smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1 ZINC000000001283 567816548 /nfs/dbraw/zinc/81/65/48/567816548.db2.gz NFDFQCUYFHCNBW-SCGPFSFSSA-N 0 0 266.340 4.605 50 0 world CJAARN CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000001290 567816441 /nfs/dbraw/zinc/81/64/41/567816441.db2.gz RGLYKWWBQGJZGM-ISLYRVAYSA-N 0 0 268.356 4.829 50 0 world CJAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000012485 566902977 /nfs/dbraw/zinc/90/29/77/566902977.db2.gz PFKHLXGGIWJUPL-UHFFFAOYSA-N 0 0 287.790 4.890 50 0 CJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000012486 570341005 /nfs/dbraw/zinc/34/10/05/570341005.db2.gz AUBMBUUVZCJOEJ-UHFFFAOYSA-N 0 0 287.790 4.890 50 0 CJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000012487 570340974 /nfs/dbraw/zinc/34/09/74/570340974.db2.gz ALSXZIRSQXGVLV-UHFFFAOYSA-N 0 0 287.790 4.890 50 0 aggregator CJAARN Clc1ccc(-c2cn3c4ccccc4sc3n2)cc1 ZINC000000023692 567901082 /nfs/dbraw/zinc/90/10/82/567901082.db2.gz POOOQPHNOURAEX-UHFFFAOYSA-N 0 0 284.771 4.869 50 0 CJAARN Clc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000000023697 567901195 /nfs/dbraw/zinc/90/11/95/567901195.db2.gz OYHWMTSOUDBGCE-UHFFFAOYSA-N 0 0 288.803 4.595 50 0 CJAARN Fc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000025864 567816543 /nfs/dbraw/zinc/81/65/43/567816543.db2.gz ZRUFADCCSVYTQW-UHFFFAOYSA-N 0 0 288.322 4.832 50 0 CJAARN Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 ZINC000000026243 567816549 /nfs/dbraw/zinc/81/65/49/567816549.db2.gz DTSNLMOLTVGCGZ-UHFFFAOYSA-N 0 0 292.816 4.683 50 0 CJAARN Cc1ccccc1N[C@H]1C[C@@H](C)Nc2c(C)cccc21 ZINC000000027701 567816463 /nfs/dbraw/zinc/81/64/63/567816463.db2.gz PYQLHHXQFQICHB-PBHICJAKSA-N 0 0 266.388 4.661 50 0 CJAARN Cc1ccccc1N[C@@H]1C[C@@H](C)Nc2c(C)cccc21 ZINC000000027702 567816479 /nfs/dbraw/zinc/81/64/79/567816479.db2.gz PYQLHHXQFQICHB-RHSMWYFYSA-N 0 0 266.388 4.661 50 0 CJAARN Cc1ccccc1N[C@H]1C[C@H](C)Nc2c(C)cccc21 ZINC000000027703 169508051 /nfs/dbraw/zinc/50/80/51/169508051.db2.gz PYQLHHXQFQICHB-YOEHRIQHSA-N 0 0 266.388 4.661 50 0 CJAARN Cc1ccccc1N[C@@H]1C[C@H](C)Nc2c(C)cccc21 ZINC000000027704 169508300 /nfs/dbraw/zinc/50/83/00/169508300.db2.gz PYQLHHXQFQICHB-WMLDXEAASA-N 0 0 266.388 4.661 50 0 CJAARN O=C(Nc1ccccc1Cl)Nc1cccc2cccnc21 ZINC000000028973 169508787 /nfs/dbraw/zinc/50/87/87/169508787.db2.gz DAGLKMLVHYYMAQ-UHFFFAOYSA-N 0 0 297.745 4.532 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000029357 567816596 /nfs/dbraw/zinc/81/65/96/567816596.db2.gz SODHRHDNLVKYGS-LLVKDONJSA-N 0 0 259.374 4.514 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000029358 169508793 /nfs/dbraw/zinc/50/87/93/169508793.db2.gz SODHRHDNLVKYGS-NSHDSACASA-N 0 0 259.374 4.514 50 0 CJAARN CCC1(CC)O[C@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000000032844 567904465 /nfs/dbraw/zinc/90/44/65/567904465.db2.gz FKYHVCYDAPANCA-QGZVFWFLSA-N 0 0 285.362 4.982 50 0 CJAARN CCC1(CC)O[C@@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000000032845 567901624 /nfs/dbraw/zinc/90/16/24/567901624.db2.gz FKYHVCYDAPANCA-KRWDZBQOSA-N 0 0 285.362 4.982 50 0 CJAARN CC1(c2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC000000033515 567904583 /nfs/dbraw/zinc/90/45/83/567904583.db2.gz LQYVPFSFTQMBPP-UHFFFAOYSA-N 0 0 285.774 4.644 50 0 CJAARN CC(=O)c1c(C)n(CCC2=CCCCC2)c2ccc(O)cc21 ZINC000000033638 567816688 /nfs/dbraw/zinc/81/66/88/567816688.db2.gz ZYXBKVFMXHPUBJ-UHFFFAOYSA-N 0 0 297.398 4.748 50 0 CJAARN CC(=O)c1c(C)nc2ccccc2c1-c1ccc(C)cc1 ZINC000000033953 169511142 /nfs/dbraw/zinc/51/11/42/169511142.db2.gz QMWDGBQPIDKUCE-UHFFFAOYSA-N 0 0 275.351 4.721 50 0 CJAARN Cc1sc2ncnc(Nc3ccc(Cl)cc3)c2c1C ZINC000000034745 169511629 /nfs/dbraw/zinc/51/16/29/169511629.db2.gz BOWOTRGBDJSCSE-UHFFFAOYSA-N 0 0 289.791 4.705 50 0 CJAARN CCc1ccc(Nc2cc(C)c3ccccc3n2)cc1 ZINC000000034772 567904528 /nfs/dbraw/zinc/90/45/28/567904528.db2.gz BKQOOFNCLBQRBE-UHFFFAOYSA-N 0 0 262.356 4.849 50 0 CJAARN CCSc1nc2ccccc2n1Cc1ccccc1C ZINC000000034982 567816668 /nfs/dbraw/zinc/81/66/68/567816668.db2.gz WJJWSLQDIRXZEK-UHFFFAOYSA-N 0 0 282.412 4.505 50 0 CJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(C)C ZINC000000035346 567816724 /nfs/dbraw/zinc/81/67/24/567816724.db2.gz UUQHIHVHHLONNR-SFHVURJKSA-N 0 0 297.398 4.606 50 0 CJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(C)C ZINC000000035347 567816802 /nfs/dbraw/zinc/81/68/02/567816802.db2.gz UUQHIHVHHLONNR-GOSISDBHSA-N 0 0 297.398 4.606 50 0 CJAARN Cc1cc(C)cc(C[C@@H](C)Cc2nc3ccccc3[nH]2)c1 ZINC000000035491 567904418 /nfs/dbraw/zinc/90/44/18/567904418.db2.gz JOLKNSONKNVZLN-OAHLLOKOSA-N 0 0 278.399 4.601 50 0 CJAARN Cc1cc(C)cc(C[C@H](C)Cc2nc3ccccc3[nH]2)c1 ZINC000000035492 567904535 /nfs/dbraw/zinc/90/45/35/567904535.db2.gz JOLKNSONKNVZLN-HNNXBMFYSA-N 0 0 278.399 4.601 50 0 CJAARN COc1ccc(-c2ccc(-c3ccccc3)o2)cc1 ZINC000000035953 169512056 /nfs/dbraw/zinc/51/20/56/169512056.db2.gz XRUWQNIJUFHROE-UHFFFAOYSA-N 0 0 250.297 4.622 50 0 CJAARN Cc1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000036099 169512064 /nfs/dbraw/zinc/51/20/64/169512064.db2.gz OUNODDYGLXFOHC-UHFFFAOYSA-N 0 0 271.410 4.897 50 0 CJAARN c1ccc(C(Sc2ccccn2)c2ccccc2)cc1 ZINC000000036117 567816786 /nfs/dbraw/zinc/81/67/86/567816786.db2.gz ZQNNDTWCTDNEOH-UHFFFAOYSA-N 0 0 277.392 4.963 50 0 CJAARN Cc1nnc(SC(c2ccccc2)c2ccccc2)s1 ZINC000000036121 169512058 /nfs/dbraw/zinc/51/20/58/169512058.db2.gz QEGYBIWMEKCIGM-UHFFFAOYSA-N 0 0 298.436 4.728 50 0 CJAARN Cn1c2ccccc2nc1SCc1ccccc1Cl ZINC000000036133 567816784 /nfs/dbraw/zinc/81/67/84/567816784.db2.gz NVYGKARQHVSBCW-UHFFFAOYSA-N 0 0 288.803 4.519 50 0 CJAARN Clc1ccccc1CSc1nc2ccccc2[nH]1 ZINC000000036135 567816743 /nfs/dbraw/zinc/81/67/43/567816743.db2.gz ZNOFJEVAANDKBD-UHFFFAOYSA-N 0 0 274.776 4.509 50 0 CJAARN Clc1ccccc1CSc1nc2ccccc2o1 ZINC000000036138 169512103 /nfs/dbraw/zinc/51/21/03/169512103.db2.gz GMSZPEPWRJPGTJ-UHFFFAOYSA-N 0 0 275.760 4.774 50 0 CJAARN Fc1cccc(F)c1CSc1nc2ccccc2s1 ZINC000000036295 169512076 /nfs/dbraw/zinc/51/20/76/169512076.db2.gz FROSTGGTZCMPRF-UHFFFAOYSA-N 0 0 293.363 4.867 50 0 CJAARN O=C(Nc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000000036403 567816631 /nfs/dbraw/zinc/81/66/31/567816631.db2.gz DFDOVSPUQBTDBB-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN O=C(Nc1ccccc1)c1sc2ccccc2c1Cl ZINC000000037693 169513037 /nfs/dbraw/zinc/51/30/37/169513037.db2.gz DIHCMBKHZVCJBL-UHFFFAOYSA-N 0 0 287.771 4.807 50 0 CJAARN CC(C)(C)c1ccc(C(=O)Oc2ccccc2Cl)cc1 ZINC000000038627 567816702 /nfs/dbraw/zinc/81/67/02/567816702.db2.gz NWFWQFDXWMRONX-UHFFFAOYSA-N 0 0 288.774 4.857 50 0 CJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1F ZINC000000038903 567816938 /nfs/dbraw/zinc/81/69/38/567816938.db2.gz YDQVQNGPZBQEKE-UHFFFAOYSA-N 0 0 298.144 4.693 50 0 CJAARN Cc1occc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000000039030 567816907 /nfs/dbraw/zinc/81/69/07/567816907.db2.gz BRDMZAVGIOCLFP-UHFFFAOYSA-N 0 0 295.125 4.612 50 0 CJAARN CC(C)(C)OC(=O)Oc1cc(Cl)c(Cl)cc1Cl ZINC000000039432 567816866 /nfs/dbraw/zinc/81/68/66/567816866.db2.gz LJFPGBIHDPZHIN-UHFFFAOYSA-N 0 0 297.565 4.961 50 0 CJAARN Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000040871 169514399 /nfs/dbraw/zinc/51/43/99/169514399.db2.gz VAHVPQYDPPVHKF-UHFFFAOYSA-N 0 0 250.128 4.638 50 0 CJAARN c1ccc2sc(-c3nc4ccccc4s3)nc2c1 ZINC000000041120 169514433 /nfs/dbraw/zinc/51/44/33/169514433.db2.gz YJVXQQKAUCYQIP-UHFFFAOYSA-N 0 0 268.366 4.573 50 0 CJAARN Clc1ccccc1[C@H]1O[C@@H]1c1ccccc1Cl ZINC000000041143 567816934 /nfs/dbraw/zinc/81/69/34/567816934.db2.gz CYHHHQOGWYZTGK-ZIAGYGMSSA-N 0 0 265.139 4.806 50 0 CJAARN Clc1ccccc1[C@@H]1O[C@H]1c1ccccc1Cl ZINC000000041144 567816922 /nfs/dbraw/zinc/81/69/22/567816922.db2.gz CYHHHQOGWYZTGK-KBPBESRZSA-N 0 0 265.139 4.806 50 0 CJAARN CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000000041146 567816838 /nfs/dbraw/zinc/81/68/38/567816838.db2.gz BDTJIVUVQRVLLJ-UHFFFAOYSA-N 0 0 281.138 4.988 50 0 CJAARN O=c1cc(-c2ccc(Cl)c(Cl)c2)oc2ccccc12 ZINC000000041613 567907040 /nfs/dbraw/zinc/90/70/40/567907040.db2.gz UMWWIJIGWAEETI-UHFFFAOYSA-N 0 0 291.133 4.767 50 0 CJAARN Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[C@H]1CO1 ZINC000000041703 169514628 /nfs/dbraw/zinc/51/46/28/169514628.db2.gz WQKPSQDZHVQBOF-NSHDSACASA-N 0 0 292.165 4.500 50 0 CJAARN Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[C@@H]1CO1 ZINC000000041704 169514743 /nfs/dbraw/zinc/51/47/43/169514743.db2.gz WQKPSQDZHVQBOF-LLVKDONJSA-N 0 0 292.165 4.500 50 0 CJAARN Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000041794 567817044 /nfs/dbraw/zinc/81/70/44/567817044.db2.gz JNXXWBKBKPGKMS-UHFFFAOYSA-N 0 0 294.181 4.863 50 0 CJAARN CCc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000041795 169514852 /nfs/dbraw/zinc/51/48/52/169514852.db2.gz PAUMNFGNDJGJGP-UHFFFAOYSA-N 0 0 294.181 4.808 50 0 CJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C ZINC000000041796 169514846 /nfs/dbraw/zinc/51/48/46/169514846.db2.gz VUXKCSFPYSJYQA-UHFFFAOYSA-N 0 0 294.181 4.863 50 0 CJAARN O=C(NC1CCCCC1)c1sc2ccccc2c1Cl ZINC000000041940 567816929 /nfs/dbraw/zinc/81/69/29/567816929.db2.gz WFVSRWULBFFFLV-UHFFFAOYSA-N 0 0 293.819 4.617 50 0 CJAARN Cc1cccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000041989 567817005 /nfs/dbraw/zinc/81/70/05/567817005.db2.gz OXTDYIIYNSKNNY-DGCLKSJQSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1cccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000041990 567816871 /nfs/dbraw/zinc/81/68/71/567816871.db2.gz OXTDYIIYNSKNNY-YPMHNXCESA-N 0 0 298.213 4.525 50 0 CJAARN Cc1cccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000041991 567816885 /nfs/dbraw/zinc/81/68/85/567816885.db2.gz OXTDYIIYNSKNNY-WCQYABFASA-N 0 0 298.213 4.525 50 0 CJAARN Cc1cccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000000041992 567816864 /nfs/dbraw/zinc/81/68/64/567816864.db2.gz OXTDYIIYNSKNNY-AAEUAGOBSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccccc1NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000041993 567817012 /nfs/dbraw/zinc/81/70/12/567817012.db2.gz XDAHFTHPRAJJAG-ZWNOBZJWSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000041994 567816854 /nfs/dbraw/zinc/81/68/54/567816854.db2.gz XDAHFTHPRAJJAG-MFKMUULPSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccccc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000041995 567816917 /nfs/dbraw/zinc/81/69/17/567816917.db2.gz XDAHFTHPRAJJAG-GXFFZTMASA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccccc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000041996 169515233 /nfs/dbraw/zinc/51/52/33/169515233.db2.gz XDAHFTHPRAJJAG-GWCFXTLKSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000041997 567905387 /nfs/dbraw/zinc/90/53/87/567905387.db2.gz CMYPZTCLCLASPK-DGCLKSJQSA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000041998 567905251 /nfs/dbraw/zinc/90/52/51/567905251.db2.gz CMYPZTCLCLASPK-YPMHNXCESA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000041999 567905270 /nfs/dbraw/zinc/90/52/70/567905270.db2.gz CMYPZTCLCLASPK-WCQYABFASA-N 0 0 298.213 4.525 50 0 CJAARN Cc1ccc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 ZINC000000042000 169515291 /nfs/dbraw/zinc/51/52/91/169515291.db2.gz CMYPZTCLCLASPK-AAEUAGOBSA-N 0 0 298.213 4.525 50 0 CJAARN C[C@@H](C1CC1)N(C(=O)Nc1ccccc1)C1CCCCC1 ZINC000000044569 567816895 /nfs/dbraw/zinc/81/68/95/567816895.db2.gz ILERZNURXUMXKU-AWEZNQCLSA-N 0 0 286.419 4.652 50 0 CJAARN C[C@H](C1CC1)N(C(=O)Nc1ccccc1)C1CCCCC1 ZINC000000044570 567817018 /nfs/dbraw/zinc/81/70/18/567817018.db2.gz ILERZNURXUMXKU-CQSZACIVSA-N 0 0 286.419 4.652 50 0 CJAARN O=C1O/C(=C/c2cccc3ccccc23)c2ccccc21 ZINC000000044587 567906030 /nfs/dbraw/zinc/90/60/30/567906030.db2.gz JRLHCXITJGWLCS-LDADJPATSA-N 0 0 272.303 4.508 50 0 CJAARN O=C1O/C(=C\c2cccc3ccccc23)c2ccccc21 ZINC000000044588 567816950 /nfs/dbraw/zinc/81/69/50/567816950.db2.gz JRLHCXITJGWLCS-PDGQHHTCSA-N 0 0 272.303 4.508 50 0 CJAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1 ZINC000000044746 169516052 /nfs/dbraw/zinc/51/60/52/169516052.db2.gz BCSPMKZEIWLDBW-AWNIVKPZSA-N 0 0 297.373 4.775 50 0 CJAARN CC(C)(C)C1CCC(=NOC(=O)/C=C/c2ccccc2)CC1 ZINC000000044873 570319139 /nfs/dbraw/zinc/31/91/39/570319139.db2.gz AIVFXKWOWLXXHX-WJNHLLBISA-N 0 0 299.414 4.835 50 0 CJAARN O=C(/C=C/c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000000045989 567816844 /nfs/dbraw/zinc/81/68/44/567816844.db2.gz BAHNSUQRSUBLJP-JLHYYAGUSA-N 0 0 291.325 4.631 50 0 CJAARN Cc1c(Cl)cccc1NC(=S)Nc1ccc(F)cc1 ZINC000000046171 169516444 /nfs/dbraw/zinc/51/64/44/169516444.db2.gz PUCIVFDQOOVFIW-UHFFFAOYSA-N 0 0 294.782 4.596 50 0 CJAARN Fc1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000000046241 567817027 /nfs/dbraw/zinc/81/70/27/567817027.db2.gz DMPBQMHJTUCMCK-UHFFFAOYSA-N 0 0 296.370 4.788 50 0 CJAARN O=C(CCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000046253 169516439 /nfs/dbraw/zinc/51/64/39/169516439.db2.gz NGBLCSQTWKZXQK-UHFFFAOYSA-N 0 0 294.181 4.565 50 0 CJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000000046284 567816933 /nfs/dbraw/zinc/81/69/33/567816933.db2.gz GIXMMHJWAHQSSW-UHFFFAOYSA-N 0 0 288.350 4.683 50 0 CJAARN CC(C)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000000047209 567816908 /nfs/dbraw/zinc/81/69/08/567816908.db2.gz RWXPPLIBRLNERK-UHFFFAOYSA-N 0 0 273.763 4.716 50 0 CJAARN Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)o1 ZINC000000047292 169516708 /nfs/dbraw/zinc/51/67/08/169516708.db2.gz NAKSJTSBMZTHME-UHFFFAOYSA-N 0 0 293.322 4.633 50 0 CJAARN CCc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000047654 566902829 /nfs/dbraw/zinc/90/28/29/566902829.db2.gz AJFFVUZAHHPWNZ-UHFFFAOYSA-N 0 0 281.399 4.799 50 0 CJAARN COc1cccc(Nc2nc(-c3ccc(C)cc3)cs2)c1 ZINC000000048947 567905746 /nfs/dbraw/zinc/90/57/46/567905746.db2.gz FNERANGJBUHRFP-UHFFFAOYSA-N 0 0 296.395 4.871 50 0 CJAARN Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000049129 567817063 /nfs/dbraw/zinc/81/70/63/567817063.db2.gz YNFHGUPPMLNDRH-UHFFFAOYSA-N 0 0 268.747 4.501 50 0 CJAARN c1ccc(-c2nc(-c3cccnc3)[nH]c2-c2ccccc2)cc1 ZINC000000049444 567817183 /nfs/dbraw/zinc/81/71/83/567817183.db2.gz PTRXHNZMFWUITP-UHFFFAOYSA-N 0 0 297.361 4.806 50 0 CJAARN Cc1cc(C(=O)Nc2ccccc2)c(-c2ccccc2)o1 ZINC000000049838 567817106 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LJLIQZVZDZUPNP-UHFFFAOYSA-N 0 0 286.787 4.576 50 0 CJAARN O=C(Nc1cccc(F)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000000246590 567822968 /nfs/dbraw/zinc/82/29/68/567822968.db2.gz MKUDVDNZANIVDJ-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN CC1=CC[C@@H]2C[C@H]1[C@@H](c1ccc(N(C)C)cc1)OC2(C)C ZINC000000246773 567822747 /nfs/dbraw/zinc/82/27/47/567822747.db2.gz IKRRUIHRPYXQEQ-KBAYOESNSA-N 0 0 285.431 4.575 50 0 CJAARN O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000246834 567822776 /nfs/dbraw/zinc/82/27/76/567822776.db2.gz XEQQGFZJDTZBFF-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN CC(C)(C)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000000248028 567925771 /nfs/dbraw/zinc/92/57/71/567925771.db2.gz ZGCDPSGQTSOKPN-UHFFFAOYSA-N 0 0 288.774 4.857 50 0 CJAARN Cc1cc(Nc2ccc(Cl)cc2)nc2ccccc12 ZINC000000248684 567883916 /nfs/dbraw/zinc/88/39/16/567883916.db2.gz WPDSJPVBLQVXMA-UHFFFAOYSA-N 0 0 268.747 4.940 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C ZINC000000249912 567823406 /nfs/dbraw/zinc/82/34/06/567823406.db2.gz