957 /nfs/dbraw/zinc/44/09/57/570440957.db2.gz WBGBMLPNXPRIAP-UHFFFAOYSA-N 0 0 390.719 5.337 40 30 GKEBRN C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224934769 570441884 /nfs/dbraw/zinc/44/18/84/570441884.db2.gz MLPXLBCTYIDPEE-UHFFFAOYSA-N 0 0 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C=CCOc1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 ZINC000225868847 570458267 /nfs/dbraw/zinc/45/82/67/570458267.db2.gz WKZXYNNEPQUUIW-UHFFFAOYSA-N 0 0 394.584 5.792 40 30 GKEBRN C=CCOc1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 ZINC000225868593 570458407 /nfs/dbraw/zinc/45/84/07/570458407.db2.gz MQQCAVPTKIRDDE-UHFFFAOYSA-N 0 0 382.529 5.016 40 30 GKEBRN C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000005838751 570458588 /nfs/dbraw/zinc/45/85/88/570458588.db2.gz UANWMDUDDVNHJV-JYFOCSDGSA-N 0 0 398.289 5.058 40 30 GKEBRN N#CCSc1nc(-c2cccc3ccccc32)cc(-c2ccccc2)c1C#N ZINC000005900018 570461087 /nfs/dbraw/zinc/46/10/87/570461087.db2.gz HWFKWRMJVAFAAA-UHFFFAOYSA-N 0 0 377.472 6.056 40 30 GKEBRN CC(C)[C@@H]1CC[C@@H](C)c2cc(C#N)c(SCc3nc4ccccc4[nH]3)nc21 ZINC000006523129 570465641 /nfs/dbraw/zinc/46/56/41/570465641.db2.gz VFUBCZJYTOOWEB-ZBFHGGJFSA-N 0 0 376.529 5.759 40 30 GKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000008116550 570466243 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CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 ZINC000006869725 570497531 /nfs/dbraw/zinc/49/75/31/570497531.db2.gz YTPZRPHRGGINJQ-AMQBKCJUSA-N 0 0 391.540 5.371 40 30 GKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000027529295 570497656 /nfs/dbraw/zinc/49/76/56/570497656.db2.gz NPTYXOMNNWETDZ-NLRVBDNBSA-N 0 0 383.520 6.622 40 30 GKEBRN Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4O)cc3)oc2c(C)c1 ZINC000000864721 570500156 /nfs/dbraw/zinc/50/01/56/570500156.db2.gz DLWRMALMYZYIRC-WYMPLXKRSA-N 0 0 376.843 6.221 40 30 GKEBRN Cc1ccc2cc(C[C@@H](C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2c1C ZINC000000883110 570508743 /nfs/dbraw/zinc/50/87/43/570508743.db2.gz SFEWMRMQQUCMHL-IBGZPJMESA-N 0 0 391.902 5.443 40 30 GKEBRN Cc1cc2cc(C[C@H](C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C ZINC000000883119 570508843 /nfs/dbraw/zinc/50/88/43/570508843.db2.gz WCPJIGOTZHZCGC-LJQANCHMSA-N 0 0 391.902 5.443 40 30 GKEBRN CCc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2Cl)cc1 ZINC000007983200 570520489 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ZINC000005407104 570584853 /nfs/dbraw/zinc/58/48/53/570584853.db2.gz VZZFXAPIXOEQIZ-UHFFFAOYSA-N 0 0 397.261 5.550 40 30 GKEBRN COc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000003243282 570599638 /nfs/dbraw/zinc/59/96/38/570599638.db2.gz CSEQPLONABSDKY-PCLIKHOPSA-N 0 0 383.451 5.307 40 30 GKEBRN CCN(CC)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000003374933 570609075 /nfs/dbraw/zinc/60/90/75/570609075.db2.gz KUHYQQZOUIPOOX-LEXLDCMNSA-N 0 0 383.495 5.239 40 30 GKEBRN O=C1/C(=C/c2ccccc2)CC[C@]12C[C@H]1CCCC[C@]1(O)O[C@@H]2c1ccccc1 ZINC000004023611 570612909 /nfs/dbraw/zinc/61/29/09/570612909.db2.gz NKLXMIJMKFCEFM-CFQKGTOKSA-N 0 0 388.507 5.460 40 30 GKEBRN Cc1cccc(CCC2(NC(=S)Nc3ccc(CC#N)cc3)CCCC2)c1 ZINC000225853312 570626538 /nfs/dbraw/zinc/62/65/38/570626538.db2.gz IDHUWPCILIOMDM-UHFFFAOYSA-N 0 0 377.557 5.293 40 30 GKEBRN Cc1c(C#N)c(N)n(-c2ccccc2Cl)c(=O)c1/N=N/c1ccccc1Cl ZINC000005536061 570626913 /nfs/dbraw/zinc/62/69/13/570626913.db2.gz QIMCZGLSCRBDTK-OCOZRVBESA-N 0 0 398.253 5.322 40 30 GKEBRN Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000083309923 570628575 /nfs/dbraw/zinc/62/85/75/570628575.db2.gz LJEDCRGSXFOWLW-STZFKDTASA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309959 570628719 /nfs/dbraw/zinc/62/87/19/570628719.db2.gz XCTPMKNSBDOHRB-STZFKDTASA-N 0 0 387.508 5.294 40 30 GKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000083312884 570629218 /nfs/dbraw/zinc/62/92/18/570629218.db2.gz VRQDPFCIJTXPIJ-YACCPEJUSA-N 0 0 393.556 5.579 40 30 GKEBRN C=CCOc1ccc([N+](=O)[O-])cc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000004832616 570633428 /nfs/dbraw/zinc/63/34/28/570633428.db2.gz KSDLJUDYUSXLHO-UHFFFAOYSA-N 0 0 396.487 5.760 40 30 GKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3c(C)cccc3C)c(C#N)cc2c1 ZINC000004849152 570635207 /nfs/dbraw/zinc/63/52/07/570635207.db2.gz HUFJEAKQCTZQEE-UHFFFAOYSA-N 0 0 375.497 5.071 40 30 GKEBRN CCc1cccc(C)c1NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N ZINC000004849085 570635246 /nfs/dbraw/zinc/63/52/46/570635246.db2.gz QPQVASFZVFRXKQ-UHFFFAOYSA-N 0 0 389.524 5.325 40 30 GKEBRN O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)Nc1ccc3ccccc3c12 ZINC000004713463 570636537 /nfs/dbraw/zinc/63/65/37/570636537.db2.gz SMRMDUMFVBYKAK-VWLOTQADSA-N 0 0 393.873 6.658 40 30 GKEBRN CC[C@@H](C)/N=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1cccs1 ZINC000004858991 570639757 /nfs/dbraw/zinc/63/97/57/570639757.db2.gz DDKNVRDBLKXKIJ-PXFSWQRTSA-N 0 0 395.597 6.176 40 30 GKEBRN COc1cc(C=NNc2ccccc2Cl)ccc1OC(=O)c1cccs1 