XVOLVPJEOJFLPG-UHFFFAOYSA-N 0 0 274.751 4.601 50 0 CJAARN CCc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000249919 570341973 /nfs/dbraw/zinc/34/19/73/570341973.db2.gz HWCLUHCVVVXCOK-UHFFFAOYSA-N 0 0 274.751 4.546 50 0 CJAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1Cl ZINC000000249921 567823231 /nfs/dbraw/zinc/82/32/31/567823231.db2.gz DHCWGPFKKFJIKV-UHFFFAOYSA-N 0 0 281.142 4.637 50 0 CJAARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000000250026 570382539 /nfs/dbraw/zinc/38/25/39/570382539.db2.gz UHKIXOMKDZNTLI-OAHLLOKOSA-N 0 0 281.399 4.627 50 0 in-vivo CJAARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000000250028 567823160 /nfs/dbraw/zinc/82/31/60/567823160.db2.gz UHKIXOMKDZNTLI-HNNXBMFYSA-N 0 0 281.399 4.627 50 0 CJAARN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000250066 567823170 /nfs/dbraw/zinc/82/31/70/567823170.db2.gz LMPGTDNYDZMXID-UHFFFAOYSA-N 0 0 294.181 4.863 50 0 CJAARN CCc1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000250076 566907295 /nfs/dbraw/zinc/90/72/95/566907295.db2.gz OMFRFHIWKIZMCR-UHFFFAOYSA-N 0 0 294.181 4.808 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000000252961 169588159 /nfs/dbraw/zinc/58/81/59/169588159.db2.gz ROZDQSIXQCKVAK-CQSZACIVSA-N 0 0 267.372 4.761 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000000252962 169587865 /nfs/dbraw/zinc/58/78/65/169587865.db2.gz ROZDQSIXQCKVAK-AWEZNQCLSA-N 0 0 267.372 4.761 50 0 CJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1Cl ZINC000000252979 567823407 /nfs/dbraw/zinc/82/34/07/567823407.db2.gz OLOWJXFZJCUUNG-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN CCCN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000000253108 567925776 /nfs/dbraw/zinc/92/57/76/567925776.db2.gz JPLCZPFQLJNVLE-QGZVFWFLSA-N 0 0 297.423 4.667 50 0 CJAARN CCCN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000000253111 169587812 /nfs/dbraw/zinc/58/78/12/169587812.db2.gz JPLCZPFQLJNVLE-KRWDZBQOSA-N 0 0 297.423 4.667 50 0 CJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000000253654 567823393 /nfs/dbraw/zinc/82/33/93/567823393.db2.gz PIWLEAYNQIWUPT-UHFFFAOYSA-N 0 0 299.732 4.885 50 0 CJAARN Cc1ccc(C)c(CSc2ncnc3ccccc32)c1 ZINC000000254232 567925923 /nfs/dbraw/zinc/92/59/23/567925923.db2.gz GUKFLMAJIMEESW-UHFFFAOYSA-N 0 0 280.396 4.539 50 0 CJAARN CCN1C(=O)N(c2cccc3ccccc32)C(C)=CC1(C)C ZINC000000254484 535435836 /nfs/dbraw/zinc/43/58/36/535435836.db2.gz OVNZNOHKQQYMRF-UHFFFAOYSA-N 0 0 294.398 4.784 50 0 CJAARN Cc1ccc2[nH]c(SCc3ccccc3Cl)nc2c1 ZINC000000254538 567823383 /nfs/dbraw/zinc/82/33/83/567823383.db2.gz YOLFMMYVRKEHJW-UHFFFAOYSA-N 0 0 288.803 4.817 50 0 CJAARN Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000000255340 567935624 /nfs/dbraw/zinc/93/56/24/567935624.db2.gz LMZAAYBPANJHAY-UHFFFAOYSA-N 0 0 278.399 4.691 50 0 CJAARN CCOc1ccccc1Nc1cc(C)c2cccc(C)c2n1 ZINC000000256346 567823405 /nfs/dbraw/zinc/82/34/05/567823405.db2.gz HITYSGHUYSPNDL-UHFFFAOYSA-N 0 0 292.382 4.994 50 0 CJAARN O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccc1 ZINC000000256825 567925752 /nfs/dbraw/zinc/92/57/52/567925752.db2.gz KWFAMIIUXQOSQA-UHFFFAOYSA-N 0 0 297.301 4.551 50 0 CJAARN C=CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000259262 567943776 /nfs/dbraw/zinc/94/37/76/567943776.db2.gz ZNPJAMFOXGFCJC-UHFFFAOYSA-N 0 0 278.380 4.979 50 0 CJAARN O=C(Oc1ccc(C2CCCCC2)cc1)c1ccco1 ZINC000000259699 567823370 /nfs/dbraw/zinc/82/33/70/567823370.db2.gz WCKSMLZHIXRFSG-UHFFFAOYSA-N 0 0 270.328 4.547 50 0 CJAARN CC(=O)c1c(C)nc2ccc(C)cc2c1-c1ccccc1 ZINC000000259881 567925806 /nfs/dbraw/zinc/92/58/06/567925806.db2.gz WWMGIKVOVVVKRS-UHFFFAOYSA-N 0 0 275.351 4.721 50 0 CJAARN O=C(Nc1cccc2ccccc21)c1ccccc1Cl ZINC000000260681 567823197 /nfs/dbraw/zinc/82/31/97/567823197.db2.gz VSSOWOYYGCMNBI-UHFFFAOYSA-N 0 0 281.742 4.746 50 0 CJAARN Oc1cccc(Oc2cccc(Oc3ccccc3)c2)c1 ZINC000000261798 567925764 /nfs/dbraw/zinc/92/57/64/567925764.db2.gz VTEWWGHLESEIEO-UHFFFAOYSA-N 0 0 278.307 4.977 50 0 CJAARN CCCC(C)(c1ccc(C)cc1O)c1ccc(C)cc1O ZINC000000261999 169590207 /nfs/dbraw/zinc/59/02/07/169590207.db2.gz HBLQQJPMUFJAOD-UHFFFAOYSA-N 0 0 284.399 4.821 50 0 CJAARN Cc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1C ZINC000000262206 169590812 /nfs/dbraw/zinc/59/08/12/169590812.db2.gz VBPRJLREVYFOHB-UHFFFAOYSA-N 0 0 297.398 4.591 50 0 CJAARN O=C(Nc1ccc2ccccc2c1)c1cc2ccccc2o1 ZINC000000264067 169591304 /nfs/dbraw/zinc/59/13/04/169591304.db2.gz YASDGMDBKKJGGY-UHFFFAOYSA-N 0 0 287.318 4.838 50 0 CJAARN CC1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000000265026 567823314 /nfs/dbraw/zinc/82/33/14/567823314.db2.gz JMTDBKGTTSOEGW-UHFFFAOYSA-N 0 0 267.372 4.605 50 0 CJAARN Cc1ccc(NC(=O)c2cccc3ccccc32)cc1C ZINC000000265229 567823184 /nfs/dbraw/zinc/82/31/84/567823184.db2.gz GTLVHZVRNUPJQK-UHFFFAOYSA-N 0 0 275.351 4.709 50 0 CJAARN S=c1nc(-c2ccccc2Cl)oc2c1CCCC2 ZINC000000265279 169591744 /nfs/dbraw/zinc/59/17/44/169591744.db2.gz LLYXJZZNXLVJLJ-UHFFFAOYSA-N 0 0 277.776 4.603 50 0 CJAARN Clc1ccc(SCCc2nc3ccccc3o2)cc1 ZINC000000267249 169592213 /nfs/dbraw/zinc/59/22/13/169592213.db2.gz LYLRDRAEZHOQQE-UHFFFAOYSA-N 0 0 289.787 4.816 50 0 CJAARN COc1ccc(CNc2ccc(F)cc2C)c2ccccc12 ZINC000000267263 169592312 /nfs/dbraw/zinc/59/23/12/169592312.db2.gz VGJDYLSVRJTPGJ-UHFFFAOYSA-N 0 0 295.357 4.908 50 0 CJAARN Cc1ccc2cccc(SCc3ccc(F)cc3)c2n1 ZINC000000267341 567823276 /nfs/dbraw/zinc/82/32/76/567823276.db2.gz KGMHORZBDCURKE-UHFFFAOYSA-N 0 0 283.371 4.975 50 0 CJAARN CC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccccc21 ZINC000000267859 567823209 /nfs/dbraw/zinc/82/32/09/567823209.db2.gz SJEZBQBUPQBCQW-UHFFFAOYSA-N 0 0 292.382 4.921 50 0 CJAARN CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(C)cc1 ZINC000000269067 567823612 /nfs/dbraw/zinc/82/36/12/567823612.db2.gz SDJSLHHWVTWFLR-UHFFFAOYSA-N 0 0 294.398 4.584 50 0 CJAARN CC(C)(C)c1ccc(SCCc2ccncc2)cc1 ZINC000000270972 567823613 /nfs/dbraw/zinc/82/36/13/567823613.db2.gz QSMNIVDUBWQAID-UHFFFAOYSA-N 0 0 271.429 4.714 50 0 CJAARN CC[C@H](C)c1ccc(SCCc2ccccn2)cc1 ZINC000000270989 169593526 /nfs/dbraw/zinc/59/35/26/169593526.db2.gz KPOWTJMAHVEHIB-AWEZNQCLSA-N 0 0 271.429 4.930 50 0 CJAARN CC(C)c1ccc(SCCc2ccncc2)cc1 ZINC000000270998 169593367 /nfs/dbraw/zinc/59/33/67/169593367.db2.gz NUZGRBGEGXXEIY-UHFFFAOYSA-N 0 0 257.402 4.540 50 0 CJAARN O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000000271027 169593541 /nfs/dbraw/zinc/59/35/41/169593541.db2.gz JXOXDCYKZKTSHE-RMKNXTFCSA-N 0 0 292.165 4.645 50 0 CJAARN O=C(N1CCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000271506 567823776 /nfs/dbraw/zinc/82/37/76/567823776.db2.gz NDGTWBCNSNJJBQ-UHFFFAOYSA-N 0 0 290.366 4.524 50 0 CJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000271608 169593447 /nfs/dbraw/zinc/59/34/47/169593447.db2.gz HTIFYGBRJKEMSV-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN Cc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1C ZINC000000271661 567823532 /nfs/dbraw/zinc/82/35/32/567823532.db2.gz BTACCJBQFZFTKK-UHFFFAOYSA-N 0 0 296.395 4.876 50 0 CJAARN COCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000271931 169593785 /nfs/dbraw/zinc/59/37/85/169593785.db2.gz GHIGALAOSIEAEP-UHFFFAOYSA-N 0 0 280.154 4.705 50 0 CJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000000272208 567823510 /nfs/dbraw/zinc/82/35/10/567823510.db2.gz WXABGWMWOMYZGI-UHFFFAOYSA-N 0 0 280.154 4.554 50 0 CJAARN Cc1cc(Cl)ccc1NC(=O)c1ccccc1Cl ZINC000000272438 567823605 /nfs/dbraw/zinc/82/36/05/567823605.db2.gz NBUOHKOSEKAHFW-UHFFFAOYSA-N 0 0 280.154 4.554 50 0 CJAARN Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1 ZINC000000273973 567823757 /nfs/dbraw/zinc/82/37/57/567823757.db2.gz UDSGAGSEDJVKAD-UHFFFAOYSA-N 0 0 284.409 4.544 50 0 CJAARN CC[C@H](C)c1ccc(SCCc2ccncc2)cc1 ZINC000000274105 169594514 /nfs/dbraw/zinc/59/45/14/169594514.db2.gz QOFZYMCIWGNOJZ-AWEZNQCLSA-N 0 0 271.429 4.930 50 0 CJAARN Cc1ccc2[nH]c(SCc3ccc(Cl)cc3)nc2c1 ZINC000000274351 567926074 /nfs/dbraw/zinc/92/60/74/567926074.db2.gz PWJYBZWYQPNBKP-UHFFFAOYSA-N 0 0 288.803 4.817 50 0 CJAARN Cc1cc(C)c(NC(=O)C[C@@H](C)c2ccccc2)c(C)c1 ZINC000000275274 567823495 /nfs/dbraw/zinc/82/34/95/567823495.db2.gz GGPQVZOAVUDZCO-CQSZACIVSA-N 0 0 281.399 4.744 50 0 CJAARN Cc1cc(C)c(NC(=O)C[C@H](C)c2ccccc2)c(C)c1 ZINC000000275277 567823772 /nfs/dbraw/zinc/82/37/72/567823772.db2.gz GGPQVZOAVUDZCO-AWEZNQCLSA-N 0 0 281.399 4.744 50 0 CJAARN COc1ccc(C)cc1NCc1ccc2ccccc2c1 ZINC000000275570 567926049 /nfs/dbraw/zinc/92/60/49/567926049.db2.gz MCJYLXWXGFDHNE-UHFFFAOYSA-N 0 0 277.367 4.769 50 0 CJAARN Clc1ccc(-c2csc3nc4ccccc4n23)cc1 ZINC000000275832 169594900 /nfs/dbraw/zinc/59/49/00/169594900.db2.gz KVGAIKBYWWKQKF-UHFFFAOYSA-N 0 0 284.771 4.869 50 0 CJAARN c1csc(-c2nnc(-c3cccc4ccccc43)o2)c1 ZINC000000276085 169594978 /nfs/dbraw/zinc/59/49/78/169594978.db2.gz DCAJIBUNDQMIRJ-UHFFFAOYSA-N 0 0 278.336 4.618 50 0 CJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000000276242 567823747 /nfs/dbraw/zinc/82/37/47/567823747.db2.gz NZFDVLKKZLIUBL-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN O=C1C[C@@H](c2ccc(F)cc2)Nc2ccc3ccccc3c21 ZINC000000276264 567887532 /nfs/dbraw/zinc/88/75/32/567887532.db2.gz ARBZJJDSSSWMMV-KRWDZBQOSA-N 0 0 291.325 4.719 50 0 CJAARN O=C1C[C@H](c2ccc(F)cc2)Nc2ccc3ccccc3c21 ZINC000000276266 567887273 /nfs/dbraw/zinc/88/72/73/567887273.db2.gz ARBZJJDSSSWMMV-QGZVFWFLSA-N 0 0 291.325 4.719 50 0 CJAARN O=C1C[C@@H](c2ccccc2F)Nc2ccc3ccccc3c21 ZINC000000276267 567823518 /nfs/dbraw/zinc/82/35/18/567823518.db2.gz LATJKJLTYBGMRE-KRWDZBQOSA-N 0 0 291.325 4.719 50 0 CJAARN O=C1C[C@H](c2ccccc2F)Nc2ccc3ccccc3c21 ZINC000000276268 567823573 /nfs/dbraw/zinc/82/35/73/567823573.db2.gz LATJKJLTYBGMRE-QGZVFWFLSA-N 0 0 291.325 4.719 50 0 CJAARN O=C1C[C@@H](c2cccs2)Nc2ccc3ccccc3c21 ZINC000000276282 567823455 /nfs/dbraw/zinc/82/34/55/567823455.db2.gz HBNSOAUDSMQJPC-AWEZNQCLSA-N 0 0 279.364 4.641 50 0 CJAARN O=C1C[C@H](c2cccs2)Nc2ccc3ccccc3c21 ZINC000000276285 567823579 /nfs/dbraw/zinc/82/35/79/567823579.db2.gz HBNSOAUDSMQJPC-CQSZACIVSA-N 0 0 279.364 4.641 50 0 CJAARN COc1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000276420 567823642 /nfs/dbraw/zinc/82/36/42/567823642.db2.gz QHGNUMUYMCOSAI-UHFFFAOYSA-N 0 0 287.409 4.597 50 0 CJAARN CC(C)COC(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000000276822 567823608 /nfs/dbraw/zinc/82/36/08/567823608.db2.gz UDQGCNQSIVYSON-UHFFFAOYSA-N 0 0 297.565 4.818 50 0 CJAARN CC[C@@H](C)c1ccc2oc(-c3ccc(N)cc3)nc2c1 ZINC000000277377 567823756 /nfs/dbraw/zinc/82/37/56/567823756.db2.gz HMWNYDODKXTURV-LLVKDONJSA-N 0 0 266.344 4.591 50 0 CJAARN CC[C@H](C)c1ccc2oc(-c3ccc(N)cc3)nc2c1 ZINC000000277380 169595050 /nfs/dbraw/zinc/59/50/50/169595050.db2.gz HMWNYDODKXTURV-NSHDSACASA-N 0 0 266.344 4.591 50 0 CJAARN COc1ccccc1C[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000000279549 567883837 /nfs/dbraw/zinc/88/38/37/567883837.db2.gz PZONJURDASUDGJ-NSHDSACASA-N 0 0 293.769 4.531 50 0 CJAARN COc1ccccc1C[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000000279551 567883842 /nfs/dbraw/zinc/88/38/42/567883842.db2.gz PZONJURDASUDGJ-LLVKDONJSA-N 0 0 293.769 4.531 50 0 CJAARN COc1ccc2ccccc2c1CNc1cccc(F)c1 ZINC000000279599 567935920 /nfs/dbraw/zinc/93/59/20/567935920.db2.gz OJNPIXASPPHTKG-UHFFFAOYSA-N 0 0 281.330 4.600 50 0 CJAARN COc1ccc(CNc2ccc(C)cc2)c2ccccc12 ZINC000000279615 567935907 /nfs/dbraw/zinc/93/59/07/567935907.db2.gz YEGJCTMULDNOGI-UHFFFAOYSA-N 0 0 277.367 4.769 50 0 CJAARN COc1ccc2ccccc2c1CNc1ccc(F)cc1 ZINC000000279681 567936030 /nfs/dbraw/zinc/93/60/30/567936030.db2.gz LSHHVJNWRYHNOV-UHFFFAOYSA-N 0 0 281.330 4.600 50 0 CJAARN CCOc1ccccc1CNc1cccc(Cl)c1C ZINC000000279687 567823465 /nfs/dbraw/zinc/82/34/65/567823465.db2.gz MEWUNHRRMHCLSN-UHFFFAOYSA-N 0 0 275.779 4.659 50 0 CJAARN COc1ccc(CNc2cccc(Cl)c2C)cc1C ZINC000000279754 567935933 /nfs/dbraw/zinc/93/59/33/567935933.db2.gz VFICMXOVVYYLBS-UHFFFAOYSA-N 0 0 275.779 4.578 50 0 CJAARN COc1cc(C)c(CNc2cccc(SC)c2)cc1C ZINC000000279872 567823645 /nfs/dbraw/zinc/82/36/45/567823645.db2.gz BRTLDJVFWVOLPL-UHFFFAOYSA-N 0 0 287.428 4.646 50 0 CJAARN COc1ccc(C[C@H](C)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000279963 567823644 /nfs/dbraw/zinc/82/36/44/567823644.db2.gz OFTSDRLISFYUJS-NSHDSACASA-N 0 0 293.769 4.531 50 0 CJAARN COc1ccc(C[C@@H](C)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000279964 567935903 /nfs/dbraw/zinc/93/59/03/567935903.db2.gz OFTSDRLISFYUJS-LLVKDONJSA-N 0 0 293.769 4.531 50 0 CJAARN COc1ccc(CNc2cccc(Cl)c2C)c(C)c1C ZINC000000280151 567824051 /nfs/dbraw/zinc/82/40/51/567824051.db2.gz YEOHHKXOKGQNOY-UHFFFAOYSA-N 0 0 289.806 4.886 50 0 CJAARN COc1ccc(CNc2cccc(F)c2)c2ccccc12 ZINC000000280238 327636920 /nfs/dbraw/zinc/63/69/20/327636920.db2.gz FANADXFDJLEZLM-UHFFFAOYSA-N 0 0 281.330 4.600 50 0 CJAARN COc1ccc(CNc2ccc(F)c(F)c2)c2ccccc12 ZINC000000280303 327636742 /nfs/dbraw/zinc/63/67/42/327636742.db2.gz RZVIDWXYARILMY-UHFFFAOYSA-N 0 0 299.320 4.739 50 0 CJAARN C/C=C(\C)CNc1cc(-c2ccccc2)ccc1OC ZINC000000280378 567823944 /nfs/dbraw/zinc/82/39/44/567823944.db2.gz CEFXGMXZYQALNV-LNKIKWGQSA-N 0 0 267.372 4.740 50 0 CJAARN COc1ccc(CNc2ccc(F)c(Cl)c2)c(C)c1C ZINC000000280436 259999436 /nfs/dbraw/zinc/99/94/36/259999436.db2.gz LOEFSOXXNZUBCJ-UHFFFAOYSA-N 0 0 293.769 4.717 50 0 CJAARN COc1ccc2ccccc2c1CNc1ccc(F)c(F)c1 ZINC000000280574 327636830 /nfs/dbraw/zinc/63/68/30/327636830.db2.gz BRWLOLGWNLTKEV-UHFFFAOYSA-N 0 0 299.320 4.739 50 0 CJAARN COc1ccc(CNc2cccc(C)c2)c2ccccc12 ZINC000000280586 567935966 /nfs/dbraw/zinc/93/59/66/567935966.db2.gz BGVUAEPLHGXLKL-UHFFFAOYSA-N 0 0 277.367 4.769 50 0 CJAARN COc1ccc2oc3cc(C)nc(-c4ccccc4)c3c2c1 ZINC000000280632 567926254 /nfs/dbraw/zinc/92/62/54/567926254.db2.gz POXMYBOBPAUIME-UHFFFAOYSA-N 0 0 289.334 4.965 50 0 CJAARN COc1ccccc1Nc1nc(-c2cccs2)cs1 ZINC000000281303 169596268 /nfs/dbraw/zinc/59/62/68/169596268.db2.gz ZXKZAXGRBLECJJ-UHFFFAOYSA-N 0 0 288.397 4.624 50 0 aggregator CJAARN Cc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 ZINC000000281341 566964400 /nfs/dbraw/zinc/96/44/00/566964400.db2.gz QNOVHTCEUMTCDF-UHFFFAOYSA-N 0 0 299.420 4.580 50 0 CJAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000000281602 567823927 /nfs/dbraw/zinc/82/39/27/567823927.db2.gz CINHWMYRCOGYIX-UHFFFAOYSA-N 0 0 274.319 4.573 50 0 CJAARN O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000000281603 566875737 /nfs/dbraw/zinc/87/57/37/566875737.db2.gz CVFOOITZUMFCJZ-UHFFFAOYSA-N 0 0 280.367 4.954 50 0 CJAARN 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/nfs/dbraw/zinc/82/80/05/567828005.db2.gz SDHAUMYOSIOTDD-ZDUSSCGKSA-N 0 0 267.372 4.761 50 0 CJAARN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000000383662 567828162 /nfs/dbraw/zinc/82/81/62/567828162.db2.gz FWUQKNUAAPZLMP-CQSZACIVSA-N 0 0 267.372 4.761 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)c1cccc(C)c1 ZINC000000383663 567828144 /nfs/dbraw/zinc/82/81/44/567828144.db2.gz FWUQKNUAAPZLMP-AWEZNQCLSA-N 0 0 267.372 4.761 50 0 CJAARN CC[C@@H](C)c1ccccc1NC(=O)C1CCCCC1 ZINC000000383675 566964608 /nfs/dbraw/zinc/96/46/08/566964608.db2.gz CMAKKNLPXJQFRU-CYBMUJFWSA-N 0 0 259.393 4.719 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)C1CCCCC1 ZINC000000383676 566963645 /nfs/dbraw/zinc/96/36/45/566963645.db2.gz CMAKKNLPXJQFRU-ZDUSSCGKSA-N 0 0 259.393 4.719 50 0 CJAARN CCOc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000383688 169625085 /nfs/dbraw/zinc/62/50/85/169625085.db2.gz CWWZSIZUCZLGMR-UHFFFAOYSA-N 0 0 297.398 4.635 50 0 CJAARN Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1cccs1 ZINC000000384046 567828502 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/nfs/dbraw/zinc/62/56/69/169625669.db2.gz IEWWTKVYWQMDQW-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN Cc1ccc(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000000385235 567828484 /nfs/dbraw/zinc/82/84/84/567828484.db2.gz JLBBPQCOVPTZLW-UHFFFAOYSA-N 0 0 293.288 4.575 50 0 CJAARN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000000385237 567828445 /nfs/dbraw/zinc/82/84/45/567828445.db2.gz QQEQWLPQNOPFJY-UHFFFAOYSA-N 0 0 293.288 4.575 50 0 CJAARN Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000000385238 567828219 /nfs/dbraw/zinc/82/82/19/567828219.db2.gz FYZGPICWIJVNJA-UHFFFAOYSA-N 0 0 293.288 4.575 50 0 CJAARN O=C(Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000000385241 567828274 /nfs/dbraw/zinc/82/82/74/567828274.db2.gz CGDSIFCHWCLKDE-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000000385363 567828292 /nfs/dbraw/zinc/82/82/92/567828292.db2.gz QCOLMNZWCBFLJX-UHFFFAOYSA-N 0 0 293.288 4.575 50 0 CJAARN COc1ccc(-c2cc3ccc(OC)cc3s2)cc1 ZINC000000385624 169625961 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169626754 /nfs/dbraw/zinc/62/67/54/169626754.db2.gz QUUFXVHYBIEYPC-ZFWWWQNUSA-N 0 0 254.377 4.509 50 0 CJAARN CC(C)[C@@H]1CC[C@@H](C)c2cnn(-c3ccccc3)c21 ZINC000000387839 567828475 /nfs/dbraw/zinc/82/84/75/567828475.db2.gz QUUFXVHYBIEYPC-HIFRSBDPSA-N 0 0 254.377 4.509 50 0 CJAARN CC(C)[C@H]1CC[C@H](C)c2cnn(-c3ccccc3)c21 ZINC000000387840 567828336 /nfs/dbraw/zinc/82/83/36/567828336.db2.gz QUUFXVHYBIEYPC-DZGCQCFKSA-N 0 0 254.377 4.509 50 0 CJAARN CC(C)[C@H]1CC[C@@H](C)c2cnn(-c3ccccc3)c21 ZINC000000387841 567828252 /nfs/dbraw/zinc/82/82/52/567828252.db2.gz QUUFXVHYBIEYPC-UKRRQHHQSA-N 0 0 254.377 4.509 50 0 CJAARN COc1ccc(-c2n[nH]c3c2[C@@H](C)CC[C@H]3C(C)C)cc1 ZINC000000387845 567828422 /nfs/dbraw/zinc/82/84/22/567828422.db2.gz KGHOBCMCJCYPTD-WFASDCNBSA-N 0 0 284.403 4.722 50 0 CJAARN COc1ccc(-c2n[nH]c3c2[C@@H](C)CC[C@@H]3C(C)C)cc1 ZINC000000387847 567828439 /nfs/dbraw/zinc/82/84/39/567828439.db2.gz KGHOBCMCJCYPTD-SWLSCSKDSA-N 0 0 284.403 4.722 50 0 CJAARN COc1ccc(-c2n[nH]c3c2[C@H](C)CC[C@@H]3C(C)C)cc1 ZINC000000387848 567828318 /nfs/dbraw/zinc/82/83/18/567828318.db2.gz KGHOBCMCJCYPTD-IUODEOHRSA-N 0 0 284.403 4.722 50 0 CJAARN COCn1nc(-c2ccccc2)c2c1[C@H](C(C)C)CC[C@@H]2C ZINC000000387851 567828283 /nfs/dbraw/zinc/82/82/83/567828283.db2.gz RCTXBCQDFZWWAD-HOCLYGCPSA-N 0 0 298.430 4.791 50 0 CJAARN COCn1nc(-c2ccccc2)c2c1[C@H](C(C)C)CC[C@H]2C ZINC000000387852 169626980 /nfs/dbraw/zinc/62/69/80/169626980.db2.gz RCTXBCQDFZWWAD-ZBFHGGJFSA-N 0 0 298.430 4.791 50 0 CJAARN COCn1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@@H]2C ZINC000000387853 169626706 /nfs/dbraw/zinc/62/67/06/169626706.db2.gz RCTXBCQDFZWWAD-GOEBONIOSA-N 0 0 298.430 4.791 50 0 CJAARN COCn1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@H]2C ZINC000000387854 567828455 /nfs/dbraw/zinc/82/84/55/567828455.db2.gz RCTXBCQDFZWWAD-GDBMZVCRSA-N 0 0 298.430 4.791 50 0 CJAARN COc1ccccc1-c1n[nH]c2c1[C@@H](C)CC[C@@H]2C(C)C ZINC000000387855 567927835 /nfs/dbraw/zinc/92/78/35/567927835.db2.gz DOCULXUTTBJQHV-QWHCGFSZSA-N 0 0 284.403 4.722 50 0 CJAARN CC(C)[NH+](C(C)C)P(OC(C)(C)C)OC(C)(C)C ZINC000000388503 560178008 /nfs/dbraw/zinc/17/80/08/560178008.db2.gz YGFLCNPXEPDANQ-UHFFFAOYSA-N 0 0 277.389 4.962 50 0 in-vitro CJAARN CC[C@@H](C)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000000388972 169626790 /nfs/dbraw/zinc/62/67/90/169626790.db2.gz IHHCYNCBOYLATG-CYBMUJFWSA-N 0 0 274.408 4.654 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000000388973 566964104 /nfs/dbraw/zinc/96/41/04/566964104.db2.gz IHHCYNCBOYLATG-ZDUSSCGKSA-N 0 0 274.408 4.654 50 0 CJAARN O=C(Nc1ccccc1-c1ccccc1)NC1CCCCC1 ZINC000000388975 169626975 /nfs/dbraw/zinc/62/69/75/169626975.db2.gz QKALACRQPYBCCD-UHFFFAOYSA-N 0 0 294.398 4.808 50 0 CJAARN C[C@H]1CCC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000000390022 567828397 /nfs/dbraw/zinc/82/83/97/567828397.db2.gz FMDPBODKNSBROZ-DZGCQCFKSA-N 0 0 282.387 4.540 50 0 CJAARN C[C@@H]1CCC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000000390023 169627487 /nfs/dbraw/zinc/62/74/87/169627487.db2.gz 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280.323 4.523 50 0 CJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000000432049 567936217 /nfs/dbraw/zinc/93/62/17/567936217.db2.gz AFPXDAVMISPLPL-UHFFFAOYSA-N 0 0 291.325 4.745 50 0 CJAARN Cc1cccc(Nc2nc(-c3cccs3)cs2)c1 ZINC000000432206 567830026 /nfs/dbraw/zinc/83/00/26/567830026.db2.gz XJARCAHJFWMSDZ-UHFFFAOYSA-N 0 0 272.398 4.924 50 0 CJAARN CC(=O)CCc1oc2ccc(C)cc2c1-c1ccccc1 ZINC000000432245 567830094 /nfs/dbraw/zinc/83/00/94/567830094.db2.gz OGIISMMNKAIIKZ-UHFFFAOYSA-N 0 0 278.351 4.930 50 0 CJAARN Cc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000000433075 567829982 /nfs/dbraw/zinc/82/99/82/567829982.db2.gz GJRZNZPBYIPUCF-UHFFFAOYSA-N 0 0 282.343 4.664 50 0 CJAARN Cc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1 ZINC000000434055 169639545 /nfs/dbraw/zinc/63/95/45/169639545.db2.gz KOGYZDBZPGYOIN-UHFFFAOYSA-N 0 0 288.416 4.514 50 0 CJAARN COc1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000000434246 567930836 /nfs/dbraw/zinc/93/08/36/567930836.db2.gz QDJZCXQHYHBCAC-UHFFFAOYSA-N 0 0 296.395 4.871 50 0 CJAARN COc1ccccc1Nc1nc2cc(C)ccc2cc1C ZINC000000435027 567830060 /nfs/dbraw/zinc/83/00/60/567830060.db2.gz ORJNTYZQHUADME-UHFFFAOYSA-N 0 0 278.355 4.604 50 0 CJAARN c1ccc(-c2nc3ccccc3c(NC3CCCC3)n2)cc1 ZINC000000435268 570383126 /nfs/dbraw/zinc/38/31/26/570383126.db2.gz WSTDGGDTEZNZHK-UHFFFAOYSA-N 0 0 289.382 4.651 50 0 CJAARN CCCc1noc(-c2ccc(-c3ccc(CC)cc3)cc2)n1 ZINC000000435661 567829941 /nfs/dbraw/zinc/82/99/41/567829941.db2.gz KIFMLDSBQMENAR-UHFFFAOYSA-N 0 0 292.382 4.919 50 0 CJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000000437039 567830070 /nfs/dbraw/zinc/83/00/70/567830070.db2.gz AHDMSHKQMKOWPZ-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN CCCC1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC000000437449 567830076 /nfs/dbraw/zinc/83/00/76/567830076.db2.gz ORSIYCPFFIHDDM-UHFFFAOYSA-N 0 0 260.377 4.686 50 0 CJAARN O=C(Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000000437453 567830100 /nfs/dbraw/zinc/83/01/00/567830100.db2.gz DKZLZABIBVKBRJ-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN COc1ccc(C)cc1NCc1cccc2ccccc21 ZINC000000437487 567936147 /nfs/dbraw/zinc/93/61/47/567936147.db2.gz ZBNJUZKCPIACDF-UHFFFAOYSA-N 0 0 277.367 4.769 50 0 CJAARN O=C(c1sc2ccccc2c1Cl)N1CCCCCC1 ZINC000000437668 567829839 /nfs/dbraw/zinc/82/98/39/567829839.db2.gz IVOMSROVGCQSNN-UHFFFAOYSA-N 0 0 293.819 4.571 50 0 CJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1 ZINC000000437959 169640388 /nfs/dbraw/zinc/64/03/88/169640388.db2.gz USRLHYLQHBKPRU-AWEZNQCLSA-N 0 0 287.790 4.781 50 0 CJAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)c1ccccc1 ZINC000000437960 567830104 /nfs/dbraw/zinc/83/01/04/567830104.db2.gz USRLHYLQHBKPRU-CQSZACIVSA-N 0 0 287.790 4.781 50 0 CJAARN Cc1ccccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000000438165 567830116 /nfs/dbraw/zinc/83/01/16/567830116.db2.gz FWBMDQSMCWGKIF-UHFFFAOYSA-N 0 0 280.154 4.554 50 0 CJAARN COc1ccc(C2(c3ccccc3OC)CCCC2)cc1 ZINC000000438195 567830053 /nfs/dbraw/zinc/83/00/53/567830053.db2.gz ZLBNLWLBISYXIL-UHFFFAOYSA-N 0 0 282.383 4.564 50 0 CJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Cl ZINC000000438298 567829928 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/nfs/dbraw/zinc/64/07/79/169640779.db2.gz WADIHVZBGMGTTC-UHFFFAOYSA-N 0 0 296.395 4.952 50 0 CJAARN c1ccc2c(c1)N[C@H]1CCCC[C@H]1C1(CCCCC1)N2 ZINC000000439785 169640736 /nfs/dbraw/zinc/64/07/36/169640736.db2.gz BHWUYXIYYUKRQR-CABCVRRESA-N 0 0 270.420 4.786 50 0 CJAARN c1ccc2c(c1)N[C@H]1CCCC[C@@H]1C1(CCCCC1)N2 ZINC000000439786 567875850 /nfs/dbraw/zinc/87/58/50/567875850.db2.gz BHWUYXIYYUKRQR-GJZGRUSLSA-N 0 0 270.420 4.786 50 0 CJAARN c1ccc2c(c1)N[C@@H]1CCCC[C@H]1C1(CCCCC1)N2 ZINC000000439787 169640728 /nfs/dbraw/zinc/64/07/28/169640728.db2.gz BHWUYXIYYUKRQR-HUUCEWRRSA-N 0 0 270.420 4.786 50 0 CJAARN c1ccc2c(c1)N[C@@H]1CCCC[C@@H]1C1(CCCCC1)N2 ZINC000000439788 567875663 /nfs/dbraw/zinc/87/56/63/567875663.db2.gz BHWUYXIYYUKRQR-LSDHHAIUSA-N 0 0 270.420 4.786 50 0 CJAARN Clc1ccc(SCCc2ccccn2)cc1Cl ZINC000000440456 570369799 /nfs/dbraw/zinc/36/97/99/570369799.db2.gz HJAGGJKNZKSQRV-UHFFFAOYSA-N 0 0 284.211 4.723 50 0 CJAARN Fc1ccccc1Nc1nc(-c2ccccc2)cs1 ZINC000000440462 567830248 /nfs/dbraw/zinc/83/02/48/567830248.db2.gz CXODMWJRNQWJPF-UHFFFAOYSA-N 0 0 270.332 4.693 50 0 CJAARN CC(=O)CCc1oc2ccccc2c1-c1ccccc1 ZINC000000440638 567830406 /nfs/dbraw/zinc/83/04/06/567830406.db2.gz FKLJGRSLWDZFSS-UHFFFAOYSA-N 0 0 264.324 4.621 50 0 CJAARN Cc1ccc(-c2csc(Nc3cccc(O)c3)n2)cc1C ZINC000000440813 567830231 /nfs/dbraw/zinc/83/02/31/567830231.db2.gz CTKNAWCAFXXDAI-UHFFFAOYSA-N 0 0 296.395 4.876 50 0 CJAARN Cc1ccc(-c2csc(Nc3ccccn3)n2)c(C)c1 ZINC000000440816 169641124 /nfs/dbraw/zinc/64/11/24/169641124.db2.gz NCLJBWJICDDMBS-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN Cc1ccc(C)c(NC(=O)CCC2CCCCC2)c1 ZINC000000441583 169641585 /nfs/dbraw/zinc/64/15/85/169641585.db2.gz SFUKSLHUEJQUIB-UHFFFAOYSA-N 0 0 259.393 4.602 50 0 CJAARN Cc1ccc(Cl)cc1NC(=O)CCC1CCCC1 ZINC000000441663 567830426 /nfs/dbraw/zinc/83/04/26/567830426.db2.gz BXJBQVFCWPJYIE-UHFFFAOYSA-N 0 0 265.784 4.557 50 0 CJAARN CCc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000000441717 567830324 /nfs/dbraw/zinc/83/03/24/567830324.db2.gz LUHKTBMNZAXYRO-UHFFFAOYSA-N 0 0 267.372 4.625 50 0 CJAARN CCc1cccc(CC)c1NC(=O)/C=C/c1cccs1 ZINC000000442175 566904453 /nfs/dbraw/zinc/90/44/53/566904453.db2.gz BJYSHKHOAOQGJN-ZHACJKMWSA-N 0 0 285.412 4.525 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000000442191 567830206 /nfs/dbraw/zinc/83/02/06/567830206.db2.gz RRLUYWOMFOJTQT-OAHLLOKOSA-N 0 0 297.398 4.526 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000000442192 567830234 /nfs/dbraw/zinc/83/02/34/567830234.db2.gz RRLUYWOMFOJTQT-HNNXBMFYSA-N 0 0 297.398 4.526 50 0 CJAARN CC(C)c1ccccc1NC(=O)/C=C/c1cccs1 ZINC000000442196 567830431 /nfs/dbraw/zinc/83/04/31/567830431.db2.gz XRJFUPHMMBGFOK-MDZDMXLPSA-N 0 0 271.385 4.523 50 0 CJAARN O=C(NCCC1=CCCCC1)c1c(Cl)cccc1Cl ZINC000000442433 169641767 /nfs/dbraw/zinc/64/17/67/169641767.db2.gz GLDOZZNSDYWICD-UHFFFAOYSA-N 0 0 298.213 4.614 50 0 CJAARN Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000000443112 567830418 /nfs/dbraw/zinc/83/04/18/567830418.db2.gz QFEJQENMJXBYMO-FNORWQNLSA-N 0 0 296.153 4.547 50 0 CJAARN Cc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000000443301 567830460 /nfs/dbraw/zinc/83/04/60/567830460.db2.gz LWNAIJVPBNFMBC-BQYQJAHWSA-N 0 0 296.153 4.547 50 0 CJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCCCC1 ZINC000000443405 169641814 /nfs/dbraw/zinc/64/18/14/169641814.db2.gz OEEWUBQMGMBXCC-UHFFFAOYSA-N 0 0 294.398 4.949 50 0 CJAARN O=C(CCc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000000443412 567830332 /nfs/dbraw/zinc/83/03/32/567830332.db2.gz DOWQTIRZAPUFHE-UHFFFAOYSA-N 0 0 294.181 4.565 50 0 CJAARN O=C(CSc1ccccc1)Nc1ccc2ccccc2c1 ZINC000000443662 567830196 /nfs/dbraw/zinc/83/01/96/567830196.db2.gz DXFZZYCZBXCJDA-UHFFFAOYSA-N 0 0 293.391 4.571 50 0 CJAARN CC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000443757 567830330 /nfs/dbraw/zinc/83/03/30/567830330.db2.gz DGYIFMGBCASPLK-UHFFFAOYSA-N 0 0 293.716 4.734 50 0 CJAARN CCc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000000443802 567830421 /nfs/dbraw/zinc/83/04/21/567830421.db2.gz XWZFTVCSJGCMNA-UHFFFAOYSA-N 0 0 293.288 4.520 50 0 CJAARN O=C(Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000000443819 169642272 /nfs/dbraw/zinc/64/22/72/169642272.db2.gz VYKDAPKJERPIOZ-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN Cc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)o1 ZINC000000443871 567887946 /nfs/dbraw/zinc/88/79/46/567887946.db2.gz HXRGBTQEJOTBBR-UHFFFAOYSA-N 0 0 277.323 4.507 50 0 CJAARN Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000000443896 567830357 /nfs/dbraw/zinc/83/03/57/567830357.db2.gz SXGKOIHGYHHYMD-UHFFFAOYSA-N 0 0 293.288 4.575 50 0 CJAARN CC(C)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000000443900 169642341 /nfs/dbraw/zinc/64/23/41/169642341.db2.gz HWONHDVBRLPDLO-UHFFFAOYSA-N 0 0 285.412 4.541 50 0 CJAARN CCc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000000443929 567830230 /nfs/dbraw/zinc/83/02/30/567830230.db2.gz FOKPTYZTKWWIQV-UHFFFAOYSA-N 0 0 293.288 4.520 50 0 CJAARN Cc1ccc(CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000000443960 567830318 /nfs/dbraw/zinc/83/03/18/567830318.db2.gz HVKKWJPGCZDSNQ-UHFFFAOYSA-N 0 0 288.803 4.817 50 0 CJAARN COc1ccc(C(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000000444084 567936264 /nfs/dbraw/zinc/93/62/64/567936264.db2.gz LKQLIJUPOHGVOM-UHFFFAOYSA-N 0 0 296.753 4.733 50 0 CJAARN O=C(Nc1ccccc1Cl)c1ccccc1C(F)(F)F ZINC000000444232 567830749 /nfs/dbraw/zinc/83/07/49/567830749.db2.gz CBVKYRGTGNCYLK-UHFFFAOYSA-N 0 0 299.679 4.611 50 0 CJAARN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1C ZINC000000444404 567830643 /nfs/dbraw/zinc/83/06/43/567830643.db2.gz HCMFYFULDDPPTJ-UHFFFAOYSA-N 0 0 275.351 4.709 50 0 CJAARN CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000000444409 169642204 /nfs/dbraw/zinc/64/22/04/169642204.db2.gz KVWMUFQGQWWDRK-UHFFFAOYSA-N 0 0 294.354 4.542 50 0 CJAARN CCC(=O)Nc1nc(-c2ccc(C)c3ccccc23)cs1 ZINC000000444492 567830760 /nfs/dbraw/zinc/83/07/60/567830760.db2.gz YHKXBNSRADJRRI-UHFFFAOYSA-N 0 0 296.395 4.620 50 0 CJAARN CCCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000000444700 567830690 /nfs/dbraw/zinc/83/06/90/567830690.db2.gz KUGCOIGWFQHJMG-UHFFFAOYSA-N 0 0 294.354 4.542 50 0 CJAARN CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000000444705 567830570 /nfs/dbraw/zinc/83/05/70/567830570.db2.gz KKLIRGYHEBRBGG-UHFFFAOYSA-N 0 0 294.354 4.542 50 0 CJAARN C=C1c2cc(C)ccc2NC(=O)N1c1cccc(Cl)c1 ZINC000000445576 567830780 /nfs/dbraw/zinc/83/07/80/567830780.db2.gz MZUUYLCLNODIFD-UHFFFAOYSA-N 0 0 284.746 4.671 50 0 CJAARN C=C1c2cc(C)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000000445649 567830567 /nfs/dbraw/zinc/83/05/67/567830567.db2.gz AHDXUPRGXXIDEI-UHFFFAOYSA-N 0 0 284.746 4.671 50 0 CJAARN COc1ccc(Nc2cc(C)c3cc(C)ccc3n2)cc1 ZINC000000446376 567830758 /nfs/dbraw/zinc/83/07/58/567830758.db2.gz SIXNREBDCINMSQ-UHFFFAOYSA-N 0 0 278.355 4.604 50 0 CJAARN CC(C)CCn1c(COc2ccccc2)nc2ccccc21 ZINC000000446708 567830724 /nfs/dbraw/zinc/83/07/24/567830724.db2.gz ZEGZQPVODLSVKZ-UHFFFAOYSA-N 0 0 294.398 4.661 50 0 CJAARN CCc1cc2c(ncnc2Nc2ccccc2Cl)s1 ZINC000000447046 567830739 /nfs/dbraw/zinc/83/07/39/567830739.db2.gz WWZXQEXSMLGUOD-UHFFFAOYSA-N 0 0 289.791 4.651 50 0 CJAARN Cc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c(C)c1 ZINC000000447363 567830630 /nfs/dbraw/zinc/83/06/30/567830630.db2.gz KSJYZXUMCSVYTN-UHFFFAOYSA-N 0 0 297.398 4.591 50 0 CJAARN Cc1ccc(C)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000000447600 567830524 /nfs/dbraw/zinc/83/05/24/567830524.db2.gz ZBEIIXHEXKNCMQ-UHFFFAOYSA-N 0 0 297.398 4.591 50 0 CJAARN Clc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000000448158 