ZINC000004921897 570648868 /nfs/dbraw/zinc/64/88/68/570648868.db2.gz RFFWSDHGWOTBOR-CIAFOILYSA-N 0 0 386.860 5.075 40 30 GKEBRN COc1cc(C=NNc2cccc(Cl)c2)ccc1OC(=O)c1cccs1 ZINC000004921194 570648908 /nfs/dbraw/zinc/64/89/08/570648908.db2.gz ZMMBUKXZNWTSCN-CIAFOILYSA-N 0 0 386.860 5.075 40 30 GKEBRN COc1ccc(OC)c([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)c1 ZINC000004930273 570649369 /nfs/dbraw/zinc/64/93/69/570649369.db2.gz VRXVRERCBSXXOD-XMMPIXPASA-N 0 0 385.463 5.422 40 30 GKEBRN Clc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 ZINC000004932079 570649686 /nfs/dbraw/zinc/64/96/86/570649686.db2.gz CUIOPZHZWNDLCX-VULFUBBASA-N 0 0 397.869 5.878 40 30 GKEBRN CSc1ccccc1/N=C/c1cc(Br)c(Br)o1 ZINC000059104491 570649728 /nfs/dbraw/zinc/64/97/28/570649728.db2.gz AIGDXBHTTOCGAH-VIZOYTHASA-N 0 0 375.085 5.277 40 30 GKEBRN CN(C)c1oc(/C=N/N(c2ccccc2)c2ccccc2)cc1Br ZINC000059104637 570649840 /nfs/dbraw/zinc/64/98/40/570649840.db2.gz CUVJLKXCYTUXJZ-KGENOOAVSA-N 0 0 384.277 5.280 40 30 GKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCCC4)o3)cc2)cc1 ZINC000059138613 570650738 /nfs/dbraw/zinc/65/07/38/570650738.db2.gz GFXLEKHGUPVUOK-PXLXIMEGSA-N 0 0 393.468 5.690 40 30 GKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000059193496 570651196 /nfs/dbraw/zinc/65/11/96/570651196.db2.gz AHXSYIJOPWVSAS-UHFFFAOYSA-N 0 0 393.527 5.347 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000059224320 570651710 /nfs/dbraw/zinc/65/17/10/570651710.db2.gz DKQAPOMNLCMEFI-UUASQNMZSA-N 0 0 397.714 5.847 40 30 GKEBRN C=CCc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(OCC)c1O ZINC000059249442 570652496 /nfs/dbraw/zinc/65/24/96/570652496.db2.gz BYNIKLQXFDJCNA-SRZZPIQSSA-N 0 0 394.696 5.686 40 30 GKEBRN Clc1ccc(Sc2oc(/C=N/c3cccnc3)cc2Br)cc1 ZINC000059249337 570652526 /nfs/dbraw/zinc/65/25/26/570652526.db2.gz IFNZJSIMNCNVCI-KEBDBYFISA-N 0 0 393.693 5.992 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NC2CCC[C@@H]3CC=C4CCCC[C@H]4[C@H]23)c([N+](=O)[O-])c1 ZINC000005002488 570652631 /nfs/dbraw/zinc/65/26/31/570652631.db2.gz RFHIUHRDJRIZSE-LYUVOZDBSA-N 0 0 384.436 5.208 40 30 GKEBRN Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1N1CCCC1 ZINC000059248711 570652689 /nfs/dbraw/zinc/65/26/89/570652689.db2.gz IBBWYGBZECZWOP-HZHRSRAPSA-N 0 0 395.300 6.060 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NC2CCC[C@@H]3CC=C4CCCC[C@H]4[C@@H]23)c([N+](=O)[O-])c1 ZINC000005002490 570652755 /nfs/dbraw/zinc/65/27/55/570652755.db2.gz RFHIUHRDJRIZSE-ABIFJWGJSA-N 0 0 384.436 5.208 40 30 GKEBRN C=CCc1cc(/C=N/c2ccc(C(=O)OCCCC)cc2)cc(OCC)c1O ZINC000059249953 570652995 /nfs/dbraw/zinc/65/29/95/570652995.db2.gz MLTZMPBNUANKMC-LFVJCYFKSA-N 0 0 381.472 5.227 40 30 GKEBRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(F)cc1 ZINC000012406319 570653560 /nfs/dbraw/zinc/65/35/60/570653560.db2.gz VGXKBFMACSIFSA-CPXQOTMNSA-N 0 0 398.481 5.781 40 30 GKEBRN Clc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000059471639 570654679 /nfs/dbraw/zinc/65/46/79/570654679.db2.gz KELVDCOUUNGIGF-UBYIUWKDSA-N 0 0 384.910 6.917 40 30 GKEBRN c1sc(N=NCc2ccccc2OCc2ccccc2)nc1-c1ccccc1 ZINC000004975306 570655414 /nfs/dbraw/zinc/65/54/14/570655414.db2.gz DEQRMEWGZFRELP-BUVRLJJBSA-N 0 0 385.492 5.835 40 30 GKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC ZINC000059387416 570655470 /nfs/dbraw/zinc/65/54/70/570655470.db2.gz HLIANLYNOZCXLG-SRZZPIQSSA-N 0 0 387.892 5.317 40 30 GKEBRN Clc1ccc(-c2nc(N=NCc3ccccc3)sc2-c2ccccc2)cc1 ZINC000059484206 570657894 /nfs/dbraw/zinc/65/78/94/570657894.db2.gz KAFDWRGRNRJMMN-BUVRLJJBSA-N 0 0 389.911 6.577 40 30 GKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484357 570658284 /nfs/dbraw/zinc/65/82/84/570658284.db2.gz MPUBUMHCSSFHPA-PCLIKHOPSA-N 0 0 383.520 6.540 40 30 GKEBRN Cc1ccc(-n2nc(-c3ccccc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000059488282 570658305 /nfs/dbraw/zinc/65/83/05/570658305.db2.gz DIORQPQNXSBCIM-MFKUBSTISA-N 0 0 381.435 5.327 40 30 GKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3cccc4ccccc43)cc1)C2 ZINC000059501485 570659581 /nfs/dbraw/zinc/65/95/81/570659581.db2.gz MAKNTPWMINJZKU-LQKURTRISA-N 0 0 376.503 6.727 40 30 GKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C(\C)c1ccc(OC)cc1 ZINC000005826535 570665045 /nfs/dbraw/zinc/66/50/45/570665045.db2.gz XMJKWFNCVYMSNS-YREHKGDOSA-N 0 0 397.931 5.390 40 30 GKEBRN CCCOc1c(Br)cc(C=NNc2ccccc2)cc1OCC ZINC000409006919 570670610 /nfs/dbraw/zinc/67/06/10/570670610.db2.gz LHXOBIJDEUFEHK-MOSHPQCFSA-N 0 0 377.282 5.083 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1C1CCCC1 ZINC000408771139 570682021 /nfs/dbraw/zinc/68/20/21/570682021.db2.gz DJQBVCWZKSLQFP-BKUYFWCQSA-N 0 0 393.556 5.728 40 30 GKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl ZINC000408772093 570682278 /nfs/dbraw/zinc/68/22/78/570682278.db2.gz ARTIDTKDNZGFRP-WQRHYEAKSA-N 0 0 386.904 5.247 40 30 GKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)cc1 ZINC000408775279 570682687 /nfs/dbraw/zinc/68/26/87/570682687.db2.gz PANJYJMNQDEVGQ-DHRITJCHSA-N 