567830765 /nfs/dbraw/zinc/83/07/65/567830765.db2.gz QMNBGABNQZYOAG-UHFFFAOYSA-N 0 0 264.111 4.802 50 0 CJAARN CSc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000448457 567830783 /nfs/dbraw/zinc/83/07/83/567830783.db2.gz HUAPMPQNYOFGQT-UHFFFAOYSA-N 0 0 292.791 4.706 50 0 CJAARN CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(O)cc12 ZINC000000448697 567830626 /nfs/dbraw/zinc/83/06/26/567830626.db2.gz FQYFPSDOAKZALI-UHFFFAOYSA-N 0 0 299.757 4.501 50 0 CJAARN O=C(/C=C/c1ccco1)Nc1ccccc1-c1ccccc1 ZINC000000449261 169643730 /nfs/dbraw/zinc/64/37/30/169643730.db2.gz GQYONKWWVQLRBI-OUKQBFOZSA-N 0 0 289.334 4.599 50 0 CJAARN CCc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000449534 567830597 /nfs/dbraw/zinc/83/05/97/567830597.db2.gz FGKLPAVGPBIPQH-UHFFFAOYSA-N 0 0 275.351 4.655 50 0 CJAARN CC(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000449722 169643763 /nfs/dbraw/zinc/64/37/63/169643763.db2.gz MJRRKYUCTQTSAN-UHFFFAOYSA-N 0 0 289.762 4.727 50 0 CJAARN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000000449797 567830718 /nfs/dbraw/zinc/83/07/18/567830718.db2.gz UWQPKUZPEPGECQ-UHFFFAOYSA-N 0 0 267.372 4.679 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000000449977 169643543 /nfs/dbraw/zinc/64/35/43/169643543.db2.gz HCYKHOUURCNTKV-MRVPVSSYSA-N 0 0 294.609 4.509 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000000449978 169643594 /nfs/dbraw/zinc/64/35/94/169643594.db2.gz HCYKHOUURCNTKV-QMMMGPOBSA-N 0 0 294.609 4.509 50 0 CJAARN CC[C@H](C(=O)N(CC)c1ccccc1C)c1ccccc1 ZINC000000449989 567830725 /nfs/dbraw/zinc/83/07/25/567830725.db2.gz DZGZYNGAUZLOIG-KRWDZBQOSA-N 0 0 281.399 4.542 50 0 CJAARN CC[C@@H](C(=O)N(CC)c1ccccc1C)c1ccccc1 ZINC000000449990 567830635 /nfs/dbraw/zinc/83/06/35/567830635.db2.gz DZGZYNGAUZLOIG-QGZVFWFLSA-N 0 0 281.399 4.542 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000450105 567830564 /nfs/dbraw/zinc/83/05/64/567830564.db2.gz RFQXUWRDIXACGO-OAHLLOKOSA-N 0 0 281.399 4.771 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000450106 567830679 /nfs/dbraw/zinc/83/06/79/567830679.db2.gz RFQXUWRDIXACGO-HNNXBMFYSA-N 0 0 281.399 4.771 50 0 CJAARN CCC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000450144 567830582 /nfs/dbraw/zinc/83/05/82/567830582.db2.gz DXIOZKOFKFIFNK-MRVPVSSYSA-N 0 0 293.716 4.734 50 0 CJAARN CCC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000450145 567830554 /nfs/dbraw/zinc/83/05/54/567830554.db2.gz DXIOZKOFKFIFNK-QMMMGPOBSA-N 0 0 293.716 4.734 50 0 CJAARN CCOc1cccc(C(=O)Nc2ccc([C@H](C)CC)cc2)c1 ZINC000000451183 567831065 /nfs/dbraw/zinc/83/10/65/567831065.db2.gz XKNMLRYLROERPA-CQSZACIVSA-N 0 0 297.398 4.851 50 0 CJAARN CCOc1cccc(C(=O)Nc2ccc([C@@H](C)CC)cc2)c1 ZINC000000451184 567831083 /nfs/dbraw/zinc/83/10/83/567831083.db2.gz XKNMLRYLROERPA-AWEZNQCLSA-N 0 0 297.398 4.851 50 0 CJAARN Cc1ccccc1NC(=O)c1cccc(Cl)c1Cl ZINC000000452181 567830858 /nfs/dbraw/zinc/83/08/58/567830858.db2.gz ZNONJATYKGGFSV-UHFFFAOYSA-N 0 0 280.154 4.554 50 0 CJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1C ZINC000000452216 567831056 /nfs/dbraw/zinc/83/10/56/567831056.db2.gz WUBGCHRDOVNDTK-UHFFFAOYSA-N 0 0 294.181 4.863 50 0 CJAARN CC(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000452320 326792360 /nfs/dbraw/zinc/79/23/60/326792360.db2.gz FCVKLPMQEMYJCP-UHFFFAOYSA-N 0 0 296.395 4.558 50 0 CJAARN Cn1c2ccccc2nc1-c1ccc(-c2ccccc2)o1 ZINC000000452417 567830898 /nfs/dbraw/zinc/83/08/98/567830898.db2.gz GWQDXUVRSCMUCZ-UHFFFAOYSA-N 0 0 274.323 4.500 50 0 CJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000452453 256865910 /nfs/dbraw/zinc/86/59/10/256865910.db2.gz ZRTJZOOCBKJYQA-UHFFFAOYSA-N 0 0 280.154 4.554 50 0 CJAARN COc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1 ZINC000000452473 256871551 /nfs/dbraw/zinc/87/15/51/256871551.db2.gz MQHVSZLKHDSULT-UHFFFAOYSA-N 0 0 294.398 4.758 50 0 CJAARN CCc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000000452486 256871581 /nfs/dbraw/zinc/87/15/81/256871581.db2.gz STORMPXTLYBMPH-UHFFFAOYSA-N 0 0 294.181 4.808 50 0 CJAARN Cc1ccoc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000000452886 567831022 /nfs/dbraw/zinc/83/10/22/567831022.db2.gz UKGKYXWGVPAVKV-UHFFFAOYSA-N 0 0 293.322 4.633 50 0 CJAARN O=C(NC1CCCCCCC1)c1cccc2ccccc21 ZINC000000453041 567830881 /nfs/dbraw/zinc/83/08/81/567830881.db2.gz YRLYANHAZAYKGD-UHFFFAOYSA-N 0 0 281.399 4.683 50 0 CJAARN CCC(CC)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000453118 567830907 /nfs/dbraw/zinc/83/09/07/567830907.db2.gz RGQGGYMANHXAOY-UHFFFAOYSA-N 0 0 282.387 4.805 50 0 CJAARN CCC(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000453142 169644441 /nfs/dbraw/zinc/64/44/41/169644441.db2.gz GMOROBGLOHBFCE-UHFFFAOYSA-N 0 0 297.398 4.640 50 0 CJAARN Cc1ccc(-c2nc(N)sc2-c2ccccc2)cc1C 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O=C1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc2N1 ZINC000001390346 567955394 /nfs/dbraw/zinc/95/53/94/567955394.db2.gz MBAGVOSRMBZBQA-AWEZNQCLSA-N 0 0 289.787 4.516 50 0 CJAARN O=C1C[C@H](c2ccc(Cl)cc2)Sc2ccccc2N1 ZINC000001390347 567955488 /nfs/dbraw/zinc/95/54/88/567955488.db2.gz MBAGVOSRMBZBQA-CQSZACIVSA-N 0 0 289.787 4.516 50 0 CJAARN COc1ccccc1-c1cn(-c2ccc(Cl)cc2)nc1C ZINC000001390449 169699440 /nfs/dbraw/zinc/69/94/40/169699440.db2.gz CRUJPXODAUMWIX-UHFFFAOYSA-N 0 0 298.773 4.510 50 0 CJAARN Clc1ncc(CSc2ccc(Cl)cc2)s1 ZINC000001390462 169699438 /nfs/dbraw/zinc/69/94/38/169699438.db2.gz ZYCHWJABPAJPEW-UHFFFAOYSA-N 0 0 276.213 4.742 50 0 CJAARN O[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001390481 567836754 /nfs/dbraw/zinc/83/67/54/567836754.db2.gz GZQAUCBRPSENQB-BDJLRTHQSA-N 0 0 293.193 4.953 50 0 CJAARN O[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001390482 567836769 /nfs/dbraw/zinc/83/67/69/567836769.db2.gz GZQAUCBRPSENQB-BZNIZROVSA-N 0 0 293.193 4.953 50 0 CJAARN 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ZINC000001696749 567841753 /nfs/dbraw/zinc/84/17/53/567841753.db2.gz LYFPAZBMEUSVNA-ZOFHRBRSSA-N 0 0 274.448 4.700 50 0 CJAARN Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001697117 169744498 /nfs/dbraw/zinc/74/44/98/169744498.db2.gz LFKMVWXKXUDOPI-UHFFFAOYSA-N 0 0 294.276 4.658 50 0 CJAARN Cc1cc(C2(c3ccc(O)c(C)c3)CCCCC2)ccc1O ZINC000001699285 567841819 /nfs/dbraw/zinc/84/18/19/567841819.db2.gz SVOBELCYOCEECO-UHFFFAOYSA-N 0 0 296.410 4.965 50 0 CJAARN ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl ZINC000001699874 169744731 /nfs/dbraw/zinc/74/47/31/169744731.db2.gz VUNCWTMEJYMOOR-UHFFFAOYSA-N 0 0 272.773 4.552 50 0 CJAARN CCC[C@H]1c2ccccc2-c2ccc(C(C)=O)cc21 ZINC000001704051 567056216 /nfs/dbraw/zinc/05/62/16/567056216.db2.gz JSTPGHYZPMASQS-AWEZNQCLSA-N 0 0 250.341 4.802 50 0 CJAARN CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C ZINC000001706901 169746640 /nfs/dbraw/zinc/74/66/40/169746640.db2.gz KSEZPRJUTHMFGZ-UHFFFAOYSA-N 0 0 258.405 4.801 50 0 CJAARN CNc1ccc(/C=C2\C=Cc3ccccc32)cc1Cl ZINC000001708150 567842013 /nfs/dbraw/zinc/84/20/13/567842013.db2.gz RLCXYUQVZSYSGK-GXDHUFHOSA-N 0 0 267.759 4.949 50 0 CJAARN C[C@]1(Br)CC1(c1ccccc1)c1ccccc1 ZINC000001709843 567842071 /nfs/dbraw/zinc/84/20/71/567842071.db2.gz WMHVQACRCWPACS-HNNXBMFYSA-N 0 0 287.200 4.530 50 0 CJAARN O=C(c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000001709910 169747599 /nfs/dbraw/zinc/74/75/99/169747599.db2.gz GYTPBSLINYNTSG-FQEVSTJZSA-N 0 0 298.385 4.876 50 0 CJAARN OC(c1ccccc1)(c1ccccc1)C1CCCCC1 ZINC000001710990 566911830 /nfs/dbraw/zinc/91/18/30/566911830.db2.gz LRWTTZKTXXYPNP-UHFFFAOYSA-N 0 0 266.384 4.503 50 0 CJAARN CSc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001711748 567841987 /nfs/dbraw/zinc/84/19/87/567841987.db2.gz BLDWJYPPZFJELO-NTCAYCPXSA-N 0 0 250.366 4.976 50 0 CJAARN c1ccc(CSCSCc2ccccc2)cc1 ZINC000001711771 566998911 /nfs/dbraw/zinc/99/89/11/566998911.db2.gz LEABJRLNJPJMBP-UHFFFAOYSA-N 0 0 260.427 4.811 50 0 CJAARN O=C1c2ccccc2C[C@H](c2ccccc2)N1c1ccccc1 ZINC000001713122 567842367 /nfs/dbraw/zinc/84/23/67/567842367.db2.gz PSWVJTFZIDXKQE-HXUWFJFHSA-N 0 0 299.373 4.631 50 0 CJAARN CC(C)C(=O)Nc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001714015 570383639 /nfs/dbraw/zinc/38/36/39/570383639.db2.gz LPQNXCDKYBKFED-GHRIWEEISA-N 0 0 289.378 4.849 50 0 CJAARN O=C(c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1 ZINC000001715109 518202147 /nfs/dbraw/zinc/20/21/47/518202147.db2.gz SPWKVDHPFJFAAJ-LJQANCHMSA-N 0 0 287.362 4.723 50 0 CJAARN COc1ccc2[nH]c3c(cc(C)c4c3C=CC(C)(C)O4)c2c1 ZINC000001715690 169749035 /nfs/dbraw/zinc/74/90/35/169749035.db2.gz OSERHKINMDLESD-UHFFFAOYSA-N 0 0 293.366 4.822 50 0 endogenous,in-man CJAARN O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001719615 567055606 /nfs/dbraw/zinc/05/56/06/567055606.db2.gz ZNRTVHASLDGVBC-UHFFFAOYSA-N 0 0 288.346 4.633 50 0 CJAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(C)=O ZINC000001719908 566906394 /nfs/dbraw/zinc/90/63/94/566906394.db2.gz ZGIGZINMAOQWLX-NCZFFCEISA-N 0 0 264.409 4.969 50 0 CJAARN CCc1cc(-c2cc(C)c(O)c(CC)c2)cc(C)c1O ZINC000001721980 169750332 /nfs/dbraw/zinc/75/03/32/169750332.db2.gz FQTGSRYJCXLDLW-UHFFFAOYSA-N 0 0 270.372 4.506 50 0 CJAARN Brc1ccc2c(c1)Sc1ccccc1N2 ZINC000001723249 570350816 /nfs/dbraw/zinc/35/08/16/570350816.db2.gz JEWIAYIESCUSKQ-UHFFFAOYSA-N 0 0 278.174 4.657 50 0 CJAARN CCCN(CCC)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001724415 566911415 /nfs/dbraw/zinc/91/14/15/566911415.db2.gz MEVTZSLLIPCOFE-UHFFFAOYSA-N 0 0 265.400 4.884 50 0 CJAARN Brc1cc(-c2ccccc2)nc2ccccc12 ZINC000001724705 567842860 /nfs/dbraw/zinc/84/28/60/567842860.db2.gz IAKIEFRRBKQXIW-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN CC1(C)CC2(CC3(C1)SCCS3)SCCS2 ZINC000001725762 169751253 /nfs/dbraw/zinc/75/12/53/169751253.db2.gz JDXLQYOKCUAJHI-UHFFFAOYSA-N 0 0 292.560 4.549 50 0 CJAARN COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001726277 567927239 /nfs/dbraw/zinc/92/72/39/567927239.db2.gz BBABSCYTNHOKOG-UHFFFAOYSA-N 0 0 280.365 4.962 50 0 CJAARN O=C1OC(=C2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000001727395 566948542 /nfs/dbraw/zinc/94/85/42/566948542.db2.gz ITYRWIARDVUBIJ-UHFFFAOYSA-N 0 0 296.325 4.754 50 0 CJAARN c1ccc(-c2[nH]c3ccccc3c2-c2ccccn2)cc1 ZINC000001728777 567842883 /nfs/dbraw/zinc/84/28/83/567842883.db2.gz OIKSDONQUJLCOE-UHFFFAOYSA-N 0 0 270.335 4.897 50 0 CJAARN COc1cccc2c1CCC1=C2CC[C@@H]2CC(=O)CC[C@]12C ZINC000001729348 169751461 /nfs/dbraw/zinc/75/14/61/169751461.db2.gz RDCZOTDSXBPLTR-XCLFUZPHSA-N 0 0 296.410 4.564 50 0 CJAARN COc1cccc2c1CCC1=C2CC[C@@H]2CC(=O)CC[C@@]12C ZINC000001729349 169751731 /nfs/dbraw/zinc/75/17/31/169751731.db2.gz RDCZOTDSXBPLTR-ZUOKHONESA-N 0 0 296.410 4.564 50 0 CJAARN O=C(c1ccccc1Cl)c1cccc2ccccc21 ZINC000001729839 567842701 /nfs/dbraw/zinc/84/27/01/567842701.db2.gz WYBLTMAVWDQIEG-UHFFFAOYSA-N 0 0 266.727 4.724 50 0 CJAARN CCCCCOC(=O)Nc1cccc2ccccc21 ZINC000001732207 566911320 /nfs/dbraw/zinc/91/13/20/566911320.db2.gz QVVMGIQFWACMNK-UHFFFAOYSA-N 0 0 257.333 4.579 50 0 CJAARN O=C(Nc1ccccc1Cl)OC/C=C/c1ccccc1 ZINC000001738605 169753302 /nfs/dbraw/zinc/75/33/02/169753302.db2.gz KXAVOCQKQLQHKX-RMKNXTFCSA-N 0 0 287.746 4.602 50 0 CJAARN Cc1ccc(C(C)C)cc1NC(=O)/C=C/c1ccccc1 ZINC000001739745 566911480 /nfs/dbraw/zinc/91/14/80/566911480.db2.gz HQCPBJNPKRQCQJ-ZRDIBKRKSA-N 0 0 279.383 4.770 50 0 CJAARN CCCCN(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000001741002 566999899 /nfs/dbraw/zinc/99/98/99/566999899.db2.gz XYSIADNGRMHABQ-UHFFFAOYSA-N 0 0 282.387 4.521 50 0 CJAARN CC(=O)c1cc2c(cc1C)C(C)(C)C(C)(C)C2(C)C ZINC000001747564 566999422 /nfs/dbraw/zinc/99/94/22/566999422.db2.gz LAHIPXVBRIINQS-UHFFFAOYSA-N 0 0 258.405 4.793 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000001750040 567843286 /nfs/dbraw/zinc/84/32/86/567843286.db2.gz COANLRWKYJCEMX-OAHLLOKOSA-N 0 0 290.451 4.688 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000001750042 567843155 /nfs/dbraw/zinc/84/31/55/567843155.db2.gz COANLRWKYJCEMX-HNNXBMFYSA-N 0 0 290.451 4.688 50 0 CJAARN O=C(Nc1ccccc1F)Oc1ccc2ccccc2c1 ZINC000001752767 567843272 /nfs/dbraw/zinc/84/32/72/567843272.db2.gz JYFJCVDGMIZZOU-UHFFFAOYSA-N 0 0 281.286 4.590 50 0 CJAARN CC1(C)CCC(C)(C)c2cc(Br)ccc21 ZINC000001758673 567843240 /nfs/dbraw/zinc/84/32/40/567843240.db2.gz NLOOVMVNNNYLFS-UHFFFAOYSA-N 0 0 267.210 4.798 50 0 CJAARN CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 ZINC000001760380 567843016 /nfs/dbraw/zinc/84/30/16/567843016.db2.gz ZHGKQUXXASLVQQ-UHFFFAOYSA-N 0 0 294.350 4.712 50 0 in-vitro CJAARN O=C(Nc1ccccc1F)Nc1cc(Cl)ccc1Cl ZINC000001761872 566962995 /nfs/dbraw/zinc/96/29/95/566962995.db2.gz NZXVUVGLJGYXKA-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN CCCCOC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001770709 567843655 /nfs/dbraw/zinc/84/36/55/567843655.db2.gz URYDHLFQQNXRRT-UHFFFAOYSA-N 0 0 295.688 4.707 50 0 CJAARN CCCCCCNc1ncnc2sc3c(c21)CCCC3 ZINC000001776832 567843601 /nfs/dbraw/zinc/84/36/01/567843601.db2.gz ORUWHFNHRYQNHR-UHFFFAOYSA-N 0 0 289.448 4.562 50 0 CJAARN CCCCOc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000001777883 567843471 /nfs/dbraw/zinc/84/34/71/567843471.db2.gz HNZOLEWZWNKQRM-UHFFFAOYSA-N 0 0 297.398 4.735 50 0 CJAARN CCCCOc1ccccc1NC(=O)c1ccc(C)c(C)c1 ZINC000001777884 567843432 /nfs/dbraw/zinc/84/34/32/567843432.db2.gz WCHBZMWZWVPMBL-UHFFFAOYSA-N 0 0 297.398 4.735 50 0 CJAARN Cc1ccc(/N=c2\ccoc3ccc(C)cc32)c(C)c1 ZINC000001791890 230367080 /nfs/dbraw/zinc/36/70/80/230367080.db2.gz VRBYIWUOMFFHSW-HTXNQAPBSA-N 0 0 263.340 4.590 50 0 CJAARN CCCCc1ccc(NC(=O)CCc2ccc(C)o2)cc1 ZINC000001797292 169757639 /nfs/dbraw/zinc/75/76/39/169757639.db2.gz NQXFRDAIPKYARV-UHFFFAOYSA-N 0 0 285.387 4.502 50 0 CJAARN CCCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000001797536 566842738 /nfs/dbraw/zinc/84/27/38/566842738.db2.gz GPLFVIIVNMYSGO-UHFFFAOYSA-N 0 0 294.350 4.557 50 0 CJAARN O=C(c1c2ccccc2[nH]c1-c1ccccc1)C(F)(F)F ZINC000001802838 567843543 /nfs/dbraw/zinc/84/35/43/567843543.db2.gz MVLZFNWNJPQTIY-UHFFFAOYSA-N 0 0 289.256 4.580 50 0 CJAARN Cc1ccc2oc(-c3ccccc3)c/c(=N/C(C)C)c2c1 ZINC000001805841 169758266 /nfs/dbraw/zinc/75/82/66/169758266.db2.gz HVBJFXIPYRNWBO-JZJYNLBNSA-N 0 0 277.367 4.717 50 0 CJAARN CCCCc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000001807389 567843591 /nfs/dbraw/zinc/84/35/91/567843591.db2.gz KGVIOZCZYZWKGY-UHFFFAOYSA-N 0 0 259.393 4.548 50 0 CJAARN Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000001847547 567843495 /nfs/dbraw/zinc/84/34/95/567843495.db2.gz NOJRAHDRZWZNMV-UHFFFAOYSA-N 0 0 287.668 4.733 50 0 CJAARN CCCCC(=O)[C@@H](CCC)Sc1ccoc1C ZINC000001850293 567843696 /nfs/dbraw/zinc/84/36/96/567843696.db2.gz PEYZZTQOVLTVHN-CQSZACIVSA-N 0 0 254.395 4.608 50 0 endogenous,in-man CJAARN CCCCC(=O)[C@H](CCC)Sc1ccoc1C ZINC000001850294 169759788 /nfs/dbraw/zinc/75/97/88/169759788.db2.gz PEYZZTQOVLTVHN-AWEZNQCLSA-N 0 0 254.395 4.608 50 0 endogenous,in-man CJAARN CC1(C)[C@@H]2C[C@H]1C(CCOCc1ccccc1)=CC2 ZINC000001854639 567843708 /nfs/dbraw/zinc/84/37/08/567843708.db2.gz VZTCOMJNYWLOOB-IRXDYDNUSA-N 0 0 256.389 4.586 50 0 CJAARN ClC1(Cl)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000001861438 567843819 /nfs/dbraw/zinc/84/38/19/567843819.db2.gz DJDNTZDWSNETAS-KBPBESRZSA-N 0 0 263.167 4.742 50 0 CJAARN CCCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000001866388 567843834 /nfs/dbraw/zinc/84/38/34/567843834.db2.gz LDCYRVOZLRWWTD-UHFFFAOYSA-N 0 0 297.398 4.851 50 0 CJAARN c1ccc2oc(CCCCc3nc4ccccc4o3)nc2c1 ZINC000001868258 566971094 /nfs/dbraw/zinc/97/10/94/566971094.db2.gz LNGWMLBHQIUQIX-UHFFFAOYSA-N 0 0 292.338 4.534 50 0 CJAARN Clc1ccc2nc(Cl)nc(-c3ccccc3)c2c1 ZINC000001886482 570214555 /nfs/dbraw/zinc/21/45/55/570214555.db2.gz CRVSRCOECJCBAJ-UHFFFAOYSA-N 0 0 275.138 4.604 50 0 CJAARN CCCSc1ccc2nc(-c3ccccc3)cn2c1 ZINC000001888150 566970225 /nfs/dbraw/zinc/97/02/25/566970225.db2.gz JPRORRZTDQHWFS-UHFFFAOYSA-N 0 0 268.385 4.503 50 0 CJAARN CCCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000001893475 570214499 /nfs/dbraw/zinc/21/44/99/570214499.db2.gz NUNBDDCADFXNOE-UHFFFAOYSA-N 0 0 294.350 4.557 50 0 CJAARN CC(C)=CCC(C)(C)CN(C(C)=O)C1CCCCC1 ZINC000001900960 566971827 /nfs/dbraw/zinc/97/18/27/566971827.db2.gz CGXLUGPSAIWBRH-UHFFFAOYSA-N 0 0 265.441 4.550 50 0 CJAARN CCCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000001903769 570214527 /nfs/dbraw/zinc/21/45/27/570214527.db2.gz HSDBJNLLBDSYOH-UHFFFAOYSA-N 0 0 288.416 4.556 50 0 CJAARN CCCCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001909351 570214504 /nfs/dbraw/zinc/21/45/04/570214504.db2.gz NZNASHZGCBAHTO-UHFFFAOYSA-N 0 0 287.790 4.935 50 0 CJAARN CCCCc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001909354 169762863 /nfs/dbraw/zinc/76/28/63/169762863.db2.gz OXHWKBYYBGMJTQ-UHFFFAOYSA-N 0 0 287.790 4.935 50 0 CJAARN CCCCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000001909356 570214533 /nfs/dbraw/zinc/21/45/33/570214533.db2.gz YGNQYUOKNGRDQR-UHFFFAOYSA-N 0 0 287.790 4.935 50 0 CJAARN CCCCc1ccc(NC(=O)c2ccccc2C)cc1 ZINC000001909375 570214495 /nfs/dbraw/zinc/21/44/95/570214495.db2.gz GKVTWFKGBWGHBB-UHFFFAOYSA-N 0 0 267.372 4.590 50 0 CJAARN CCCCc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000001909376 570214484 /nfs/dbraw/zinc/21/44/84/570214484.db2.gz MKXHIKSYASNGGS-UHFFFAOYSA-N 0 0 267.372 4.590 50 0 CJAARN CCCCc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000001909378 570214443 /nfs/dbraw/zinc/21/44/43/570214443.db2.gz KFTCAXWXUHTNFU-UHFFFAOYSA-N 0 0 267.372 4.590 50 0 CJAARN CCCCSCC(=O)Nc1ccc(CCCC)cc1 ZINC000001910771 169762781 /nfs/dbraw/zinc/76/27/81/169762781.db2.gz VKRBFLRYJWNNRB-UHFFFAOYSA-N 0 0 279.449 4.501 50 0 CJAARN CCCSc1ncnc2sc(-c3ccccc3)cc21 ZINC000001911852 570214893 /nfs/dbraw/zinc/21/48/93/570214893.db2.gz IBHBTFOJDHKSKA-UHFFFAOYSA-N 0 0 286.425 4.860 50 0 CJAARN CCCCOc1ccccc1Nc1ncnc2ccccc21 ZINC000001912269 570214806 /nfs/dbraw/zinc/21/48/06/570214806.db2.gz QKSCITZFMJCRES-UHFFFAOYSA-N 0 0 293.370 4.552 50 0 CJAARN CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000001926967 570214903 /nfs/dbraw/zinc/21/49/03/570214903.db2.gz NLKCZKNZIAJHCS-UHFFFAOYSA-N 0 0 298.411 4.644 50 0 CJAARN CCCCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000001930492 570214974 /nfs/dbraw/zinc/21/49/74/570214974.db2.gz ASQMJTLNLZFYKP-NTEUORMPSA-N 0 0 297.373 4.820 50 0 CJAARN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000001930523 567931595 /nfs/dbraw/zinc/93/15/95/567931595.db2.gz FFDZGYGGKHDSPY-FMIVXFBMSA-N 0 0 283.346 4.601 50 0 CJAARN CC(C)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000001930525 570214863 /nfs/dbraw/zinc/21/48/63/570214863.db2.gz ZTNMILNFUSIWDQ-LFYBBSHMSA-N 0 0 283.346 4.601 50 0 CJAARN Cc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 ZINC000001934971 169763859 /nfs/dbraw/zinc/76/38/59/169763859.db2.gz GSAPBEOOZDOZOK-RMKNXTFCSA-N 0 0 299.801 4.917 50 0 CJAARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(C)cc1 ZINC000001937354 169764557 /nfs/dbraw/zinc/76/45/57/169764557.db2.gz UUKQCQULFTXZRL-OUKQBFOZSA-N 0 0 279.383 4.518 50 0 CJAARN CCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000001977924 567843913 /nfs/dbraw/zinc/84/39/13/567843913.db2.gz XCXFOCPTQQHZHA-UHFFFAOYSA-N 0 0 294.350 4.639 50 0 CJAARN CCCCOc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000001986243 567844054 /nfs/dbraw/zinc/84/40/54/567844054.db2.gz RMQSIRGBTKEJEW-BUHFOSPRSA-N 0 0 295.382 4.517 50 0 CJAARN CCOC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C ZINC000002006808 567843918 /nfs/dbraw/zinc/84/39/18/567843918.db2.gz FYQGBXGJFWXIPP-RCSINJDYSA-N 0 0 266.425 4.905 50 0 in-vitro CJAARN Cc1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002021370 567844044 /nfs/dbraw/zinc/84/40/44/567844044.db2.gz VQUIWJXQTBMPAE-UHFFFAOYSA-N 0 0 272.347 4.893 50 0 CJAARN CCCCCC1CCC(C2CCC(O)CC2)CC1 ZINC000002023184 567844243 /nfs/dbraw/zinc/84/42/43/567844243.db2.gz LGORKSSOIBSSJH-UHFFFAOYSA-N 0 0 252.442 4.924 50 0 CJAARN CC(C)(C)c1cnc2c(n1)nc(C(C)(C)C)cc2C(C)(C)C ZINC000002023773 567844179 /nfs/dbraw/zinc/84/41/79/567844179.db2.gz RZBJLYVIFAEULF-UHFFFAOYSA-N 0 0 299.462 4.917 50 0 CJAARN CCCCCOc1ccc(NC(=O)c2cccs2)cc1 ZINC000002024459 567844049 /nfs/dbraw/zinc/84/40/49/567844049.db2.gz XXVZBQRJCGAOJI-UHFFFAOYSA-N 0 0 289.400 4.569 50 0 CJAARN c1ccc(Cn2c3ccccc3c3ccccc32)cc1 ZINC000002025690 567844089 /nfs/dbraw/zinc/84/40/89/567844089.db2.gz HBAKJBGOHINNQM-UHFFFAOYSA-N 0 0 257.336 4.843 50 0 CJAARN CCCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000002025841 169769127 /nfs/dbraw/zinc/76/91/27/169769127.db2.gz OWHZZRVGGIARHM-UHFFFAOYSA-N 0 0 288.416 4.556 50 0 CJAARN Clc1ccc(-c2nc(Cl)nc3ccccc32)cc1 ZINC000002025997 169769315 /nfs/dbraw/zinc/76/93/15/169769315.db2.gz JCFXNEJIVDMGCA-UHFFFAOYSA-N 0 0 275.138 4.604 50 0 CJAARN CCCCC(=O)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000002026492 169769251 /nfs/dbraw/zinc/76/92/51/169769251.db2.gz OOTYDZODCWXARS-UHFFFAOYSA-N 0 0 268.356 4.735 50 0 CJAARN C[C@H](OP(C)(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000002029657 567844081 /nfs/dbraw/zinc/84/40/81/567844081.db2.gz XSQAITMTGIQAHD-QWRGUYRKSA-N 0 0 264.346 4.712 50 0 CJAARN C[C@@H](OP(C)(=O)O[C@H](C)C(C)(C)C)C(C)(C)C ZINC000002029661 169769407 /nfs/dbraw/zinc/76/94/07/169769407.db2.gz XSQAITMTGIQAHD-GHMZBOCLSA-N 0 0 264.346 4.712 50 0 CJAARN CCCCc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000002030493 169769756 /nfs/dbraw/zinc/76/97/56/169769756.db2.gz YMPHPJYYXBEIEH-HNNXBMFYSA-N 0 0 281.399 4.520 50 0 CJAARN CCCCc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000002030495 169769673 /nfs/dbraw/zinc/76/96/73/169769673.db2.gz YMPHPJYYXBEIEH-OAHLLOKOSA-N 0 0 281.399 4.520 50 0 CJAARN CCCCCC(=O)OC/C=C(\C)CCC=C(C)C ZINC000002030905 169769409 /nfs/dbraw/zinc/76/94/09/169769409.db2.gz ARVSCQUZFFSNKF-NTCAYCPXSA-N 0 0 252.398 4.803 50 0 CJAARN CCCCOP(=O)(OCCCC)Oc1ccccc1 ZINC000002036079 566979343 /nfs/dbraw/zinc/97/93/43/566979343.db2.gz YICSVBJRVMLQNS-UHFFFAOYSA-N 0 0 286.308 4.807 50 0 CJAARN Oc1ccc(C(c2ccc(O)cc2)=C2CCCCC2)cc1 ZINC000002037381 169770435 /nfs/dbraw/zinc/77/04/35/169770435.db2.gz POEZOFHZEJTFHF-UHFFFAOYSA-N 0 0 280.367 4.864 50 0 in-vivo CJAARN CCCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000002051808 567937577 /nfs/dbraw/zinc/93/75/77/567937577.db2.gz RRKLVHDIPAPSOL-UHFFFAOYSA-N 0 0 280.371 4.553 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1Br ZINC000002057607 567844473 /nfs/dbraw/zinc/84/44/73/567844473.db2.gz UGWJSKHHKANLGG-LLVKDONJSA-N 0 0 298.224 4.604 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1ccccc1Br ZINC000002057608 567844331 /nfs/dbraw/zinc/84/43/31/567844331.db2.gz UGWJSKHHKANLGG-NSHDSACASA-N 0 0 298.224 4.604 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1cccc(Cl)c1C ZINC000002057670 567844266 /nfs/dbraw/zinc/84/42/66/567844266.db2.gz UYEKOERUMBUINJ-GFCCVEGCSA-N 0 0 267.800 4.803 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1cccc(Cl)c1C ZINC000002057671 567844517 /nfs/dbraw/zinc/84/45/17/567844517.db2.gz UYEKOERUMBUINJ-LBPRGKRZSA-N 0 0 267.800 4.803 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002057680 567844606 /nfs/dbraw/zinc/84/46/06/567844606.db2.gz NJYNKXNHXKIELD-GFCCVEGCSA-N 0 0 267.800 4.803 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002057681 567844370 /nfs/dbraw/zinc/84/43/70/567844370.db2.gz NJYNKXNHXKIELD-LBPRGKRZSA-N 0 0 267.800 4.803 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(Br)cc1 ZINC000002057786 169773030 /nfs/dbraw/zinc/77/30/30/169773030.db2.gz JGZHYMFNFRYCKD-LLVKDONJSA-N 0 0 298.224 4.604 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1ccc(Br)cc1 ZINC000002057787 567844486 /nfs/dbraw/zinc/84/44/86/567844486.db2.gz JGZHYMFNFRYCKD-NSHDSACASA-N 0 0 298.224 4.604 50 0 CJAARN CCCCC[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002059518 567844460 /nfs/dbraw/zinc/84/44/60/567844460.db2.gz BVMCRZULMQCYHP-SNVBAGLBSA-N 0 0 288.218 4.692 50 0 CJAARN CCCCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002059519 169773370 /nfs/dbraw/zinc/77/33/70/169773370.db2.gz BVMCRZULMQCYHP-JTQLQIEISA-N 0 0 288.218 4.692 50 0 CJAARN CCCOc1ccc2nc(C)c(CCC)c(Cl)c2c1 ZINC000002059624 567844552 /nfs/dbraw/zinc/84/45/52/567844552.db2.gz QTJFUUXOGZXNED-UHFFFAOYSA-N 0 0 277.795 4.938 50 0 CJAARN CCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000002061480 567844506 /nfs/dbraw/zinc/84/45/06/567844506.db2.gz BQHQWIIIRSTNBC-UHFFFAOYSA-N 0 0 264.372 4.894 50 0 CJAARN CCCC[C@@H](CC)C(=O)Oc1ccc2ccccc2c1 ZINC000002061758 169773564 /nfs/dbraw/zinc/77/35/64/169773564.db2.gz VMIILUXKVMZUOB-CQSZACIVSA-N 0 0 270.372 4.962 50 0 CJAARN CCCC[C@H](CC)C(=O)Oc1ccc2ccccc2c1 ZINC000002061759 567844527 /nfs/dbraw/zinc/84/45/27/567844527.db2.gz VMIILUXKVMZUOB-AWEZNQCLSA-N 0 0 270.372 4.962 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1nc2c(cccc2C)s1 ZINC000002061821 567844418 /nfs/dbraw/zinc/84/44/18/567844418.db2.gz BUSSAZYDNOYLPD-GFCCVEGCSA-N 0 0 290.432 4.760 50 0 CJAARN CCCC[C@@H](CC)C(=O)Oc1ccc(O)c(C(C)(C)C)c1 ZINC000002061897 169773401 /nfs/dbraw/zinc/77/34/01/169773401.db2.gz AUQPRLDEZMUMIZ-CYBMUJFWSA-N 0 0 292.419 4.812 50 0 CJAARN CCCC[C@H](CC)C(=O)Oc1ccc(O)c(C(C)(C)C)c1 ZINC000002061898 567844512 /nfs/dbraw/zinc/84/45/12/567844512.db2.gz AUQPRLDEZMUMIZ-ZDUSSCGKSA-N 0 0 292.419 4.812 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1cc(Cl)ccc1OC ZINC000002064675 169773438 /nfs/dbraw/zinc/77/34/38/169773438.db2.gz KYBORLAAHGTGQT-LLVKDONJSA-N 0 0 283.799 4.504 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1cc(Cl)ccc1OC ZINC000002064676 567844364 /nfs/dbraw/zinc/84/43/64/567844364.db2.gz KYBORLAAHGTGQT-NSHDSACASA-N 0 0 283.799 4.504 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1cccc(SC)c1 ZINC000002069644 169773504 /nfs/dbraw/zinc/77/35/04/169773504.db2.gz SELHYDQARUWFFX-GFCCVEGCSA-N 0 0 265.422 4.563 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1cccc(SC)c1 ZINC000002069645 567844491 /nfs/dbraw/zinc/84/44/91/567844491.db2.gz SELHYDQARUWFFX-LBPRGKRZSA-N 0 0 265.422 4.563 50 0 CJAARN CC[C@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000002069709 567844498 /nfs/dbraw/zinc/84/44/98/567844498.db2.gz UTYUIYZGDGOFKM-ZDUSSCGKSA-N 0 0 294.398 4.799 50 0 CJAARN CCCCCC1CCC(c2ccc(C(N)=O)cc2)CC1 ZINC000002074789 169773980 /nfs/dbraw/zinc/77/39/80/169773980.db2.gz OYGOBEBTFIWHEP-UHFFFAOYSA-N 0 0 273.420 4.640 50 0 CJAARN c1ccc(C2=NN[C@@H](c3ccc4ccccc4c3)S2)cc1 ZINC000002076901 566847288 /nfs/dbraw/zinc/84/72/88/566847288.db2.gz SEXSSAJYVDMHMT-GOSISDBHSA-N 0 0 290.391 4.537 50 0 CJAARN c1ccc(C2=NN[C@H](c3ccc4ccccc4c3)S2)cc1 ZINC000002076902 566847635 /nfs/dbraw/zinc/84/76/35/566847635.db2.gz SEXSSAJYVDMHMT-SFHVURJKSA-N 0 0 290.391 4.537 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1c(CC)cccc1CC ZINC000002082186 567844831 /nfs/dbraw/zinc/84/48/31/567844831.db2.gz LSJBAJRXHWIHDJ-MRXNPFEDSA-N 0 0 275.436 4.966 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1c(CC)cccc1CC ZINC000002082187 169773929 /nfs/dbraw/zinc/77/39/29/169773929.db2.gz LSJBAJRXHWIHDJ-INIZCTEOSA-N 0 0 275.436 4.966 50 0 CJAARN CCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000002082197 169773945 /nfs/dbraw/zinc/77/39/45/169773945.db2.gz DQDQDCRAECKCQX-UHFFFAOYSA-N 0 0 288.416 4.637 50 0 CJAARN CCCCCC(=O)Nc1cccc(Cl)c1Cl ZINC000002083834 567844703 /nfs/dbraw/zinc/84/47/03/567844703.db2.gz DWEDMSSZJHYTFQ-UHFFFAOYSA-N 0 0 260.164 4.512 50 0 CJAARN CCCCCCC(=O)Nc1cc(Cl)ccc1C ZINC000002083912 169774286 /nfs/dbraw/zinc/77/42/86/169774286.db2.gz QUSSGDJFZLDXOX-UHFFFAOYSA-N 0 0 253.773 4.557 50 0 CJAARN CCCCCNC(=O)c1sc2cc(C)ccc2c1Cl ZINC000002084125 567844951 /nfs/dbraw/zinc/84/49/51/567844951.db2.gz PCXDHMOGSIQTFC-UHFFFAOYSA-N 0 0 295.835 4.783 50 0 CJAARN CCCCCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000002085853 169774341 /nfs/dbraw/zinc/77/43/41/169774341.db2.gz MIZVYPXSOUISFE-UHFFFAOYSA-N 0 0 288.416 4.637 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1cccc2ccccc21 ZINC000002086072 169774261 /nfs/dbraw/zinc/77/42/61/169774261.db2.gz URBBQRYCFKFMMI-CQSZACIVSA-N 0 0 269.388 4.995 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1cccc2ccccc21 ZINC000002086073 169774243 /nfs/dbraw/zinc/77/42/43/169774243.db2.gz URBBQRYCFKFMMI-AWEZNQCLSA-N 0 0 269.388 4.995 50 0 CJAARN CCCCCCC(=O)Nc1c(CC)cccc1CC ZINC000002086256 567844948 /nfs/dbraw/zinc/84/49/48/567844948.db2.gz MHBPTIDDOJZTFY-UHFFFAOYSA-N 0 0 261.409 4.720 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000002086439 566847554 /nfs/dbraw/zinc/84/75/54/566847554.db2.gz JZFXKSQJRNXSJI-GFCCVEGCSA-N 0 0 290.432 4.760 50 0 CJAARN CCCC[C@H](CC)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000002086440 566846474 /nfs/dbraw/zinc/84/64/74/566846474.db2.gz JZFXKSQJRNXSJI-LBPRGKRZSA-N 0 0 290.432 4.760 50 0 CJAARN CCCCCn1c(COc2ccccc2)nc2ccccc21 ZINC000002087843 567844946 /nfs/dbraw/zinc/84/49/46/567844946.db2.gz GARGJJFERCWHDJ-UHFFFAOYSA-N 0 0 294.398 4.806 50 0 CJAARN CC(C)=CCC[C@H](C)N(C=O)[C@@H](C)CCC=C(C)C ZINC000002090268 567042176 /nfs/dbraw/zinc/04/21/76/567042176.db2.gz DPLSPVPSCNGGTJ-IRXDYDNUSA-N 0 0 265.441 4.715 50 0 CJAARN CC(C)=CCC[C@@H](C)N(C=O)[C@H](C)CCC=C(C)C ZINC000002090273 169774349 /nfs/dbraw/zinc/77/43/49/169774349.db2.gz DPLSPVPSCNGGTJ-IAGOWNOFSA-N 0 0 265.441 4.715 50 0 CJAARN CCCCC[C@H]1C[C@@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002105811 169774915 /nfs/dbraw/zinc/77/49/15/169774915.db2.gz YHITZUVJCAGACW-GJZGRUSLSA-N 0 0 299.414 4.531 50 0 CJAARN CCCCC[C@@H]1C[C@@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002105813 567044465 /nfs/dbraw/zinc/04/44/65/567044465.db2.gz YHITZUVJCAGACW-LSDHHAIUSA-N 0 0 299.414 4.531 50 0 CJAARN CCCCC[C@H]1C[C@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002105814 567044259 /nfs/dbraw/zinc/04/42/59/567044259.db2.gz YHITZUVJCAGACW-CABCVRRESA-N 0 0 299.414 4.531 50 0 CJAARN CCCCC[C@@H]1C[C@H](Cc2c(C)[nH]c3ccccc32)C(=O)O1 ZINC000002105816 169774916 /nfs/dbraw/zinc/77/49/16/169774916.db2.gz YHITZUVJCAGACW-HUUCEWRRSA-N 0 0 299.414 4.531 50 0 CJAARN CCCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000002106340 567844691 /nfs/dbraw/zinc/84/46/91/567844691.db2.gz KKBXPHYDSIKSMT-UHFFFAOYSA-N 0 0 298.455 4.958 50 0 CJAARN CCCCc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000002106770 169774747 /nfs/dbraw/zinc/77/47/47/169774747.db2.gz DFSCUWNOECGJAN-UHFFFAOYSA-N 0 0 284.428 4.838 50 0 CJAARN CCO[C@@H](CC)n1c2ccccc2c2ccccc21 ZINC000002109621 169775009 /nfs/dbraw/zinc/77/50/09/169775009.db2.gz CAZNEUXKDFXASB-KRWDZBQOSA-N 0 0 253.345 4.740 50 0 CJAARN CC(C)O[C@@H](C)n1c2ccccc2c2ccccc21 ZINC000002111285 567046855 /nfs/dbraw/zinc/04/68/55/567046855.db2.gz BJOSAKMOMALCOH-ZDUSSCGKSA-N 0 0 253.345 4.738 50 0 CJAARN CC(C)O[C@H](C)n1c2ccccc2c2ccccc21 ZINC000002111286 169774849 /nfs/dbraw/zinc/77/48/49/169774849.db2.gz