0 0 398.865 5.814 40 30 GKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc(F)c1 ZINC000408933144 570686204 /nfs/dbraw/zinc/68/62/04/570686204.db2.gz HWAPCNICYIBVBS-ROTLSHHCSA-N 0 0 375.369 5.698 40 30 GKEBRN COCCCN1C(=O)/C(=C/c2c(C)cc(C)cc2C)S/C1=N\c1ccccc1 ZINC000408937310 570687474 /nfs/dbraw/zinc/68/74/74/570687474.db2.gz QHQZYWKOPLHZAK-YACCPEJUSA-N 0 0 394.540 5.252 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1 ZINC000408991718 570690541 /nfs/dbraw/zinc/69/05/41/570690541.db2.gz OZHBRPCAMWDGAW-VBKFSLOCSA-N 0 0 393.493 5.026 40 30 GKEBRN COC(=O)c1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1C ZINC000409009069 570692799 /nfs/dbraw/zinc/69/27/99/570692799.db2.gz UERLVMYWXLJCHA-LPYMAVHISA-N 0 0 397.272 5.085 40 30 GKEBRN CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1cccc(F)c1 ZINC000409012394 570693557 /nfs/dbraw/zinc/69/35/57/570693557.db2.gz JTKPMYWOHYMOMI-MPZUNYIRSA-N 0 0 396.418 5.459 40 30 GKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(O)ccc1O ZINC000409052455 570695710 /nfs/dbraw/zinc/69/57/10/570695710.db2.gz SVAFISMINWJAAM-NKVSQWTQSA-N 0 0 394.283 5.364 40 30 GKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000409053594 570696741 /nfs/dbraw/zinc/69/67/41/570696741.db2.gz NLFMMDWWSPASOH-RWEWTDSWSA-N 0 0 397.499 6.219 40 30 GKEBRN Cc1ccccc1C(=O)Nc1cccc(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000003139198 570707486 /nfs/dbraw/zinc/70/74/86/570707486.db2.gz AMKUXEBFBGSPTQ-WGOQTCKBSA-N 0 0 380.447 5.857 40 30 GKEBRN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccc3C(F)(F)F)n2)cc1 ZINC000409052541 570708748 /nfs/dbraw/zinc/70/87/48/570708748.db2.gz URHPIPAQPXNIOE-ZVBGSRNCSA-N 0 0 392.362 5.183 40 30 GKEBRN N#Cc1c(/N=C/c2ccc(O)c(O)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003239281 570724183 /nfs/dbraw/zinc/72/41/83/570724183.db2.gz JYRVTXRTAORPRL-CVKSISIWSA-N 0 0 380.403 5.647 40 30 GKEBRN Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000005337320 570732001 /nfs/dbraw/zinc/73/20/01/570732001.db2.gz KTKRNQZINZVBHA-XGTJUPEUSA-N 0 0 378.519 6.881 40 30 GKEBRN Cc1c(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)c2ccccc2n1C ZINC000005570487 570733902 /nfs/dbraw/zinc/73/39/02/570733902.db2.gz XMYVAATVLSMAQY-WOJGMQOQSA-N 0 0 381.888 5.032 40 30 GKEBRN Clc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000005685070 570734493 /nfs/dbraw/zinc/73/44/93/570734493.db2.gz ZSPQPHXEQPKTOB-BUVRLJJBSA-N 0 0 389.911 6.577 40 30 GKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409103809 570737236 /nfs/dbraw/zinc/73/72/36/570737236.db2.gz WVZAPXRWZUKYBS-UUYOSTAYSA-N 0 0 379.287 5.361 40 30 GKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000409107034 570738396 /nfs/dbraw/zinc/73/83/96/570738396.db2.gz OJQIMWSMTZLPTB-OVVQPSECSA-N 0 0 399.946 7.909 40 30 GKEBRN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(OCC)c2O)c1 ZINC000006263827 570740363 /nfs/dbraw/zinc/74/03/63/570740363.db2.gz UYNHQGHDGUIWTA-SSDVNMTOSA-N 0 0 395.286 5.587 40 30 GKEBRN COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000006338084 570742852 /nfs/dbraw/zinc/74/28/52/570742852.db2.gz RWAODMXCOMBDJH-ACCUITESSA-N 0 0 378.855 5.824 40 30 GKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1 ZINC000006441535 570743340 /nfs/dbraw/zinc/74/33/40/570743340.db2.gz PIRLIZORMVCDJY-UHFFFAOYSA-N 0 0 385.920 5.009 40 30 GKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCC ZINC000006959578 570753941 /nfs/dbraw/zinc/75/39/41/570753941.db2.gz IREPXQJYDCKVKW-CIAFOILYSA-N 0 0 376.294 5.614 40 30 GKEBRN CCOc1c(Br)cc(/C=N/c2ccccc2)cc1Br ZINC000006957983 570753943 /nfs/dbraw/zinc/75/39/43/570753943.db2.gz KJOHNPSPUFWOAB-VCHYOVAHSA-N 0 0 383.083 5.361 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#Cc1ccccc1 ZINC000013406904 570754003 /nfs/dbraw/zinc/75/40/03/570754003.db2.gz LZYLYVQWNIUJNH-VZDIHLCHSA-N 0 0 392.583 5.173 40 30 GKEBRN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)Sc1ccccc1N2 ZINC000007449867 570759087 /nfs/dbraw/zinc/75/90/87/570759087.db2.gz PDQCRFGWDAUEAT-IBGZPJMESA-N 0 0 376.308 6.259 40 30 GKEBRN CC[C@H](C)c1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000007449705 570759098 /nfs/dbraw/zinc/75/90/98/570759098.db2.gz QTYJQCGTHBREMA-FYSMJZIKSA-N 0 0 391.580 7.102 40 30 GKEBRN Cc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2nc3ccccc3n21 ZINC000007495968 570759707 /nfs/dbraw/zinc/75/97/07/570759707.db2.gz YSCAAUYCTFNRIO-UPCLLVRISA-N 0 0 395.462 5.353 40 30 GKEBRN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(c1nc3ccccc3s1)N2 ZINC000008558959 570770958 /nfs/dbraw/zinc/77/09/58/570770958.db2.gz SUGFMWDLFOYBCN-LJQANCHMSA-N 0 0 381.888 5.023 40 30 GKEBRN COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)c1 ZINC000225884083 570789714 /nfs/dbraw/zinc/78/97/14/570789714.db2.gz XSBNQPZOKWRFJX-UHFFFAOYSA-N 0 0 388.254 5.098 40 30 GKEBRN CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000005912717 570803056 /nfs/dbraw/zinc/80/30/56/570803056.db2.gz SSIMOFOAFCFFJX-KRWDZBQOSA-N 0 0 380.557 6.146 40 30 GKEBRN