BJOSAKMOMALCOH-CYBMUJFWSA-N 0 0 253.345 4.738 50 0 CJAARN CCC[C@@H](OC)n1c2ccccc2c2ccccc21 ZINC000002111536 567043796 /nfs/dbraw/zinc/04/37/96/567043796.db2.gz LAOKWWGTXXWFAR-QGZVFWFLSA-N 0 0 253.345 4.740 50 0 CJAARN CCO[C@@H](C(C)C)n1c2ccccc2c2ccccc21 ZINC000002112211 169774635 /nfs/dbraw/zinc/77/46/35/169774635.db2.gz OVZMBLYJVZYIPO-SFHVURJKSA-N 0 0 267.372 4.986 50 0 CJAARN CCO[C@H](C(C)C)n1c2ccccc2c2ccccc21 ZINC000002112212 567844955 /nfs/dbraw/zinc/84/49/55/567844955.db2.gz OVZMBLYJVZYIPO-GOSISDBHSA-N 0 0 267.372 4.986 50 0 CJAARN CCCC[C@@H](CC)C(=O)Nc1ccc2ccccc2c1 ZINC000002114446 567844935 /nfs/dbraw/zinc/84/49/35/567844935.db2.gz PJTOXMLANHZIJR-CQSZACIVSA-N 0 0 269.388 4.995 50 0 CJAARN CCCCc1cc(=O)oc2c(C)c3oc(C)c(C)c3cc12 ZINC000002119223 566975490 /nfs/dbraw/zinc/97/54/90/566975490.db2.gz WVCZKSMYDUWBSV-UHFFFAOYSA-N 0 0 284.355 4.807 50 0 CJAARN CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002122029 567844883 /nfs/dbraw/zinc/84/48/83/567844883.db2.gz ASHJGGWCMKQVDX-UHFFFAOYSA-N 0 0 289.762 4.871 50 0 CJAARN CCCCOc1cccc(C(=O)Nc2cc(C)ccc2C)c1 ZINC000002122361 169775585 /nfs/dbraw/zinc/77/55/85/169775585.db2.gz FKWYARSGIITOPK-UHFFFAOYSA-N 0 0 297.398 4.735 50 0 CJAARN O=c1cc(-c2cc3ccccc3o2)c2cc(Cl)ccc2o1 ZINC000002129215 169775862 /nfs/dbraw/zinc/77/58/62/169775862.db2.gz NIIRJDKGZXNHKH-UHFFFAOYSA-N 0 0 296.709 4.860 50 0 CJAARN CCCCOc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002132876 169775720 /nfs/dbraw/zinc/77/57/20/169775720.db2.gz XAVPECKRPUEKLS-UHFFFAOYSA-N 0 0 294.350 4.639 50 0 CJAARN CCC[C@H]1CCC[N@@H+]2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000002132967 566847497 /nfs/dbraw/zinc/84/74/97/566847497.db2.gz HFTKZFPMMURMOX-MGPUTAFESA-N 0 0 296.458 4.841 50 0 CJAARN Cc1cccc(NC(=O)Oc2cccc(C(F)(F)F)c2)c1 ZINC000002141068 566912575 /nfs/dbraw/zinc/91/25/75/566912575.db2.gz PYIUQEZRGOCACI-UHFFFAOYSA-N 0 0 295.260 4.625 50 0 CJAARN CCCSC(=O)Nc1c(Cl)cccc1Cl ZINC000002142500 169776156 /nfs/dbraw/zinc/77/61/56/169776156.db2.gz KPULLICZEVASCG-UHFFFAOYSA-N 0 0 264.177 4.669 50 0 CJAARN CCCCSC(=O)Nc1ccc(Br)cc1 ZINC000002147079 169776575 /nfs/dbraw/zinc/77/65/75/169776575.db2.gz MCKZAWBTDZWSBX-UHFFFAOYSA-N 0 0 288.210 4.514 50 0 CJAARN FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1 ZINC000002149531 567844793 /nfs/dbraw/zinc/84/47/93/567844793.db2.gz ZSQOESPYYNJBCZ-UHFFFAOYSA-N 0 0 299.601 4.926 50 0 CJAARN CCCCSCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000002150937 567844840 /nfs/dbraw/zinc/84/48/40/567844840.db2.gz LSCIGTOHYLYYAK-UHFFFAOYSA-N 0 0 296.435 4.974 50 0 CJAARN CCCCCc1ccc2c(c1)Cc1cc(O)ccc1-2 ZINC000002159192 567844919 /nfs/dbraw/zinc/84/49/19/567844919.db2.gz KVLMFEDZEZXVBC-UHFFFAOYSA-N 0 0 252.357 4.696 50 0 CJAARN CCCCC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000002159209 567061313 /nfs/dbraw/zinc/06/13/13/567061313.db2.gz LSNDJNGRTBJGMQ-UHFFFAOYSA-N 0 0 250.341 4.631 50 0 CJAARN O=C(c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000002160321 567045054 /nfs/dbraw/zinc/04/50/54/567045054.db2.gz QXFPKUXYJBPTCA-UHFFFAOYSA-N 0 0 287.362 4.534 50 0 CJAARN Cc1ccc(C(=O)CSC(=S)SC(C)(C)C)cc1 ZINC000002161314 567844933 /nfs/dbraw/zinc/84/49/33/567844933.db2.gz CTOFRNVQVCSZGV-UHFFFAOYSA-N 0 0 298.498 4.728 50 0 CJAARN CCCCN(CCCC)C(=O)Nc1ccccc1Cl ZINC000002161691 169777557 /nfs/dbraw/zinc/77/75/57/169777557.db2.gz 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50 0 CJAARN Cc1ccc(CC(C)(C)[C@@H](O)c2ccc(C)cc2)cc1 ZINC000002165372 566912097 /nfs/dbraw/zinc/91/20/97/566912097.db2.gz OYUZCRHIZNDLCK-SFHVURJKSA-N 0 0 268.400 4.606 50 0 CJAARN CCCCc1ccc(NC(=O)Nc2cccc(C)c2)cc1 ZINC000002165461 567056910 /nfs/dbraw/zinc/05/69/10/567056910.db2.gz BCHPJLYCPLSUDR-UHFFFAOYSA-N 0 0 282.387 4.982 50 0 CJAARN CCCCc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000002165463 567844836 /nfs/dbraw/zinc/84/48/36/567844836.db2.gz VUMLDNFKXBLXOD-UHFFFAOYSA-N 0 0 282.387 4.982 50 0 CJAARN COc1cc2ccccc2cc1[C@@H](O)/C=C/c1ccccc1 ZINC000002165647 566911550 /nfs/dbraw/zinc/91/15/50/566911550.db2.gz ORNPMPXJDAELKS-CVTTXWKISA-N 0 0 290.362 4.595 50 0 CJAARN CCCCSC(=O)Nc1c(C)cccc1CC ZINC000002166607 567844778 /nfs/dbraw/zinc/84/47/78/567844778.db2.gz ALNLUKIJOCBJJU-UHFFFAOYSA-N 0 0 251.395 4.623 50 0 CJAARN Cc1cc(C)c(C(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000002166860 567844939 /nfs/dbraw/zinc/84/49/39/567844939.db2.gz SKMUIZHHMAPKIV-UHFFFAOYSA-N 0 0 266.384 4.768 50 0 CJAARN 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O=C(c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000004290121 567856760 /nfs/dbraw/zinc/85/67/60/567856760.db2.gz UGTVFNDTQOCKNT-UHFFFAOYSA-N 0 0 285.557 4.878 50 0 CJAARN O=C(c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004290123 567856675 /nfs/dbraw/zinc/85/66/75/567856675.db2.gz WGEYEANIOWFMGC-UHFFFAOYSA-N 0 0 285.557 4.878 50 0 CJAARN O=C(c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 ZINC000004290124 169953448 /nfs/dbraw/zinc/95/34/48/169953448.db2.gz BJPFNIYUGJARNB-UHFFFAOYSA-N 0 0 285.557 4.878 50 0 CJAARN O=Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000004299106 567856669 /nfs/dbraw/zinc/85/66/69/567856669.db2.gz PKBKQHLGBVNWQD-UHFFFAOYSA-N 0 0 275.518 4.719 50 0 CJAARN Oc1cccc2ccc(/C=C/c3c(F)cccc3Cl)nc12 ZINC000004303433 567856545 /nfs/dbraw/zinc/85/65/45/567856545.db2.gz HTZQBTSTUKBGDD-MDZDMXLPSA-N 0 0 299.732 4.903 50 0 CJAARN Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000004306846 169955970 /nfs/dbraw/zinc/95/59/70/169955970.db2.gz VTLCTTGVROTXOJ-UHFFFAOYSA-N 0 0 286.787 4.713 50 0 CJAARN CC1=NC(c2ccccc2)(c2ccccc2)c2ccccc2N1 ZINC000004314777 567194292 /nfs/dbraw/zinc/19/42/92/567194292.db2.gz YJZHQSANMCJMBE-UHFFFAOYSA-N 0 0 298.389 4.632 50 0 CJAARN Clc1cccc(CSCc2nc3ccccc3[nH]2)c1 ZINC000004317687 567194491 /nfs/dbraw/zinc/19/44/91/567194491.db2.gz MFSNUETVIRAZOT-UHFFFAOYSA-N 0 0 288.803 4.650 50 0 CJAARN Clc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1 ZINC000004322627 567856556 /nfs/dbraw/zinc/85/65/56/567856556.db2.gz ZTYJWJSCNAKNRI-IZZDOVSWSA-N 0 0 282.730 4.560 50 0 CJAARN Fc1cccc(Cl)c1/C=C/c1cnc2ccccc2n1 ZINC000004323403 567856958 /nfs/dbraw/zinc/85/69/58/567856958.db2.gz CXHPHRDFVBQLLC-CMDGGOBGSA-N 0 0 284.721 4.593 50 0 CJAARN Cc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000004323697 567857147 /nfs/dbraw/zinc/85/71/47/567857147.db2.gz UVBAHYOEAQYSPX-UHFFFAOYSA-N 0 0 270.715 4.626 50 0 CJAARN Cc1nc2ccccc2n1CCCCOc1ccc(C)cc1 ZINC000004331270 567862016 /nfs/dbraw/zinc/86/20/16/567862016.db2.gz JDCISMHSZLBMDH-UHFFFAOYSA-N 0 0 294.398 4.512 50 0 CJAARN Cc1sc2ncnc(Nc3cc(C)ccc3C)c2c1C ZINC000004331358 169958362 /nfs/dbraw/zinc/95/83/62/169958362.db2.gz OQUICSQFVLTFBD-UHFFFAOYSA-N 0 0 283.400 4.669 50 0 CJAARN c1ccc(CSC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004336543 567857043 /nfs/dbraw/zinc/85/70/43/567857043.db2.gz UXXXUQKJYRQGHD-UHFFFAOYSA-N 0 0 258.430 4.889 50 0 CJAARN CC(=O)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000004342694 169960303 /nfs/dbraw/zinc/96/03/03/169960303.db2.gz XHGPJYNGYBQSNX-UHFFFAOYSA-N 0 0 276.335 4.621 50 0 CJAARN Clc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000004347989 567857054 /nfs/dbraw/zinc/85/70/54/567857054.db2.gz YTVIGZGBMRHPFK-UHFFFAOYSA-N 0 0 287.775 4.602 50 0 CJAARN CC(C)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000004348274 567863642 /nfs/dbraw/zinc/86/36/42/567863642.db2.gz BDNXYQCZCHAMEW-UHFFFAOYSA-N 0 0 296.395 4.672 50 0 CJAARN CC(=O)c1sc(SC(C)C)c2c1CC(C)(C)CC2=O ZINC000004349589 567857097 /nfs/dbraw/zinc/85/70/97/567857097.db2.gz TWGNRYXCQAXHQC-UHFFFAOYSA-N 0 0 296.457 4.606 50 0 CJAARN C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 ZINC000004352598 543653786 /nfs/dbraw/zinc/65/37/86/543653786.db2.gz KRVXMNNRSSQZJP-PHFHYRSDSA-N 0 0 274.448 4.556 50 0 endogenous,in-man CJAARN C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2 ZINC000004352602 169961000 /nfs/dbraw/zinc/96/10/00/169961000.db2.gz HFVMLYAGWXSTQI-QYXZOKGRSA-N 0 0 272.432 4.764 50 0 endogenous,in-man CJAARN COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004352933 567857005 /nfs/dbraw/zinc/85/70/05/567857005.db2.gz IRMNIXXVOOMKKP-UHFFFAOYSA-N 0 0 274.363 4.625 50 0 in-vitro CJAARN Fc1cccc(CSc2ccc(-c3ccccc3)nn2)c1 ZINC000004355325 567863815 /nfs/dbraw/zinc/86/38/15/567863815.db2.gz BCERRFUKHTVGOS-UHFFFAOYSA-N 0 0 296.370 4.575 50 0 CJAARN Fc1ccccc1CSc1ccc(-c2ccccc2)nn1 ZINC000004355329 169961700 /nfs/dbraw/zinc/96/17/00/169961700.db2.gz YMMQBHWITNJRIY-UHFFFAOYSA-N 0 0 296.370 4.575 50 0 CJAARN Fc1ccc(CSc2ccc(-c3ccccc3)nn2)cc1 ZINC000004355333 567864007 /nfs/dbraw/zinc/86/40/07/567864007.db2.gz YQEOTXZRLRAQBB-UHFFFAOYSA-N 0 0 296.370 4.575 50 0 CJAARN Cc1ccc(-c2ccc(SCc3ccccc3)nn2)cc1 ZINC000004356002 567863797 /nfs/dbraw/zinc/86/37/97/567863797.db2.gz YAEFQDAZUPOWGT-UHFFFAOYSA-N 0 0 292.407 4.744 50 0 CJAARN Fc1ccc(-c2ccc(SCc3ccccc3)nn2)cc1 ZINC000004356355 567864112 /nfs/dbraw/zinc/86/41/12/567864112.db2.gz FKOZAKBUEWVXFM-UHFFFAOYSA-N 0 0 296.370 4.575 50 0 CJAARN C[C@]1(Cl)C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000004360989 567863873 /nfs/dbraw/zinc/86/38/73/567863873.db2.gz QRBQQPHYLRNNPH-JQHSSLGASA-N 0 0 284.786 4.524 50 0 CJAARN C[C@]1(Cl)C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000004360994 567863980 /nfs/dbraw/zinc/86/39/80/567863980.db2.gz QRBQQPHYLRNNPH-SZMVWBNQSA-N 0 0 284.786 4.524 50 0 CJAARN Clc1ccc(/C=C\c2ccccn2)c(Cl)c1 ZINC000004365390 567863881 /nfs/dbraw/zinc/86/38/81/567863881.db2.gz RKOSAWWBEHBDKH-ALCCZGGFSA-N 0 0 250.128 4.559 50 0 CJAARN CSc1nccc(/C=C/c2sc3ccccc3c2C)n1 ZINC000004365905 567856903 /nfs/dbraw/zinc/85/69/03/567856903.db2.gz CIBJMKHLVCESKQ-BQYQJAHWSA-N 0 0 298.436 4.892 50 0 CJAARN C[C@]12CC[C@@H]3[C@@H]4CCCC=C4CC[C@@H]3[C@@H]1CCC2=O ZINC000004369704 567856871 /nfs/dbraw/zinc/85/68/71/567856871.db2.gz OLYAEHZZXXLNQQ-LFRCEIEQSA-N 0 0 258.405 4.518 50 0 CJAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1C1CC1 ZINC000004385588 567857542 /nfs/dbraw/zinc/85/75/42/567857542.db2.gz OQLNHWJAKCKXBD-ZDUSSCGKSA-N 0 0 262.356 4.523 50 0 CJAARN C[C@H](c1ccccc1)n1c2ccccc2nc1C1CC1 ZINC000004385589 567857516 /nfs/dbraw/zinc/85/75/16/567857516.db2.gz OQLNHWJAKCKXBD-CYBMUJFWSA-N 0 0 262.356 4.523 50 0 CJAARN Cc1ccc(C)n1CCSCc1c(C)cc(C)cc1C ZINC000004390627 169964788 /nfs/dbraw/zinc/96/47/88/169964788.db2.gz HQIIHUQLFOYTMT-UHFFFAOYSA-N 0 0 287.472 4.964 50 0 CJAARN c1ccc(COc2ccc(C3SCCS3)cc2)cc1 ZINC000004393210 567857422 /nfs/dbraw/zinc/85/74/22/567857422.db2.gz HORLQPCIJLDSJO-UHFFFAOYSA-N 0 0 288.437 4.744 50 0 CJAARN Cc1cc(CSc2cc(C)c(Cl)cc2Cl)no1 ZINC000004394385 567857536 /nfs/dbraw/zinc/85/75/36/567857536.db2.gz UIXFSCGOJUCOQG-UHFFFAOYSA-N 0 0 288.199 4.891 50 0 CJAARN O=C(Oc1cccc2ccccc21)[C@H]1C[C@H]1c1ccccc1 ZINC000004402183 169965396 /nfs/dbraw/zinc/96/53/96/169965396.db2.gz VRUORLQBOHOEIZ-ROUUACIJSA-N 0 0 288.346 4.549 50 0 CJAARN O=C(Oc1cccc2ccccc21)[C@H]1C[C@@H]1c1ccccc1 ZINC000004402184 169965239 /nfs/dbraw/zinc/96/52/39/169965239.db2.gz VRUORLQBOHOEIZ-MSOLQXFVSA-N 0 0 288.346 4.549 50 0 CJAARN O=C(Oc1cccc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000004402185 169965182 /nfs/dbraw/zinc/96/51/82/169965182.db2.gz VRUORLQBOHOEIZ-ZWKOTPCHSA-N 0 0 288.346 4.549 50 0 CJAARN O=C(Oc1cccc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1 ZINC000004402186 169965220 /nfs/dbraw/zinc/96/52/20/169965220.db2.gz VRUORLQBOHOEIZ-QZTJIDSGSA-N 0 0 288.346 4.549 50 0 CJAARN Clc1ccc2[nH]c(SCc3ccccc3)nc2c1 ZINC000004406897 567857391 /nfs/dbraw/zinc/85/73/91/567857391.db2.gz XCNFPBJWQCGQNZ-UHFFFAOYSA-N 0 0 274.776 4.509 50 0 CJAARN Cc1cccc(CSc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000004407038 567857232 /nfs/dbraw/zinc/85/72/32/567857232.db2.gz MIIZGILJZSRYRK-UHFFFAOYSA-N 0 0 288.803 4.817 50 0 CJAARN O=C1C[C@H](c2cccs2)CC2=Nc3ccccc3N=CC12 ZINC000004413858 567865425 /nfs/dbraw/zinc/86/54/25/567865425.db2.gz ORZFLYMULZTBHX-LLVKDONJSA-N 0 0 294.379 4.926 50 0 CJAARN O=C1C[C@@H](c2cccs2)CC2=Nc3ccccc3N=CC12 ZINC000004413862 169966504 /nfs/dbraw/zinc/96/65/04/169966504.db2.gz ORZFLYMULZTBHX-NSHDSACASA-N 0 0 294.379 4.926 50 0 CJAARN Cc1ccc2c(c1)C(=O)c1cnc(/C=C/c3ccccc3)cc1-2 ZINC000004416022 567865415 /nfs/dbraw/zinc/86/54/15/567865415.db2.gz MFHPSWFRLMLUOB-CMDGGOBGSA-N 0 0 297.357 4.772 50 0 CJAARN CC(=O)c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000004416324 169967277 /nfs/dbraw/zinc/96/72/77/169967277.db2.gz SWVBMNQANZQMER-UHFFFAOYSA-N 0 0 296.369 4.876 50 0 CJAARN C[C@H](O)c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000004416326 169967172 /nfs/dbraw/zinc/96/71/72/169967172.db2.gz KTYHCAMOPWJFPI-MFBUALDNSA-N 0 0 298.385 4.727 50 0 CJAARN C[C@@H](O)c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000004416327 567857425 /nfs/dbraw/zinc/85/74/25/567857425.db2.gz KTYHCAMOPWJFPI-ZOEHTXHGSA-N 0 0 298.385 4.727 50 0 CJAARN Cc1[nH]nc2c1[C@@H](c1ccccc1)CC(c1ccccc1)=C2 ZINC000004457904 567867512 /nfs/dbraw/zinc/86/75/12/567867512.db2.gz ZUSIICUPKNHFQY-GOSISDBHSA-N 0 0 286.378 4.794 50 0 CJAARN Cc1[nH]nc2c1[C@H](c1ccccc1)CC(c1ccccc1)=C2 ZINC000004457905 567867610 /nfs/dbraw/zinc/86/76/10/567867610.db2.gz ZUSIICUPKNHFQY-SFHVURJKSA-N 0 0 286.378 4.794 50 0 CJAARN Cc1ccc([S@@](=O)/C(F)=C\c2ccccc2Cl)cc1 ZINC000004466955 567857865 /nfs/dbraw/zinc/85/78/65/567857865.db2.gz KOMISOVCQVDYIA-XZGNNNQISA-N 0 0 294.778 4.724 50 0 CJAARN Cc1cc(C)cc(OCCCOc2cc(C)cc(C)c2)c1 ZINC000004472842 567857900 /nfs/dbraw/zinc/85/79/00/567857900.db2.gz XPCIGGJOVIBQOV-UHFFFAOYSA-N 0 0 284.399 4.768 50 0 CJAARN CCOc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000004488537 567857591 /nfs/dbraw/zinc/85/75/91/567857591.db2.gz CEFHJFXCRGCSRF-UHFFFAOYSA-N 0 0 297.423 4.590 50 0 CJAARN c1c(CSc2ccc3ccccc3c2)nc2ccccn12 ZINC000004492160 570223052 /nfs/dbraw/zinc/22/30/52/570223052.db2.gz YERGBZIWFWKBGY-UHFFFAOYSA-N 0 0 290.391 4.780 50 0 CJAARN O=C(CSc1ccccc1)Nc1ccc2sccc2c1 ZINC000004496651 570223073 /nfs/dbraw/zinc/22/30/73/570223073.db2.gz PARHYIRRSLXXAP-UHFFFAOYSA-N 0 0 299.420 4.632 50 0 CJAARN CCc1ccc(OC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000004503090 169974504 /nfs/dbraw/zinc/97/45/04/169974504.db2.gz IRUVUAQQNUOCOE-UHFFFAOYSA-N 0 0 295.165 4.775 50 0 CJAARN CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004516624 566910248 /nfs/dbraw/zinc/91/02/48/566910248.db2.gz PFUQBWRZKDFUHL-UHFFFAOYSA-N 0 0 267.353 4.731 50 0 CJAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2 ZINC000004516854 169975988 /nfs/dbraw/zinc/97/59/88/169975988.db2.gz QYWZUJQAUNKMIP-ZLIFDBKOSA-N 0 0 285.412 4.555 50 0 CJAARN CSc1ccccc1C(=O)Nc1ccc2sccc2c1 ZINC000004517411 567868892 /nfs/dbraw/zinc/86/88/92/567868892.db2.gz RDPZXKGKRXFTRD-UHFFFAOYSA-N 0 0 299.420 4.876 50 0 CJAARN CSc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000004517526 567868724 /nfs/dbraw/zinc/86/87/24/567868724.db2.gz JFJICQWGJRQTSC-UHFFFAOYSA-N 0 0 293.391 4.814 50 0 CJAARN CO[C@@H](C(C)C)n1c2ccccc2c2ccccc21 ZINC000004530191 567857867 /nfs/dbraw/zinc/85/78/67/567857867.db2.gz GCOALRFJQFAMQG-KRWDZBQOSA-N 0 0 253.345 4.596 50 0 CJAARN CO[C@H](C(C)C)n1c2ccccc2c2ccccc21 ZINC000004530192 567857863 /nfs/dbraw/zinc/85/78/63/567857863.db2.gz GCOALRFJQFAMQG-QGZVFWFLSA-N 0 0 253.345 4.596 50 0 CJAARN CP(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000004530655 169978898 /nfs/dbraw/zinc/97/88/98/169978898.db2.gz KPMBMOYJKTUEAD-UHFFFAOYSA-N 0 0 298.748 