Clc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000010118786 570806639 /nfs/dbraw/zinc/80/66/39/570806639.db2.gz MIWHLIJLVNAKNQ-FOKLQQMPSA-N 0 0 379.674 6.031 40 30 GKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 ZINC000010118815 570806647 /nfs/dbraw/zinc/80/66/47/570806647.db2.gz QKZHPNRRSQXMNH-SSDVNMTOSA-N 0 0 390.226 5.285 40 30 GKEBRN CCCCCCCCCCCCCCCCn1cnc2c1ncnc2Cl ZINC000104189480 570896883 /nfs/dbraw/zinc/89/68/83/570896883.db2.gz MNYXZLVVPSMJBC-UHFFFAOYSA-N 0 0 378.992 6.961 40 30 GKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)C2=O ZINC000118916220 570920933 /nfs/dbraw/zinc/92/09/33/570920933.db2.gz HKMPOVRTHIXEAQ-HGPOAJNESA-N 0 0 397.002 7.335 40 30 GKEBRN CCCCC1=NN(c2ccccc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1 ZINC000016638654 570929394 /nfs/dbraw/zinc/92/93/94/570929394.db2.gz KMZPRDXYSCIPEI-GYHWCHFESA-N 0 0 376.504 5.198 40 30 GKEBRN C#C[C@]1(O)CCC[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@]21C ZINC000045789187 570931674 /nfs/dbraw/zinc/93/16/74/570931674.db2.gz AQYISEKIHRLDLM-CAKRBILKSA-N 0 0 378.556 5.619 40 30 in-vitro GKEBRN C#C[C@]1(O)CCC[C@H]2[C@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C ZINC000045789190 570931767 /nfs/dbraw/zinc/93/17/67/570931767.db2.gz AQYISEKIHRLDLM-RXBPMRIASA-N 0 0 378.556 5.619 40 30 in-vitro GKEBRN CCCCCC[C@@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000016921004 570935140 /nfs/dbraw/zinc/93/51/40/570935140.db2.gz HRLITXPCTNOQNH-ZPDUGWTNSA-N 0 0 394.562 7.320 40 30 GKEBRN CCCCC[C@@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000016920994 570935205 /nfs/dbraw/zinc/93/52/05/570935205.db2.gz GMIJPKCLNGTASU-ORSBSLGDSA-N 0 0 380.535 6.929 40 30 GKEBRN Oc1ccccc1/C=N\N=C(/C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000016922735 570935342 /nfs/dbraw/zinc/93/53/42/570935342.db2.gz PQAZVBGWMZXENT-YTUFDKHASA-N 0 0 378.834 5.721 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000003238372 570955851 /nfs/dbraw/zinc/95/58/51/570955851.db2.gz ODXHDIHSIPZAIU-DHRITJCHSA-N 0 0 381.391 6.212 40 30 GKEBRN CCN1c2cc(C)c(/C=N/c3ccc(OC)c(Cl)c3)cc2[C@@H](C)CC1(C)C ZINC000198098653 570962937 /nfs/dbraw/zinc/96/29/37/570962937.db2.gz RWTUXPXDKSBVMC-MMDHUZEPSA-N 0 0 384.951 6.520 40 30 GKEBRN CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 ZINC000198147053 570963476 /nfs/dbraw/zinc/96/34/76/570963476.db2.gz QVXPIDLAOHTTRY-OVVQPSECSA-N 0 0 382.507 6.861 40 30 GKEBRN Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)C(C)=CC(C)(C)N2C ZINC000198149966 570963505 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XBVSUETVKKGUOM-YDZHTSKRSA-N 0 0 396.830 5.378 40 30 GKEBRN Cc1ccc(Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)cc1 ZINC000408595582 231073379 /nfs/dbraw/zinc/07/33/79/231073379.db2.gz XLAINEWCNXWFRO-JFLMPSFJSA-N 0 0 379.463 5.420 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC(C)C)S2)c(C)c1 ZINC000408605814 231077873 /nfs/dbraw/zinc/07/78/73/231077873.db2.gz YVPZKICHKORFCN-NDENLUEZSA-N 0 0 380.513 5.230 40 30 GKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OC(C)C)cc1OC(C)C ZINC000408692424 231095050 /nfs/dbraw/zinc/09/50/50/231095050.db2.gz MFCPMCSRRHYJOA-OEAKJJBVSA-N 0 0 380.492 5.077 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408692536 231095152 /nfs/dbraw/zinc/09/51/52/231095152.db2.gz OPPNUTQMBGEEHV-DHZHZOJOSA-N 0 0 384.306 6.605 40 30 GKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408692568 231095316 /nfs/dbraw/zinc/09/53/16/231095316.db2.gz PMKZXIXWNPPPIL-ZVHZXABRSA-N 0 0 391.906 5.563 40 30 GKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1 ZINC000408691752 231095399 /nfs/dbraw/zinc/09/53/99/231095399.db2.gz OUCKGAPGQQJICU-PKNBQFBNSA-N 0 0 381.269 6.222 40 30 GKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408692427 231095565 /nfs/dbraw/zinc/09/55/65/231095565.db2.gz MFYKYOWBPDQSSR-DHZHZOJOSA-N 0 0 384.306 6.605 40 30 GKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408692523 231095654 /nfs/dbraw/zinc/09/56/54/231095654.db2.gz OJZFHDFMCPRZKV-DHRITJCHSA-N 0 0 398.388 5.781 40 30 GKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722560 231105801 /nfs/dbraw/zinc/10/58/01/231105801.db2.gz KORNNPYPAXDPQE-MFKUBSTISA-N 0 0 388.923 7.190 40 30 GKEBRN Cc1sc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C ZINC000408628640 231088673 /nfs/dbraw/zinc/08/86/73/231088673.db2.gz VTYLQEPVQKUXTL-UHFFFAOYSA-N 0 0 399.928 5.170 40 30 GKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000408653367 231091176 /nfs/dbraw/zinc/09/11/76/231091176.db2.gz IVBNLEGQTHZEQZ-DTQAZKPQSA-N 0 0 381.475 5.903 40 30 GKEBRN 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/nfs/dbraw/zinc/10/93/77/231109377.db2.gz IWJFTTBXUQIZLM-QRVIBDJDSA-N 0 0 381.317 6.224 40 30 GKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738086 231109413 /nfs/dbraw/zinc/10/94/13/231109413.db2.gz NHWIIYOBPJWIDM-WSDLNYQXSA-N 0 0 387.708 6.261 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000408751596 231111943 /nfs/dbraw/zinc/11/19/43/231111943.db2.gz AGKHIXBIJSZLAR-UNOMPAQXSA-N 0 0 394.883 5.800 40 30 GKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cccs3)S2)cc(C)c1Br ZINC000408764849 231112463 /nfs/dbraw/zinc/11/24/63/231112463.db2.gz VUQQZOAEDJMQLI-JYRVWZFOSA-N 0 0 393.331 5.019 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1C1CCCC1 ZINC000408768010 231112810 /nfs/dbraw/zinc/11/28/10/231112810.db2.gz RWDYALAVYVDRPV-MOSHPQCFSA-N 0 0 379.529 5.420 40 30 GKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1C1CCCC1 ZINC000408781053 231113819 /nfs/dbraw/zinc/11/38/19/231113819.db2.gz QUIOKDQVMGFCHC-BKUYFWCQSA-N 0 0 393.556 5.728 40 30 GKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(F)cc1 ZINC000408783205 231113951 /nfs/dbraw/zinc/11/39/51/231113951.db2.gz MCVARWMZEMTCDW-FMCGGJTJSA-N 0 0 385.280 6.055 40 30 GKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408785701 231114202 /nfs/dbraw/zinc/11/42/02/231114202.db2.gz AVWIJVHDMYPJJK-WPWMEQJKSA-N 0 0 383.470 6.727 40 30 GKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408785801 231114291 /nfs/dbraw/zinc/11/42/91/231114291.db2.gz ZMEYIJNUOQQEKU-JJFYIABZSA-N 0 0 388.254 6.060 40 30 GKEBRN O=C(COc1ccc(/C=N\c2ccccc2F)cc1)Nc1ccccc1Cl ZINC000408802516 231115498 /nfs/dbraw/zinc/11/54/98/231115498.db2.gz FSHLYCOVINUYMI-CFRMEGHHSA-N 0 0 382.822 5.247 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000408801398 231115704 /nfs/dbraw/zinc/11/57/04/231115704.db2.gz ANODQESZCQBDDL-WWAUWJAYSA-N 0 0 386.495 5.310 40 30 GKEBRN O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccccc1Cl ZINC000408809143 231116636 /nfs/dbraw/zinc/11/66/36/231116636.db2.gz KFWJJHNTILWHDY-CFRMEGHHSA-N 0 0 399.277 5.762 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408811792 231117203 /nfs/dbraw/zinc/11/72/03/231117203.db2.gz LYYKGHLGSYLIJU-OYKKKHCWSA-N 0 0 384.907 5.227 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N4CCCC4)cc3C)S2)c(C)c1 ZINC000408962522 231135785 /nfs/dbraw/zinc/13/57/85/231135785.db2.gz YWGQMZGJLVNVCS-STZFKDTASA-N 0 0 391.540 5.104 40 30 GKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(-c2cc3ccccc3o2)cc1 ZINC000408961644 231136214 /nfs/dbraw/zinc/13/62/14/231136214.db2.gz UIPWHRBIVHRESP-OVVQPSECSA-N 0 0 380.491 6.759 40 30 GKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408961312 231136480 /nfs/dbraw/zinc/13/64/80/231136480.db2.gz RJJVNCGPINDARX-UNOMPAQXSA-N 0 0 397.931 5.140 40 30 GKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl ZINC000408964248 231137143 /nfs/dbraw/zinc/13/71/43/231137143.db2.gz CLSAASXXBALULK-CVKSISIWSA-N 0 0 394.946 6.804 40 30 GKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1Cl ZINC000408965116 231137232 /nfs/dbraw/zinc/13/72/32/231137232.db2.gz GSTIWLNWBGJMSX-VULFUBBASA-N 0 0 389.886 6.055 40 30 GKEBRN Oc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1I ZINC000408966303 231137358 /nfs/dbraw/zinc/13/73/58/231137358.db2.gz ZKSKGGYETCZKAC-IDUWFGFVSA-N 0 0 392.023 5.054 40 30 GKEBRN Cc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)c1 ZINC000408967028 231138157 /nfs/dbraw/zinc/13/81/57/231138157.db2.gz RRDZNICWZZCCRZ-CXUHLZMHSA-N 0 0 391.323 5.810 40 30 GKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968565 231138449 /nfs/dbraw/zinc/13/84/49/231138449.db2.gz XIBOQDOFMDEICY-VEILYXNESA-N 0 0 386.583 7.440 40 30 GKEBRN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc21 ZINC000408973270 231139570 /nfs/dbraw/zinc/13/95/70/231139570.db2.gz AFFJNDSLOBKHOT-YDZHTSKRSA-N 0 0 386.411 5.007 40 30 GKEBRN Cc1cccc(COc2ccc(-c3c(C#N)c(N)ncc3-c3ccccc3)cc2)c1 ZINC000408979525 231141106 /nfs/dbraw/zinc/14/11/06/231141106.db2.gz MPOZAGNKASFHKF-UHFFFAOYSA-N 0 0 391.474 5.587 40 30 GKEBRN Cc1[nH]c2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408978660 231141148 /nfs/dbraw/zinc/14/11/48/231141148.db2.gz NKPVAHODAYHAII-CVKSISIWSA-N 0 0 399.563 7.398 40 30 GKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2cccc(F)c2)cc1 ZINC000408980506 231141518 /nfs/dbraw/zinc/14/15/18/231141518.db2.gz ROCBOWFOCLRDFR-UHFFFAOYSA-N 0 0 395.437 5.418 40 30 GKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1cccc2ccccc21 ZINC000408997111 231144048 /nfs/dbraw/zinc/14/40/48/231144048.db2.gz REPYHSMHUACPJA-WPWMEQJKSA-N 0 0 390.490 6.242 40 30 GKEBRN CSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409017367 231146517 /nfs/dbraw/zinc/14/65/17/231146517.db2.gz NOYNXRMAJHBYOY-UDWIEESQSA-N 0 0 375.971 7.025 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000409015555 231146902 /nfs/dbraw/zinc/14/69/02/231146902.db2.gz OCWGLADUVXEBAT-JAIQZWGSSA-N 0 0 388.901 6.520 40 30 GKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)s2)nc1 ZINC000409018328 231147443 /nfs/dbraw/zinc/14/74/43/231147443.db2.gz KXYKNMYNFXTJNU-VXLYETTFSA-N 0 0 390.877 5.302 40 30 GKEBRN N#Cc1ccc(-c2ccc(/C=N/c3ccc(Br)c(Cl)c3)o2)cc1 ZINC000409024081 231148724 /nfs/dbraw/zinc/14/87/24/231148724.db2.gz UJKOCUCVDRWSAX-SSDVNMTOSA-N 0 0 385.648 5.985 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1C ZINC000409023221 231148890 /nfs/dbraw/zinc/14/88/90/231148890.db2.gz