4.635 50 0 CJAARN CCc1cc2c(cc1COC(C)=O)C(C)(C)CCC2(C)C ZINC000004530931 566910325 /nfs/dbraw/zinc/91/03/25/566910325.db2.gz QVHSZFPTIRAMNM-UHFFFAOYSA-N 0 0 288.431 4.661 50 0 CJAARN CC1(CCC2SCCCS2)SCCCS1 ZINC000004533302 570332120 /nfs/dbraw/zinc/33/21/20/570332120.db2.gz FKSCPQKEKRVWRD-UHFFFAOYSA-N 0 0 280.549 4.549 50 0 CJAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C=CCC[C@]43C)[C@H]1CCC2=O ZINC000004533784 567858273 /nfs/dbraw/zinc/85/82/73/567858273.db2.gz NINLAYUXSUKKHW-BQUOXIOCSA-N 0 0 270.416 4.684 50 0 CJAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1 ZINC000004538903 567858264 /nfs/dbraw/zinc/85/82/64/567858264.db2.gz ZJADBGREJCGGKU-UHFFFAOYSA-N 0 0 293.347 4.900 50 0 CJAARN CC(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000004538918 570224539 /nfs/dbraw/zinc/22/45/39/570224539.db2.gz ZQFPAGTZYNFHDQ-UHFFFAOYSA-N 0 0 267.328 4.571 50 0 CJAARN Cc1ccc(-c2cc(C)c(-c3ccc(C)cc3)nn2)cc1 ZINC000004539319 567858189 /nfs/dbraw/zinc/85/81/89/567858189.db2.gz PKDVAQPELIEALS-UHFFFAOYSA-N 0 0 274.367 4.736 50 0 CJAARN Cc1coc2c1cc1c(C)c(C(C)C)c(=O)oc1c2C ZINC000004540408 570224601 /nfs/dbraw/zinc/22/46/01/570224601.db2.gz ADPDMXPRRYZJEP-UHFFFAOYSA-N 0 0 270.328 4.588 50 0 CJAARN Cc1coc2cc3oc(=O)c(-c4ccc(F)cc4)cc3cc12 ZINC000004540414 169981020 /nfs/dbraw/zinc/98/10/20/169981020.db2.gz UXSMUMBUWDSWHG-UHFFFAOYSA-N 0 0 294.281 4.654 50 0 CJAARN CC(C)Nc1cc(-c2cccs2)nc2ccccc21 ZINC000004541747 566909079 /nfs/dbraw/zinc/90/90/79/566909079.db2.gz LISJKPGIWLJFEX-UHFFFAOYSA-N 0 0 268.385 4.784 50 0 CJAARN CCc1cccc(CC)c1NC(=O)CCc1cccc(F)c1 ZINC000004541926 566908929 /nfs/dbraw/zinc/90/89/29/566908929.db2.gz YPFHRAKZGOUACP-UHFFFAOYSA-N 0 0 299.389 4.522 50 0 CJAARN CCCCc1ccc(NC(=O)CCc2cccc(F)c2)cc1 ZINC000004541928 566910113 /nfs/dbraw/zinc/91/01/13/566910113.db2.gz KGNWYYKTZKDBIJ-UHFFFAOYSA-N 0 0 299.389 4.740 50 0 CJAARN CCN(C(=O)Nc1cccc(Cl)c1)c1cccc(C)c1 ZINC000004542296 566909508 /nfs/dbraw/zinc/90/95/08/566909508.db2.gz XFADUBMVLWNNRL-UHFFFAOYSA-N 0 0 288.778 4.707 50 0 CJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000004542361 566986391 /nfs/dbraw/zinc/98/63/91/566986391.db2.gz CEYVGMLASNTIEL-UHFFFAOYSA-N 0 0 288.778 4.909 50 0 CJAARN CCN(C(=O)Nc1ccc(C)c(Cl)c1)C1CCCCC1 ZINC000004542366 566909749 /nfs/dbraw/zinc/90/97/49/566909749.db2.gz OYROPLRBQAKLTA-UHFFFAOYSA-N 0 0 294.826 4.835 50 0 CJAARN CCN(CC)c1cc(-c2cccs2)nc2ccccc21 ZINC000004542567 566910069 /nfs/dbraw/zinc/91/00/69/566910069.db2.gz KUBIMBCROCEIHY-UHFFFAOYSA-N 0 0 282.412 4.810 50 0 CJAARN CCCCc1ccc(NC(=O)c2sccc2Cl)cc1 ZINC000004542629 566911238 /nfs/dbraw/zinc/91/12/38/566911238.db2.gz JGCOCAQZAPTAOP-UHFFFAOYSA-N 0 0 293.819 4.996 50 0 CJAARN CCc1cccc(C)c1NC(=O)c1sccc1Cl ZINC000004542630 566911146 /nfs/dbraw/zinc/91/11/46/566911146.db2.gz RVNKVMAYYRTNSF-UHFFFAOYSA-N 0 0 279.792 4.525 50 0 CJAARN CC[C@@H]1CCCCN1C(=O)Nc1cccc2ccccc21 ZINC000004543102 566986537 /nfs/dbraw/zinc/98/65/37/566986537.db2.gz YXGNVHDKWAZKSI-OAHLLOKOSA-N 0 0 282.387 4.636 50 0 CJAARN CC[C@H]1CCCCN1C(=O)Nc1cccc2ccccc21 ZINC000004543103 566986100 /nfs/dbraw/zinc/98/61/00/566986100.db2.gz YXGNVHDKWAZKSI-HNNXBMFYSA-N 0 0 282.387 4.636 50 0 CJAARN CCCCCC[C@H](NC=O)c1ccc(Cl)cc1Cl ZINC000004548410 169982248 /nfs/dbraw/zinc/98/22/48/169982248.db2.gz FAXNQZVFMQCEBO-AWEZNQCLSA-N 0 0 288.218 4.751 50 0 CJAARN CCCCCC[C@@H](NC=O)c1ccc(Cl)cc1Cl ZINC000004548412 567869509 /nfs/dbraw/zinc/86/95/09/567869509.db2.gz FAXNQZVFMQCEBO-CQSZACIVSA-N 0 0 288.218 4.751 50 0 CJAARN C/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000004549469 567858177 /nfs/dbraw/zinc/85/81/77/567858177.db2.gz HKCKABNQTVHCPU-PKNBQFBNSA-N 0 0 289.737 4.521 50 0 CJAARN CC(C)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004550679 567019745 /nfs/dbraw/zinc/01/97/45/567019745.db2.gz CYARSLSGRBCOHY-UHFFFAOYSA-N 0 0 297.442 4.965 50 0 CJAARN Cc1ccc(C)c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000004551551 567869922 /nfs/dbraw/zinc/86/99/22/567869922.db2.gz MGYYNEFLXCFMOU-UHFFFAOYSA-N 0 0 273.763 4.518 50 0 CJAARN COc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1Cl ZINC000004551683 567858155 /nfs/dbraw/zinc/85/81/55/567858155.db2.gz PFLXOUOHUQRMJH-UHFFFAOYSA-N 0 0 298.773 4.949 50 0 CJAARN Cc1ccccc1C(=O)Sc1ccc(Cl)cc1 ZINC000004554224 567858198 /nfs/dbraw/zinc/85/81/98/567858198.db2.gz UKGGTUVMNFFABX-UHFFFAOYSA-N 0 0 262.761 4.581 50 0 CJAARN CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000004554524 169983362 /nfs/dbraw/zinc/98/33/62/169983362.db2.gz BRRPRBDJPVVCJR-UHFFFAOYSA-N 0 0 296.395 4.620 50 0 CJAARN CCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000004554809 169983391 /nfs/dbraw/zinc/98/33/91/169983391.db2.gz PRKNUGQLXKTQSE-UHFFFAOYSA-N 0 0 296.395 4.702 50 0 CJAARN CC(=O)c1cccc2c1C1c3ccccc3C2c2ccccc21 ZINC000004557408 567858125 /nfs/dbraw/zinc/85/81/25/567858125.db2.gz QPEWYHAXRDLZDC-UHFFFAOYSA-N 0 0 296.369 4.876 50 0 CJAARN Cc1ccc(-c2csc(Nc3ccc(C)cn3)n2)cc1 ZINC000004560352 570332745 /nfs/dbraw/zinc/33/27/45/570332745.db2.gz DPGDYCFYXFSGQL-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN CCCCCCc1ccc(-c2ccc(OC)cc2)nc1 ZINC000004562239 567870816 /nfs/dbraw/zinc/87/08/16/567870816.db2.gz XAPWQXBIKXKPQH-UHFFFAOYSA-N 0 0 269.388 4.880 50 0 CJAARN Oc1ccccc1-c1ccccc1OCc1ccccc1 ZINC000004565953 567858233 /nfs/dbraw/zinc/85/82/33/567858233.db2.gz QGPIASOEFBJOQV-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN CCC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004566362 567858270 /nfs/dbraw/zinc/85/82/70/567858270.db2.gz QKKFQKCRCCRIRQ-UHFFFAOYSA-N 0 0 268.400 4.747 50 0 CJAARN O=C1/C(=C/c2cccs2)CCC/C1=C\c1ccccc1 ZINC000004567358 566861996 /nfs/dbraw/zinc/86/19/96/566861996.db2.gz IMQKFAVDBYXBAD-WSGPNKEYSA-N 0 0 280.392 4.968 50 0 CJAARN COc1ccccc1Nc1nc(-c2ccc(C)cc2)cs1 ZINC000004567426 567858293 /nfs/dbraw/zinc/85/82/93/567858293.db2.gz RLEQDBRHGPEYNJ-UHFFFAOYSA-N 0 0 296.395 4.871 50 0 CJAARN CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C)c1 ZINC000004567485 567858071 /nfs/dbraw/zinc/85/80/71/567858071.db2.gz QCXMZDHHQULYHZ-HNENSFHCSA-N 0 0 294.423 4.777 50 0 CJAARN Cc1n[nH]c(C)c1CCCCOc1cccc(C(C)C)c1 ZINC000004568319 567858289 /nfs/dbraw/zinc/85/82/89/567858289.db2.gz CKYBRJKBMCKYTC-UHFFFAOYSA-N 0 0 286.419 4.552 50 0 CJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)c1ccccc1 ZINC000004569316 566864124 /nfs/dbraw/zinc/86/41/24/566864124.db2.gz HZQGVIGDGRFMNJ-CYGHRXIMSA-N 0 0 288.431 4.794 50 0 CJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)c1ccccc1 ZINC000004569335 528706970 /nfs/dbraw/zinc/70/69/70/528706970.db2.gz HZQGVIGDGRFMNJ-MXSMSXNCSA-N 0 0 288.431 4.794 50 0 CJAARN CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)S1 ZINC000004578818 169986388 /nfs/dbraw/zinc/98/63/88/169986388.db2.gz YWBWCQBRPLTUBG-CVEARBPZSA-N 0 0 253.370 4.634 50 0 CJAARN CC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)S1 ZINC000004578819 567057593 /nfs/dbraw/zinc/05/75/93/567057593.db2.gz YWBWCQBRPLTUBG-HOTGVXAUSA-N 0 0 253.370 4.634 50 0 CJAARN CC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)S1 ZINC000004578820 567057578 /nfs/dbraw/zinc/05/75/78/567057578.db2.gz YWBWCQBRPLTUBG-HZPDHXFCSA-N 0 0 253.370 4.634 50 0 CJAARN CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)S1 ZINC000004578821 567058036 /nfs/dbraw/zinc/05/80/36/567058036.db2.gz YWBWCQBRPLTUBG-JKSUJKDBSA-N 0 0 253.370 4.634 50 0 CJAARN c1ccc2cc3c(cc2c1)C=Nc1ccccc1N=C3 ZINC000004582786 567858437 /nfs/dbraw/zinc/85/84/37/567858437.db2.gz ASSQRFQUATULIR-UHFFFAOYSA-N 0 0 256.308 4.654 50 0 CJAARN CC(N=Nc1ccc(F)cc1F)c1ccc2ccccc2c1 ZINC000004587134 566864973 /nfs/dbraw/zinc/86/49/73/566864973.db2.gz CNTFUMFXUXAARV-CIAFOILYSA-N 0 0 296.320 4.954 50 0 CJAARN CCCC1CCC(C2=N/C(=C\c3ccccc3)C(=O)O2)CC1 ZINC000004590391 567872911 /nfs/dbraw/zinc/87/29/11/567872911.db2.gz FHRUQZVAFPLFDE-LGMDPLHJSA-N 0 0 297.398 4.589 50 0 CJAARN Cc1ccc([S@](=O)C(F)C=CCc2ccccc2)cc1 ZINC000004592727 567932852 /nfs/dbraw/zinc/93/28/52/567932852.db2.gz JQYYXKQSFWGZJR-JFQUDDBISA-N 0 0 288.387 4.546 50 0 CJAARN Cc1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000004597828 169988450 /nfs/dbraw/zinc/98/84/50/169988450.db2.gz KYKLNLLCUHPGIB-ZHACJKMWSA-N 0 0 296.757 4.869 50 0 CJAARN CCCCc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000004602649 567858674 /nfs/dbraw/zinc/85/86/74/567858674.db2.gz XTCUMHJKDSUJCC-UHFFFAOYSA-N 0 0 281.399 4.898 50 0 CJAARN Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000004610888 184532017 /nfs/dbraw/zinc/53/20/17/184532017.db2.gz GZMAOCWDYLDMKR-UHFFFAOYSA-N 0 0 294.181 4.863 50 0 CJAARN CC(C)=CCC/C(C)=C/CC(C)(C)[C@H]1OC[C@@H](C)O1 ZINC000004611585 567888420 /nfs/dbraw/zinc/88/84/20/567888420.db2.gz GFPWXNLKDDVGJQ-HZWIXDFKSA-N 0 0 266.425 4.857 50 0 CJAARN CC(C)=CCC/C(C)=C/CC(C)(C)[C@@H]1OC[C@@H](C)O1 ZINC000004611586 169989817 /nfs/dbraw/zinc/98/98/17/169989817.db2.gz GFPWXNLKDDVGJQ-YYOKVSEPSA-N 0 0 266.425 4.857 50 0 CJAARN CC(C)=CCC/C(C)=C/CC(C)(C)[C@@H]1OC[C@H](C)O1 ZINC000004611587 567888315 /nfs/dbraw/zinc/88/83/15/567888315.db2.gz GFPWXNLKDDVGJQ-KFOKOMITSA-N 0 0 266.425 4.857 50 0 CJAARN Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C ZINC000004614880 567858581 /nfs/dbraw/zinc/85/85/81/567858581.db2.gz TVGWNWRBPOYCOV-UHFFFAOYSA-N 0 0 275.351 4.709 50 0 CJAARN Clc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000004616418 169990043 /nfs/dbraw/zinc/99/00/43/169990043.db2.gz AFNALEGCHSTFAX-UHFFFAOYSA-N 0 0 280.714 4.696 50 0 CJAARN c1coc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)c1 ZINC000004616581 567858697 /nfs/dbraw/zinc/85/86/97/567858697.db2.gz DZZKBENCUFGVHG-UHFFFAOYSA-N 0 0 288.306 4.664 50 0 CJAARN c1ccc2c(c1)oc1cc(NCc3cccnc3)ccc12 ZINC000004622008 169990367 /nfs/dbraw/zinc/99/03/67/169990367.db2.gz FEHBJSRIQQGYPF-UHFFFAOYSA-N 0 0 274.323 4.593 50 0 CJAARN COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 ZINC000004623147 567858461 /nfs/dbraw/zinc/85/84/61/567858461.db2.gz KUSZSJKYIJJGIU-UHFFFAOYSA-N 0 0 296.395 4.871 50 0 CJAARN c1ccc2c(c1)nc([C@@H]1CCCO1)n2CCC1CCCCC1 ZINC000004623993 169990750 /nfs/dbraw/zinc/99/07/50/169990750.db2.gz OHLPZDPBKFCCAE-SFHVURJKSA-N 0 0 298.430 4.858 50 0 CJAARN c1ccc2c(c1)nc([C@H]1CCCO1)n2CCC1CCCCC1 ZINC000004623996 567894719 /nfs/dbraw/zinc/89/47/19/567894719.db2.gz OHLPZDPBKFCCAE-GOSISDBHSA-N 0 0 298.430 4.858 50 0 CJAARN Cc1cccc(-n2cc(-c3ccccc3)[nH]c2=S)c1 ZINC000004645851 570245860 /nfs/dbraw/zinc/24/58/60/570245860.db2.gz UUHLWJROIFBMHE-UHFFFAOYSA-N 0 0 266.369 4.510 50 0 CJAARN COc1ccc(-c2n[nH]c3c2[C@H](C)CC[C@H]3C(C)C)cc1 ZINC000004649921 567858453 /nfs/dbraw/zinc/85/84/53/567858453.db2.gz KGHOBCMCJCYPTD-DOMZBBRYSA-N 0 0 284.403 4.722 50 0 CJAARN O=C(Nc1ccccc1C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004653963 567858501 /nfs/dbraw/zinc/85/85/01/567858501.db2.gz LSAJVFIGNWAAHO-UHFFFAOYSA-N 0 0 295.426 4.719 50 0 CJAARN OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl ZINC000004654914 567858625 /nfs/dbraw/zinc/85/86/25/567858625.db2.gz KTVAHLGKTSPDOG-UHFFFAOYSA-N 0 0 294.781 4.624 50 0 in-vitro CJAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004655069 169993832 /nfs/dbraw/zinc/99/38/32/169993832.db2.gz QUKZBUCPOSYYFO-KYQPOWKGSA-N 0 0 276.464 4.780 50 0 in-vitro CJAARN O=C(c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000004655790 567858565 /nfs/dbraw/zinc/85/85/65/567858565.db2.gz UCXGUJKSPQSQDQ-UHFFFAOYSA-N 0 0 294.300 4.863 50 0 CJAARN O[C@H](c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000004655791 169993774 /nfs/dbraw/zinc/99/37/74/169993774.db2.gz GVCNKZYLMJGZAU-IBGZPJMESA-N 0 0 296.316 4.714 50 0 CJAARN O[C@@H](c1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000004655792 570246989 /nfs/dbraw/zinc/24/69/89/570246989.db2.gz GVCNKZYLMJGZAU-LJQANCHMSA-N 0 0 296.316 4.714 50 0 CJAARN Fc1ccc(CSc2ccc(Br)cc2)cc1 ZINC000004656017 169994629 /nfs/dbraw/zinc/99/46/29/169994629.db2.gz IFCHZSXOKYVTJT-UHFFFAOYSA-N 0 0 297.192 4.881 50 0 CJAARN Cc1noc(C)c1C1(O)CCCCCCCCCCC1 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O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccccc1 ZINC000005900871 170152533 /nfs/dbraw/zinc/15/25/33/170152533.db2.gz VVPXGOAWNQFKMS-MDZDMXLPSA-N 0 0 292.165 4.645 50 0 CJAARN Cl/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000005901515 170152451 /nfs/dbraw/zinc/15/24/51/170152451.db2.gz KKYQBQSAPFVTQK-XFXZXTDPSA-N 0 0 289.165 4.953 50 0 CJAARN CC1=Nc2c3ccccc3[nH]c2-c2cc(Cl)ccc2N1 ZINC000005903548 170152618 /nfs/dbraw/zinc/15/26/18/170152618.db2.gz XROKDKBVZVPCNQ-UHFFFAOYSA-N 0 0 281.746 4.964 50 0 CJAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2)cc1 ZINC000005903656 170152394 /nfs/dbraw/zinc/15/23/94/170152394.db2.gz AVMIAJAOFXDOSN-SDNWHVSQSA-N 0 0 279.383 4.636 50 0 in-vivo CJAARN COc1ccc(-c2cc(CSc3ccccc3)on2)cc1 ZINC000005917782 170155306 /nfs/dbraw/zinc/15/53/06/170155306.db2.gz PWKJBIKBEYIDCX-UHFFFAOYSA-N 0 0 297.379 4.643 50 0 CJAARN CCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000005927066 170156540 /nfs/dbraw/zinc/15/65/40/170156540.db2.gz DKZLTAJJGGHPKA-UHFFFAOYSA-N 0 0 268.360 4.559 50 0 CJAARN CCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000005927080 170156710 /nfs/dbraw/zinc/15/67/10/170156710.db2.gz XDDGSHMMZLOORM-UHFFFAOYSA-N 0 0 282.387 4.949 50 0 CJAARN S=c1[nH]c2ccccc2n1Cc1cccc2ccccc21 ZINC000005927653 170156691 /nfs/dbraw/zinc/15/66/91/170156691.db2.gz UZSHCLFKEZZQDY-UHFFFAOYSA-N 0 0 290.391 4.900 50 0 CJAARN S=c1[nH]c2ccccc2n1Cc1ccc2ccccc2c1 ZINC000005927681 170156666 /nfs/dbraw/zinc/15/66/66/170156666.db2.gz FUMXTNJTVHHMAP-UHFFFAOYSA-N 0 0 290.391 4.900 50 0 CJAARN C[C@H]1C[C@H](C)CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000005936973 170158578 /nfs/dbraw/zinc/15/85/78/170158578.db2.gz PILWNRSYIANKMM-KBPBESRZSA-N 0 0 299.439 4.533 50 0 CJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000005936974 170158180 /nfs/dbraw/zinc/15/81/80/170158180.db2.gz PILWNRSYIANKMM-ZIAGYGMSSA-N 0 0 299.439 4.533 50 0 CJAARN Cc1sc(NC2CCCC2)nc1-c1ccc(F)c(F)c1 ZINC000005937092 170158188 /nfs/dbraw/zinc/15/81/88/170158188.db2.gz GUFXDQPQXRJQPO-UHFFFAOYSA-N 0 0 294.370 4.751 50 0 CJAARN c1sc(-c2cccnc2)nc1-c1cc2ccccc2o1 ZINC000005937519 170158173 /nfs/dbraw/zinc/15/81/73/170158173.db2.gz OGWBBNPFWPPCOZ-UHFFFAOYSA-N 0 0 278.336 4.618 50 0 CJAARN Cc1cc(OCc2coc(-c3ccccc3)n2)ccc1Cl ZINC000005937665 170158161 /nfs/dbraw/zinc/15/81/61/170158161.db2.gz JEUHQKUCINFPAR-UHFFFAOYSA-N 0 0 299.757 4.882 50 0 CJAARN CC(C)(C)Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000005937705 170158170 /nfs/dbraw/zinc/15/81/70/170158170.db2.gz SHUXUBHSBROBFM-UHFFFAOYSA-N 0 0 283.400 4.569 50 0 CJAARN CCCCC[C@@H](C)Nc1ncnc2sc3c(c21)CCC3 ZINC000005937710 170158177 /nfs/dbraw/zinc/15/81/77/170158177.db2.gz QUNUNTDYUNBIOE-LLVKDONJSA-N 0 0 289.448 4.561 50 0 CJAARN CCCCC[C@H](C)Nc1ncnc2sc3c(c21)CCC3 ZINC000005937711 170158373 /nfs/dbraw/zinc/15/83/73/170158373.db2.gz QUNUNTDYUNBIOE-NSHDSACASA-N 0 0 289.448 4.561 50 0 CJAARN Clc1ccc(Nc2ncnc3sccc32)c(Cl)c1 ZINC000005938023 170158165 /nfs/dbraw/zinc/15/81/65/170158165.db2.gz IKWFIMQKOMPONI-UHFFFAOYSA-N 0 0 296.182 4.742 50 0 CJAARN Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C)o1 ZINC000005938398 170159306 /nfs/dbraw/zinc/15/93/06/170159306.db2.gz YSTSBUWWQMAEHA-UHFFFAOYSA-N 0 0 291.350 4.816 50 0 CJAARN S=C(NCCC1=CCCCC1)Nc1cccc(Cl)c1 ZINC000005944251 170160581 /nfs/dbraw/zinc/16/05/81/170160581.db2.gz IBTNCFRKVLLGFJ-UHFFFAOYSA-N 