YOMMBMBGAAZTAF-MTJSOVHGSA-N 0 0 399.475 5.327 40 30 GKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)c(C)c1 ZINC000409023854 231148946 /nfs/dbraw/zinc/14/89/46/231148946.db2.gz KLPWUIHWZUDCEK-MTJSOVHGSA-N 0 0 399.475 5.327 40 30 GKEBRN O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409047799 231151412 /nfs/dbraw/zinc/15/14/12/231151412.db2.gz PMXZRYYIRSZZEQ-CNHKJKLMSA-N 0 0 375.049 5.143 40 30 GKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O ZINC000408914729 231130078 /nfs/dbraw/zinc/13/00/78/231130078.db2.gz XHYALRJKVIHOHW-XGHAMVSDSA-N 0 0 380.513 5.326 40 30 GKEBRN Cc1ccc(Sc2oc(/C=N\c3cccc(C)c3)cc2Br)cc1 ZINC000408913497 231130703 /nfs/dbraw/zinc/13/07/03/231130703.db2.gz LKJSKQHSQNFTFM-MTJSOVHGSA-N 0 0 386.314 6.561 40 30 GKEBRN O=C1/C(=C/c2ccc(F)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917563 231131385 /nfs/dbraw/zinc/13/13/85/231131385.db2.gz XFEOOICLNKWGQI-QFGKFHJGSA-N 0 0 378.428 5.223 40 30 GKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408931540 231133187 /nfs/dbraw/zinc/13/31/87/231133187.db2.gz MZBSIPAOBLUSFU-KSEXSDGBSA-N 0 0 396.821 6.549 40 30 GKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000408931326 231133342 /nfs/dbraw/zinc/13/33/42/231133342.db2.gz KBDJMYCDTOXKQJ-VROXFSQNSA-N 0 0 399.199 6.718 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408950256 231133566 /nfs/dbraw/zinc/13/35/66/231133566.db2.gz MFAUKXANLQPCOH-IKCQXBCASA-N 0 0 394.518 6.581 40 30 GKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408939252 231133700 /nfs/dbraw/zinc/13/37/00/231133700.db2.gz MDLUVSUEKKPUQK-BQMYVMFFSA-N 0 0 396.490 5.978 40 30 GKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408939422 231133926 /nfs/dbraw/zinc/13/39/26/231133926.db2.gz MLZDFEZCSWUXSD-FIZBLTRDSA-N 0 0 380.491 6.272 40 30 GKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408939255 231133982 /nfs/dbraw/zinc/13/39/82/231133982.db2.gz MDLUVSUEKKPUQK-LDVLOHNYSA-N 0 0 396.490 5.978 40 30 GKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408939260 231134072 /nfs/dbraw/zinc/13/40/72/231134072.db2.gz MDLUVSUEKKPUQK-ORHZYQNESA-N 0 0 396.490 5.978 40 30 GKEBRN COc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408950264 231134265 /nfs/dbraw/zinc/13/42/65/231134265.db2.gz MFAUKXANLQPCOH-SOMKHJCMSA-N 0 0 394.518 6.581 40 30 GKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409114025 231164288 /nfs/dbraw/zinc/16/42/88/231164288.db2.gz IBPKMUPHULLXSP-YZSQISJMSA-N 0 0 390.458 5.977 40 30 GKEBRN Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Cl)c2)n1 ZINC000409116444 231165358 /nfs/dbraw/zinc/16/53/58/231165358.db2.gz VAUVSSKODAUSLN-NHDPSOOVSA-N 0 0 398.875 5.557 40 30 GKEBRN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Cl)c2)cc1 ZINC000409120353 231166012 /nfs/dbraw/zinc/16/60/12/231166012.db2.gz VNLWULHUTJPCMF-XKZIYDEJSA-N 0 0 382.872 6.458 40 30 GKEBRN Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Br ZINC000409129582 231168405 /nfs/dbraw/zinc/16/84/05/231168405.db2.gz GTNRFGDTZNOGFT-UHFFFAOYSA-N 0 0 393.236 5.480 40 30 GKEBRN COc1ccc2ccc(OC)c(/C=N/c3sc4c(c3C#N)CCCC4)c2c1 ZINC000409064458 231152943 /nfs/dbraw/zinc/15/29/43/231152943.db2.gz POCAFUHOWGIEIE-ZMOGYAJESA-N 0 0 376.481 5.420 40 30 GKEBRN Fc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc1N1CCCC1 ZINC000409064029 231153163 /nfs/dbraw/zinc/15/31/63/231153163.db2.gz FVHADYJSQZUYHM-WGOQTCKBSA-N 0 0 394.877 6.622 40 30 GKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(C)c1C ZINC000409063092 231153311 /nfs/dbraw/zinc/15/33/11/231153311.db2.gz GTVXIWGLRMWDNJ-WGARJPEWSA-N 0 0 387.552 6.274 40 30 GKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1Cl ZINC000409063050 231153410 /nfs/dbraw/zinc/15/34/10/231153410.db2.gz GDODKFPHEJSKAQ-MXAYSNPKSA-N 0 0 393.943 6.310 40 30 GKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)cc1Cl ZINC000409059176 231153451 /nfs/dbraw/zinc/15/34/51/231153451.db2.gz UVBAESXHLHWOBG-XLNRJJMWSA-N 0 0 390.291 5.859 40 30 GKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] ZINC000409075565 231154994 /nfs/dbraw/zinc/15/49/94/231154994.db2.gz RVFBGAJVZKKHIM-XKZIYDEJSA-N 0 0 382.872 6.458 40 30 GKEBRN CCn1c(C)cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000409083301 231156080 /nfs/dbraw/zinc/15/60/80/231156080.db2.gz ACVHLXJYDICVTK-HYARGMPZSA-N 0 0 379.485 5.935 40 30 GKEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409083573 231156388 /nfs/dbraw/zinc/15/63/88/231156388.db2.gz SXMFPQNDQMXRAB-AFUMVMLFSA-N 0 0 390.483 5.827 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409085273 231157254 /nfs/dbraw/zinc/15/72/54/231157254.db2.gz RWQHMPVTAGMRAU-VULFUBBASA-N 0 0 379.931 6.572 40 30 GKEBRN Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000409087993 231157498 /nfs/dbraw/zinc/15/74/98/231157498.db2.gz DJCQFTAMIMQSAQ-HQXWYHRWSA-N 0 0 381.501 5.738 40 30 GKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409092620 231157811 /nfs/dbraw/zinc/15/78/11/231157811.db2.gz XKAVMWHRUGOBLJ-OYKKKHCWSA-N 0 0 391.471 5.214 40 30 GKEBRN Fc1ccccc1COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409095853 231159069 /nfs/dbraw/zinc/15/90/69/231159069.db2.gz DOJZDCACHMUZNZ-KBKYJPHKSA-N 0 0 389.352 5.265 40 30 GKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc1Cl ZINC000409097717 231160448 /nfs/dbraw/zinc/16/04/48/231160448.db2.gz NJTRVPSUBRBBOQ-WSDLNYQXSA-N 0 0 387.222 6.445 40 30 GKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)nc1 ZINC000409107583 231162528 /nfs/dbraw/zinc/16/25/28/231162528.db2.gz RZRKQLWKPROUSS-NSKAYECMSA-N 0 0 399.294 5.825 40 30 GKEBRN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl ZINC000409111336 231163242 /nfs/dbraw/zinc/16/32/42/231163242.db2.gz IDJQJQGWLITRNU-ODLFYWEKSA-N 0 0 386.838 5.283 40 30 GKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)c(C)c3)c2)cc1C ZINC000409376961 231197268 /nfs/dbraw/zinc/19/72/68/231197268.db2.gz CVFOIYGVXFPRNK-VULFUBBASA-N 0 0 390.458 5.519 40 30 GKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1NC(=O)c1ccccc1 ZINC000409199816 231178443 /nfs/dbraw/zinc/17/84/43/231178443.db2.gz DZTPSKCKQMDYSU-FMCGGJTJSA-N 0 0 386.282 5.546 40 30 GKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409199445 231178546 /nfs/dbraw/zinc/17/85/46/231178546.db2.gz CSUSPSCYQVOKSJ-LQKURTRISA-N 0 0 399.921 7.440 40 30 GKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)c1 ZINC000409203228 231179185 /nfs/dbraw/zinc/17/91/85/231179185.db2.gz WRNVEBIYQRPCBK-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(C)c(C)c3)c2)cc1 ZINC000409203956 231179432 /nfs/dbraw/zinc/17/94/32/231179432.db2.gz ZYKQXTUVKLARCJ-HAHDFKILSA-N 0 0 379.481 5.130 40 30 GKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Br ZINC000409203482 231179496 /nfs/dbraw/zinc/17/94/96/231179496.db2.gz WOCJJOMUOAESFZ-YDZHTSKRSA-N 0 0 384.248 5.918 40 30 GKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)cc2)cc1 ZINC000409208211 231180113 /nfs/dbraw/zinc/18/01/13/231180113.db2.gz AJWQGGJSXXCXPJ-ZVHZXABRSA-N 0 0 394.312 6.396 40 30 GKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=N/c2ccccc2)cc1Cl ZINC000409208776 231180407 /nfs/dbraw/zinc/18/04/07/231180407.db2.gz BZGVJENOBUPNSQ-ZVHZXABRSA-N 0 0 378.859 5.417 40 30 GKEBRN Clc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 ZINC000409210883 231180934 /nfs/dbraw/zinc/18/09/34/231180934.db2.gz HJTSBINAXZBJNG-WYMPLXKRSA-N 0 0 390.697 6.976 40 30 GKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 ZINC000409212144 231180955 /nfs/dbraw/zinc/18/09/55/231180955.db2.gz PMZDXFDWJWVWPA-HYARGMPZSA-N 0 0 385.872 5.167 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000409212604 231180964 /nfs/dbraw/zinc/18/09/64/231180964.db2.gz RHPMSJHQGZNTIN-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1Cl ZINC000409213325 231181040 /nfs/dbraw/zinc/18/10/40/231181040.db2.gz SIQHKOWJAJHLQF-OYKKKHCWSA-N 0 0 378.859 5.417 40 30 GKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000409211523 231181143 /nfs/dbraw/zinc/18/11/43/231181143.db2.gz NZVRTCJXXAWEPY-BRJLIKDPSA-N 0 0 388.269 6.771 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1C ZINC000409211423 231181440 /nfs/dbraw/zinc/18/14/40/231181440.db2.gz NPHFCJDQMNQGGG-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000409213113 231181515 /nfs/dbraw/zinc/18/15/15/231181515.db2.gz SJDHFSVHRILMPH-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc32)cc1C ZINC000409212462 231181652 /nfs/dbraw/zinc/18/16/52/231181652.db2.gz MLNWQHWJYVFAMM-LQKURTRISA-N 0 0 383.466 6.925 40 30 GKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 ZINC000409211522 231181695 /nfs/dbraw/zinc/18/16/95/231181695.db2.gz JQBUMOQJYNQCOP-DHRITJCHSA-N 0 0 384.306 6.940 40 30 GKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1C ZINC000409216088 231182036 /nfs/dbraw/zinc/18/20/36/231182036.db2.gz HWZVDEJJGAKNQB-AFUMVMLFSA-N 0 0 392.886 5.725 40 30 GKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 ZINC000409216296 231182048 /nfs/dbraw/zinc/18/20/48/231182048.db2.gz JXWRDFHAVCIKEW-MXAYSNPKSA-N 0 0 384.306 6.940 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409214350 231182273 /nfs/dbraw/zinc/18/22/73/231182273.db2.gz XCEYQDSOAGPUSY-ZVHZXABRSA-N 0 0 390.439 5.550 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409214007 231182291 /nfs/dbraw/zinc/18/22/91/231182291.db2.gz WNCVAIIDKDSPOT-MFKUBSTISA-N 0 0 388.467 5.080 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 ZINC000409216206 231182377 /nfs/dbraw/zinc/18/23/77/231182377.db2.gz ISAMSJCHSISDJI-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 ZINC000409214177 231182501 /nfs/dbraw/zinc/18/25/01/231182501.db2.gz WDKGCMDAEWQKMS-AFUMVMLFSA-N 0 0 379.887 6.295 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 ZINC000409239916 231185240 /nfs/dbraw/zinc/18/52/40/231185240.db2.gz OJOOZZXFJRCSHY-JAIQZWGSSA-N 0 0 385.217 5.676 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3cc(Cl)ccc3C)o2)c(Br)c1 ZINC000409235339 231185377 /nfs/dbraw/zinc/18/53/77/231185377.db2.gz OUSISJCZEZVSFL-SSDVNMTOSA-N 0 0 388.692 6.730 40 30 GKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)c(Cl)c4)ccc32)c1 ZINC000409243218 231186230 /nfs/dbraw/zinc/18/62/30/231186230.db2.gz QPMNRUDFCZJMAY-LGJNPRDNSA-N 0 0 397.280 6.886 40 30 GKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3F)o2)c(Br)c1 ZINC000409248191 231187272 /nfs/dbraw/zinc/18/72/72/231187272.db2.gz GQWAMUBZHRWXBA-LSHDLFTRSA-N 0 0 376.200 6.046 40 30 GKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000409283081 231188300 /nfs/dbraw/zinc/18/83/00/231188300.db2.gz QJVBIKUUWAFYIM-UHFFFAOYSA-N 0 0 399.416 5.345 40 30 GKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=C/C=C/c1ccccc1 ZINC000409287477 231188650 /nfs/dbraw/zinc/18/86/50/231188650.db2.gz VSQKUYQQFKVLGO-OZTHODQGSA-N 0 0 391.430 5.357 40 30 GKEBRN O=C(C1=C(O)C(=Cc2cccc(Br)c2)CCCC1)C(F)(F)F ZINC000409357112 231194868 /nfs/dbraw/zinc/19/48/68/231194868.db2.gz IYKSCDVGKZPXAS-FYIWHTENSA-N 0 0 375.184 5.350 40 30 GKEBRN Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1[N+](=O)[O-] ZINC000409381162 231198729 /nfs/dbraw/zinc/19/87/29/231198729.db2.gz DIXRLZHOEANMDA-FSJBWODESA-N 0 0 387.351 5.639 40 30 GKEBRN Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409392004 231200437 /nfs/dbraw/zinc/20/04/37/231200437.db2.gz MRMRTCSUJQIFJZ-UHFFFAOYSA-N 0 0 395.433 5.600 40 30 GKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408965385 529429993 /nfs/dbraw/zinc/42/99/93/529429993.db2.gz GTFFVTHMWAQBFR-AZFHEMCLSA-N 0 0 386.583 7.656 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C ZINC000408965054 529558681 /nfs/dbraw/zinc/55/86/81/529558681.db2.gz FVEHPEZGALECIK-ZVHZXABRSA-N 0 0 395.344 6.478 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)cc2)c1C ZINC000408966657 529558899 /nfs/dbraw/zinc/55/88/99/529558899.db2.gz MVWGORSRFOOPCL-OEAKJJBVSA-N 0 0 381.317 6.170 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2Cl)c1C ZINC000408965056 529559013 /nfs/dbraw/zinc/55/90/13/529559013.db2.gz FVIVIERVMUZUOV-AFUMVMLFSA-N 0 0 394.902 5.847 40 30 GKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)c1C ZINC000408965403 529559027 /nfs/dbraw/zinc/55/90/27/529559027.db2.gz GXIWESCNMYXCRS-AFUMVMLFSA-N 0 0 394.902 5.847 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1CC ZINC000408912835 529563835 /nfs/dbraw/zinc/56/38/35/529563835.db2.gz LYNIYKYARUBRLP-NVZLDUMVSA-N 0 0 394.540 5.660 40 30 GKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1CC ZINC000408909167 529563912 /nfs/dbraw/zinc/56/39/12/529563912.db2.gz GJYCKWTZEIIRDT-DXWKDWEQSA-N 0 0 392.568 6.170 40 30 GKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409209719 529589986 /nfs/dbraw/zinc/58/99/86/529589986.db2.gz IADVHOHBFUANOQ-IWIPYMOSSA-N 0 0 394.312 6.341 40 30 GKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 ZINC000408753651 529579979 /nfs/dbraw/zinc/57/99/79/529579979.db2.gz KCJSXKWEKSHHCN-TURZUDJPSA-N 0 0 378.519 7.074 40 30 GKEBRN CCc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000408917330 529584572 /nfs/dbraw/zinc/58/45/72/529584572.db2.gz RFWPHEVXYSHSEE-YACCPEJUSA-N 0 0 388.492 5.646 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408909149 529695551 /nfs/dbraw/zinc/69/55/51/529695551.db2.gz GEMFRVWWELOVKS-HWEIEWAYSA-N 0 0 380.513 5.406 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408916236 529695633 /nfs/dbraw/zinc/69/56/33/529695633.db2.gz WJQJVLVYADIWJN-OTFYDCBPSA-N 0 0 395.484 5.306 40 30 GKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408914616 529695715 /nfs/dbraw/zinc/69/57/15/529695715.db2.gz OLKMJSKCLIUWKJ-CXPRPJQYSA-N 0 0 384.932 6.051 40 30 GKEBRN CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccco3)c2C#N)cc1 ZINC000408975489 529775074 /nfs/dbraw/zinc/77/50/74/529775074.db2.gz MFXLSZOFKHOMRM-WGOQTCKBSA-N 0 0 381.435 5.895 40 30 GKEBRN COc1ccc(/N=C(\C(=S)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000016215778 210186492 /nfs/dbraw/zinc/18/64/92/210186492.db2.gz FGGYAIGSLSNAFH-GYHWCHFESA-N 0 0 391.492 5.251 40 30 GKEBRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1cccc(C(F)(F)F)c1 ZINC000016161323 210184961 /nfs/dbraw/zinc/18/49/61/210184961.db2.gz DVINVMUKSXCJLI-ZXVVBBHZSA-N 0 0 398.428 5.931 40 30 GKEBRN COc1ccc(-c2n[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c2Cl)cc1 ZINC000016159128 210184983 /nfs/dbraw/zinc/18/49/83/210184983.db2.gz HYINKJGWZOYFDE-UHFFFAOYSA-N 0 0 376.659 5.028 40 30 GKEBRN CCN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(CC)C1=O ZINC000033934504 120299808 /nfs/dbraw/zinc/29/98/08/120299808.db2.gz FICNJFNOHGKQBK-KAXIZBKFSA-N 0 0 381.526 5.071 40 30 GKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(C)cc1 ZINC000100499531 120351273 /nfs/dbraw/zinc/35/12/73/120351273.db2.gz OBCSPMWFWILIQO-YALZWYRPSA-N 0 0 395.553 5.379 40 30 GKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(F)cc1 ZINC000408962289 530039714 /nfs/dbraw/zinc/03/97/14/530039714.db2.gz YCIPOEBUINYZKA-OIBHPTRJSA-N 0 0 395.503 5.050 40 30 GKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C#N)c1 ZINC000225756214 222695603 /nfs/dbraw/zinc/69/56/03/222695603.db2.gz XOQIICKHFMOQIS-GOSISDBHSA-N 0 0 376.500 5.576 40 30 GKEBRN