0 0 294.851 4.517 50 0 CJAARN FC(F)(F)c1ccc(/C=C/C2SCCCS2)cc1 ZINC000005944503 570326237 /nfs/dbraw/zinc/32/62/37/570326237.db2.gz VIYHLMGWCONSHK-QPJJXVBHSA-N 0 0 290.375 4.915 50 0 CJAARN Fc1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000005944803 170160552 /nfs/dbraw/zinc/16/05/52/170160552.db2.gz KIUQWWIOPQFHGW-UHFFFAOYSA-N 0 0 252.741 4.771 50 0 CJAARN c1c(-c2ccccc2)oc2ncnc(Oc3ccccc3)c12 ZINC000005948012 170161148 /nfs/dbraw/zinc/16/11/48/170161148.db2.gz HDKSRJYQONOKEC-UHFFFAOYSA-N 0 0 288.306 4.682 50 0 CJAARN CC[C@H](C)c1ccc(NCCC(=O)c2cccs2)cc1 ZINC000005949853 170160897 /nfs/dbraw/zinc/16/08/97/170160897.db2.gz BDYZXRCLAMQYHQ-ZDUSSCGKSA-N 0 0 287.428 4.947 50 0 CJAARN Cc1nc2c(c3c4ccccc4[nH]c31)CCC(C)(C)C2 ZINC000005956688 170162369 /nfs/dbraw/zinc/16/23/69/170162369.db2.gz OOXPNIOUQDUXJA-UHFFFAOYSA-N 0 0 264.372 4.539 50 0 CJAARN c1ccc(-c2nnc(-c3ccccc3)c3c2CCCC3)cc1 ZINC000005959512 170162831 /nfs/dbraw/zinc/16/28/31/170162831.db2.gz XIUZMSUIKNGBRV-UHFFFAOYSA-N 0 0 286.378 4.689 50 0 CJAARN Cc1cc(Cl)cc(C)c1Oc1ncnc2sccc21 ZINC000005959553 170162689 /nfs/dbraw/zinc/16/26/89/170162689.db2.gz JZGCOQPPQKAGMS-UHFFFAOYSA-N 0 0 290.775 4.754 50 0 CJAARN Cc1ccc([C@@H](CC(N)=O)c2ccc(OC(C)C)cc2)cc1 ZINC000005968771 170164582 /nfs/dbraw/zinc/16/45/82/170164582.db2.gz JVEAZZHKMZLIAL-GOSISDBHSA-N 0 0 297.398 4.839 50 0 CJAARN Cc1ccc([C@H](CC(N)=O)c2ccc(OC(C)C)cc2)cc1 ZINC000005968806 170164405 /nfs/dbraw/zinc/16/44/05/170164405.db2.gz JVEAZZHKMZLIAL-SFHVURJKSA-N 0 0 297.398 4.839 50 0 CJAARN CCOc1ccc2[nH]c(SCc3ccc(C)cc3)nc2c1 ZINC000006028493 170170069 /nfs/dbraw/zinc/17/00/69/170170069.db2.gz PFMVLUQBLRRJBC-UHFFFAOYSA-N 0 0 298.411 4.562 50 0 CJAARN C[C@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@H](C)COC3 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CCCCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000012138127 567862375 /nfs/dbraw/zinc/86/23/75/567862375.db2.gz FMCOEOVNUJVWGI-UHFFFAOYSA-N 0 0 298.411 4.799 50 0 CJAARN CCOc1ccc(-c2ccccc2)cc1Br ZINC000012138148 567862143 /nfs/dbraw/zinc/86/21/43/567862143.db2.gz OBNHEPSNNZHPDB-UHFFFAOYSA-N 0 0 277.161 4.515 50 0 CJAARN Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1 ZINC000012157451 170471628 /nfs/dbraw/zinc/47/16/28/170471628.db2.gz VGTAIBDZXAXLTO-UHFFFAOYSA-N 0 0 285.412 4.507 50 0 CJAARN Cc1cccc(NC(=O)C2(c3cccs3)CCCC2)c1 ZINC000012157469 567945670 /nfs/dbraw/zinc/94/56/70/567945670.db2.gz JANUXLSYSAXXNS-UHFFFAOYSA-N 0 0 285.412 4.507 50 0 CJAARN CCc1ccccc1NC(=O)C1(c2cccs2)CCCC1 ZINC000012157734 567945646 /nfs/dbraw/zinc/94/56/46/567945646.db2.gz YJKKYXHFTUNORP-UHFFFAOYSA-N 0 0 299.439 4.761 50 0 CJAARN Cc1cccc(NC(=O)C2(c3cccs3)CCCC2)c1C ZINC000012157826 567945653 /nfs/dbraw/zinc/94/56/53/567945653.db2.gz KBIJLTRXKDCXRG-UHFFFAOYSA-N 0 0 299.439 4.815 50 0 CJAARN Cc1cccc(C)c1NC(=O)C1(c2cccs2)CCCC1 ZINC000012157837 567945751 /nfs/dbraw/zinc/94/57/51/567945751.db2.gz YRZFPTVDBXQYAI-UHFFFAOYSA-N 0 0 299.439 4.815 50 0 CJAARN Cc1ccccc1NC(=O)C1(c2cccs2)CCCC1 ZINC000012157910 567945652 /nfs/dbraw/zinc/94/56/52/567945652.db2.gz AUULLAIDRYHSQC-UHFFFAOYSA-N 0 0 285.412 4.507 50 0 CJAARN Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)c(C)c1 ZINC000012157918 567945661 /nfs/dbraw/zinc/94/56/61/567945661.db2.gz JWUHLHIYLOTSFF-UHFFFAOYSA-N 0 0 299.439 4.815 50 0 CJAARN Cc1ccc(C)c(NC(=O)C2(c3cccs3)CCCC2)c1 ZINC000012157934 567945639 /nfs/dbraw/zinc/94/56/39/567945639.db2.gz YGKDTPBBFGSUNW-UHFFFAOYSA-N 0 0 299.439 4.815 50 0 CJAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc2ccccc21 ZINC000012210308 567945795 /nfs/dbraw/zinc/94/57/95/567945795.db2.gz PBDPWAJXWRWRDZ-UHFFFAOYSA-N 0 0 287.362 4.581 50 0 CJAARN Cc1ccc(Oc2ccc(NC(=O)c3ccoc3)cc2)cc1 ZINC000012274756 525477572 /nfs/dbraw/zinc/47/75/72/525477572.db2.gz XUXJBAPYZBRVLK-UHFFFAOYSA-N 0 0 293.322 4.633 50 0 CJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccsc1 ZINC000012274761 570301694 /nfs/dbraw/zinc/30/16/94/570301694.db2.gz VFAPMWKGTISCDN-UHFFFAOYSA-N 0 0 295.363 4.793 50 0 CJAARN O=C(c1ccsc1)N(c1ccccc1)C1CCCCC1 ZINC000012274762 567862515 /nfs/dbraw/zinc/86/25/15/567862515.db2.gz JTUZIOASOOKDKH-UHFFFAOYSA-N 0 0 285.412 4.728 50 0 CJAARN Cc1oc(-c2ccccc2)cc1-c1nnc(-c2ccco2)o1 ZINC000012274775 567862552 /nfs/dbraw/zinc/86/25/52/567862552.db2.gz PTFBBCXJAKRZRV-UHFFFAOYSA-N 0 0 292.294 4.565 50 0 CJAARN CCc1ccccc1NC(=O)c1cc2cc(C)ccc2o1 ZINC000012274827 170474672 /nfs/dbraw/zinc/47/46/72/170474672.db2.gz RUYAVIYEMJIETM-UHFFFAOYSA-N 0 0 279.339 4.556 50 0 CJAARN Clc1ccccc1/C=C/c1nnc(-c2cccs2)o1 ZINC000012290016 170474840 /nfs/dbraw/zinc/47/48/40/170474840.db2.gz GKNDEPSMZWIOAG-BQYQJAHWSA-N 0 0 288.759 4.622 50 0 CJAARN Cc1c(-c2cccc(C)c2)n[nH]c1-c1cccc(C)c1 ZINC000012357670 170478761 /nfs/dbraw/zinc/47/87/61/170478761.db2.gz BUVIMERBOBZZSX-UHFFFAOYSA-N 0 0 262.356 4.669 50 0 CJAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1C ZINC000012357693 567862698 /nfs/dbraw/zinc/86/26/98/567862698.db2.gz ZXDMXDVSDZPQES-UHFFFAOYSA-N 0 0 276.383 4.977 50 0 CJAARN Fc1ccc(-c2n[nH]c(-c3ccc(F)cc3)c2Cl)cc1 ZINC000012357714 567862659 /nfs/dbraw/zinc/86/26/59/567862659.db2.gz HDGPZOGOETYLPQ-UHFFFAOYSA-N 0 0 290.700 4.675 50 0 CJAARN C[C@@H](O[P@](C)(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000012358653 567862631 /nfs/dbraw/zinc/86/26/31/567862631.db2.gz XSQAITMTGIQAHD-DNJLBHFNSA-N 0 0 264.346 4.712 50 0 CJAARN Nc1cc(Cl)ccc1Sc1nc2ccccc2s1 ZINC000012360458 567862671 /nfs/dbraw/zinc/86/26/71/567862671.db2.gz JPYYBAQUSVDUCQ-UHFFFAOYSA-N 0 0 292.816 4.683 50 0 CJAARN CC(C)(C)c1ccc(C(=O)CCNc2cccc(F)c2)cc1 ZINC000012365017 170479699 /nfs/dbraw/zinc/47/96/99/170479699.db2.gz QNWIHHRRPDVJPT-UHFFFAOYSA-N 0 0 299.389 4.808 50 0 CJAARN CC(C)c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000012367945 567862613 /nfs/dbraw/zinc/86/26/13/567862613.db2.gz RMDHMPRDBCENLC-BOPFTXTBSA-N 0 0 295.407 4.895 50 0 CJAARN O=C(/C=C\c1cccs1)Oc1cccc2ccccc21 ZINC000012368053 170480186 /nfs/dbraw/zinc/48/01/86/170480186.db2.gz GRLRKIRXODEUKV-KHPPLWFESA-N 0 0 280.348 4.520 50 0 CJAARN O=C(/C=C\c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000012368057 567948619 /nfs/dbraw/zinc/94/86/19/567948619.db2.gz CCTWENOXIBEAES-XQRVVYSFSA-N 0 0 298.194 4.707 50 0 CJAARN Cc1ccc2oc(-c3ccccc3)c/c(=N\CC(C)C)c2c1 ZINC000012374208 567949026 /nfs/dbraw/zinc/94/90/26/567949026.db2.gz NLECWVRDKVXVOZ-DYTRJAOYSA-N 0 0 291.394 4.965 50 0 CJAARN Cc1cccc2nc(CSc3ccc(Cl)cc3)cn21 ZINC000012374444 170481118 /nfs/dbraw/zinc/48/11/18/170481118.db2.gz LCWVNAWOVHXFSG-UHFFFAOYSA-N 0 0 288.803 4.588 50 0 CJAARN O=C1C[C@H](c2ccccc2)S[C@H](c2ccccc2)C1 ZINC000012376136 567862997 /nfs/dbraw/zinc/86/29/97/567862997.db2.gz PPJHHCQGZVIWAR-CALCHBBNSA-N 0 0 268.381 4.565 50 0 CJAARN C[C@H](NC(=O)c1sc2ccccc2c1Cl)C(C)(C)C ZINC000012381106 567863177 /nfs/dbraw/zinc/86/31/77/567863177.db2.gz UOIWAUPJGXDBFG-VIFPVBQESA-N 0 0 295.835 4.719 50 0 CJAARN C[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(C)(C)C ZINC000012381107 170482258 /nfs/dbraw/zinc/48/22/58/170482258.db2.gz UOIWAUPJGXDBFG-SECBINFHSA-N 0 0 295.835 4.719 50 0 CJAARN CC(C)(C)c1ccccc1NC(=O)CCc1ccccc1 ZINC000012381768 567863077 /nfs/dbraw/zinc/86/30/77/567863077.db2.gz KXYULQGBXUDTRV-UHFFFAOYSA-N 0 0 281.399 4.555 50 0 CJAARN CC(C)CCC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl ZINC000012382199 567862888 /nfs/dbraw/zinc/86/28/88/567862888.db2.gz SXTCNRDWNCKAMA-GCZGRYASSA-N 0 0 293.838 4.684 50 0 CJAARN CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2F)cs1 ZINC000012382883 567863182 /nfs/dbraw/zinc/86/31/82/567863182.db2.gz QZOJYEIQHMUOOL-UHFFFAOYSA-N 0 0 297.782 4.916 50 0 CJAARN COc1ccc(CC[C@H](C)Nc2ccc(Cl)cc2)cc1 ZINC000012383442 567940196 /nfs/dbraw/zinc/94/01/96/567940196.db2.gz YBTGXQJNAYMQGN-ZDUSSCGKSA-N 0 0 289.806 4.782 50 0 CJAARN COc1ccc(CC[C@@H](C)Nc2ccc(Cl)cc2)cc1 ZINC000012383443 170483028 /nfs/dbraw/zinc/48/30/28/170483028.db2.gz YBTGXQJNAYMQGN-CYBMUJFWSA-N 0 0 289.806 4.782 50 0 CJAARN O=Cc1ccc(-c2cccc(Cl)c2Cl)s1 ZINC000012396279 570316049 /nfs/dbraw/zinc/31/60/49/570316049.db2.gz MYTHSIGPBJLEHU-UHFFFAOYSA-N 0 0 257.141 4.534 50 0 CJAARN Cc1ccc(-c2cc(-c3ccc(C)cc3C)[nH]n2)c(C)c1 ZINC000012396854 567863197 /nfs/dbraw/zinc/86/31/97/567863197.db2.gz ONVZVRXSYJFYLM-UHFFFAOYSA-N 0 0 276.383 4.977 50 0 CJAARN CC(C)CCn1c2ccccc2nc1CC(C)(C)C ZINC000012401417 567862969 /nfs/dbraw/zinc/86/29/69/567862969.db2.gz FBBHEDJURCXVMQ-UHFFFAOYSA-N 0 0 258.409 4.671 50 0 CJAARN CC1(C)Cc2cccc(OCc3ccc(Cl)cc3)c2O1 ZINC000012402474 256873170 /nfs/dbraw/zinc/87/31/70/256873170.db2.gz SBRCKWLNDYCUIK-UHFFFAOYSA-N 0 0 288.774 4.633 50 0 CJAARN O=Cc1c2ccccc2[nH]c1-c1ccc2c(c1)CCCC2 ZINC000012404978 170485617 /nfs/dbraw/zinc/48/56/17/170485617.db2.gz JQBCYSFEOYJREH-UHFFFAOYSA-N 0 0 275.351 4.526 50 0 CJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000012406554 567881061 /nfs/dbraw/zinc/88/10/61/567881061.db2.gz MHWRFYDYSHKIOZ-IYBDPMFKSA-N 0 0 293.410 4.757 50 0 CJAARN CCCCc1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000012410993 170486270 /nfs/dbraw/zinc/48/62/70/170486270.db2.gz RJSKVJFZWROHFQ-UHFFFAOYSA-N 0 0 282.362 4.566 50 0 CJAARN Clc1ccc(SCCc2ccncc2)cc1Cl ZINC000012428549 170488141 /nfs/dbraw/zinc/48/81/41/170488141.db2.gz OKROJKYTJTXLQC-UHFFFAOYSA-N 0 0 284.211 4.723 50 0 CJAARN S=C(NC1CCCCC1)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000012437036 170488537 /nfs/dbraw/zinc/48/85/37/170488537.db2.gz UZLDAVJZPYZHOE-PPTUABLRSA-N 0 0 291.504 4.843 50 0 CJAARN Cc1ccc(CCC(=O)Nc2ccccc2C)cc1Cl ZINC000012459481 566834859 /nfs/dbraw/zinc/83/48/59/566834859.db2.gz QFOGIPVWBWVTGT-UHFFFAOYSA-N 0 0 287.790 4.528 50 0 CJAARN Cc1ccc(C(c2ccc(C)o2)c2cccs2)o1 ZINC000012462498 567863673 /nfs/dbraw/zinc/86/36/73/567863673.db2.gz IZHXVZSPURFJEH-UHFFFAOYSA-N 0 0 258.342 4.731 50 0 CJAARN Cc1[nH]c(=S)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000012476469 566844706 /nfs/dbraw/zinc/84/47/06/566844706.db2.gz VFQHQUJIQGTLEZ-UHFFFAOYSA-N 0 0 290.240 4.638 50 0 CJAARN CC(C)(C)c1ccc(-c2ccc(N)c(Cl)c2)cc1 ZINC000012480648 170490644 /nfs/dbraw/zinc/49/06/44/170490644.db2.gz XDUUWBDFLGQZSW-UHFFFAOYSA-N 0 0 259.780 4.887 50 0 CJAARN Cc1cc(-c2csc(Nc3ccccn3)n2)c(C)s1 ZINC000012517031 170492885 /nfs/dbraw/zinc/49/28/85/170492885.db2.gz MYFPUUIHTGNBTC-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN c1ccc(-c2c3ccccc3nc3c2CSCC3)cc1 ZINC000012522879 570326735 /nfs/dbraw/zinc/32/67/35/570326735.db2.gz LANOJRVZOGJDEH-UHFFFAOYSA-N 0 0 277.392 4.691 50 0 CJAARN Cc1cs/c(=N/c2ccccc2C)n1-c1ccccc1C ZINC000012524034 570326739 /nfs/dbraw/zinc/32/67/39/570326739.db2.gz PACYINKYRRHTIR-VHEBQXMUSA-N 0 0 294.423 4.696 50 0 CJAARN Cc1cc(SCc2cccc(F)c2)c2ccccc2n1 ZINC000012536800 170494770 /nfs/dbraw/zinc/49/47/70/170494770.db2.gz WIOVSIJJKQWUDW-UHFFFAOYSA-N 0 0 283.371 4.975 50 0 CJAARN Cc1ccc(-c2nc(CN(C)c3ccccc3)co2)c(C)c1 ZINC000012537343 566846242 /nfs/dbraw/zinc/84/62/42/566846242.db2.gz NYIJRNHLYQCFEP-UHFFFAOYSA-N 0 0 292.382 4.595 50 0 CJAARN CC(=O)c1cccc(Oc2ccnc3cc(Cl)ccc32)c1 ZINC000012545252 570327331 /nfs/dbraw/zinc/32/73/31/570327331.db2.gz JNLMLQWBLKUSSI-UHFFFAOYSA-N 0 0 297.741 4.883 50 0 CJAARN Cc1ccn2cc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000012546566 570395101 /nfs/dbraw/zinc/39/51/01/570395101.db2.gz KIKDGSRZMXUHQP-UHFFFAOYSA-N 0 0 264.372 4.607 50 0 CJAARN Clc1ccccc1-c1csc(Nc2ccccn2)n1 ZINC000012549788 566849487 /nfs/dbraw/zinc/84/94/87/566849487.db2.gz GDEUKUJBILDNDV-UHFFFAOYSA-N 0 0 287.775 4.602 50 0 CJAARN c1sc(Nc2ccccn2)nc1-c1cc2ccccc2o1 ZINC000012551425 566848295 /nfs/dbraw/zinc/84/82/95/566848295.db2.gz ZGUNLQXBNKQOKF-UHFFFAOYSA-N 0 0 293.351 4.695 50 0 CJAARN CCOc1ccc2[nH]c(SCc3ccccc3C)nc2c1 ZINC000012558445 567863476 /nfs/dbraw/zinc/86/34/76/567863476.db2.gz SRCVDFRJZMNTBU-UHFFFAOYSA-N 0 0 298.411 4.562 50 0 CJAARN Cc1ccccc1-c1cn(-c2ccccc2)c(=S)[nH]1 ZINC000012561885 170497415 /nfs/dbraw/zinc/49/74/15/170497415.db2.gz GEVCSCUGLVKSHA-UHFFFAOYSA-N 0 0 266.369 4.510 50 0 CJAARN COc1ccc2c(C)cc(Nc3cc(F)ccc3C)nc2c1 ZINC000012564547 566849178 /nfs/dbraw/zinc/84/91/78/566849178.db2.gz HURFPDQSUALULL-UHFFFAOYSA-N 0 0 296.345 4.743 50 0 CJAARN Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000012577491 566852166 /nfs/dbraw/zinc/85/21/66/566852166.db2.gz ZUIASTINMXRGJS-UHFFFAOYSA-N 0 0 285.412 4.578 50 0 CJAARN CC(C)c1ccc(Nc2ncnc3sccc32)cc1 ZINC000012598798 570328844 /nfs/dbraw/zinc/32/88/44/570328844.db2.gz POADMUDZWIFXHZ-UHFFFAOYSA-N 0 0 269.373 4.558 50 0 CJAARN Cc1cccc(NC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000012599039 170499759 /nfs/dbraw/zinc/49/97/59/170499759.db2.gz QQFWLFCTKLNELD-UHFFFAOYSA-N 0 0 268.360 4.762 50 0 CJAARN Cc1c2ccccc2nc2c1CSc1ccccc1-2 ZINC000012631698 170501906 /nfs/dbraw/zinc/50/19/06/170501906.db2.gz OANVBNKGGSVCPV-UHFFFAOYSA-N 0 0 263.365 4.816 50 0 CJAARN Cc1cccnc1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000012645252 260063274 /nfs/dbraw/zinc/06/32/74/260063274.db2.gz DCSRESATHAMUDQ-UHFFFAOYSA-N 0 0 294.398 4.690 50 0 CJAARN CC(C)=CCC[C@@H](C)N(C=O)[C@@H](C)CCC=C(C)C ZINC000012652325 567864103 /nfs/dbraw/zinc/86/41/03/567864103.db2.gz DPLSPVPSCNGGTJ-CALCHBBNSA-N 0 0 265.441 4.715 50 0 CJAARN Cc1cc(-c2ccc(Cl)cc2)nc2ccccc12 ZINC000012660471 570395547 /nfs/dbraw/zinc/39/55/47/570395547.db2.gz VBXSFKVMPCXYAR-UHFFFAOYSA-N 0 0 253.732 4.864 50 0 CJAARN O=C(CC1CCCC1)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000012681902 570331946 /nfs/dbraw/zinc/33/19/46/570331946.db2.gz CYKWVDGMJJQVNP-UHFFFAOYSA-N 0 0 291.394 4.777 50 0 CJAARN CCc1cccc(NC(=O)c2oc3ccc(C)cc3c2C)c1 ZINC000012696343 170504721 /nfs/dbraw/zinc/50/47/21/170504721.db2.gz JCYZRRSVGRHHNF-UHFFFAOYSA-N 0 0 293.366 4.864 50 0 CJAARN Cc1nc2cc(NC(=O)c3ccc(C(C)C)cc3)ccc2o1 ZINC000012728902 170505733 /nfs/dbraw/zinc/50/57/33/170505733.db2.gz VOVMZSLPHDPWRR-UHFFFAOYSA-N 0 0 294.354 4.512 50 0 CJAARN CCc1ccc(Nc2nnc(-c3ccccc3)s2)cc1 ZINC000012739694 170506697 /nfs/dbraw/zinc/50/66/97/170506697.db2.gz YHEABULENZEYEC-UHFFFAOYSA-N 0 0 281.384 4.511 50 0 CJAARN O=C(Nc1cc(Cl)ccc1F)c1cccc2ccccc21 ZINC000012745079 170507151 /nfs/dbraw/zinc/50/71/51/170507151.db2.gz CZPMSPLACKRYLM-UHFFFAOYSA-N 0 0 299.732 4.885 50 0 CJAARN C[C@@H](Nc1ncnc2sccc21)c1ccccc1Cl ZINC000012748250 570334038 /nfs/dbraw/zinc/33/40/38/570334038.db2.gz VQNKKNYXWFJMTH-SECBINFHSA-N 0 0 289.791 4.518 50 0 CJAARN C[C@H](Nc1ncnc2sccc21)c1ccccc1Cl ZINC000012748256 170507506 /nfs/dbraw/zinc/50/75/06/170507506.db2.gz VQNKKNYXWFJMTH-VIFPVBQESA-N 0 0 289.791 4.518 50 0 CJAARN CC(C)c1ccccc1NC(=O)c1cc(Cl)ccc1F ZINC000012749474 570334982 /nfs/dbraw/zinc/33/49/82/570334982.db2.gz XTORHPASGDJVEO-UHFFFAOYSA-N 0 0 291.753 4.855 50 0 CJAARN CN(C(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 ZINC000012753590 170507406 /nfs/dbraw/zinc/50/74/06/170507406.db2.gz ZQCRCGNYLFFRPU-UHFFFAOYSA-N 0 0 299.439 4.684 50 0 CJAARN Cc1c2ccccc2sc1C(=O)N(C)C1CCCCC1 ZINC000012758622 570336812 /nfs/dbraw/zinc/33/68/12/570336812.db2.gz IWHUFZMFNKCZCH-UHFFFAOYSA-N 0 0 287.428 4.614 50 0 CJAARN Cc1ccc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000012766935 566882465 /nfs/dbraw/zinc/88/24/65/566882465.db2.gz KBVPNTYQVIKKQE-CYBMUJFWSA-N 0 0 295.407 4.840 50 0 CJAARN Cc1ccc(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000012766939 566883415 /nfs/dbraw/zinc/88/34/15/566883415.db2.gz KBVPNTYQVIKKQE-ZDUSSCGKSA-N 0 0 295.407 4.840 50 0 CJAARN Cc1csc(Sc2nc(-c3ccccc3)cs2)n1 ZINC000012767560 566883520 /nfs/dbraw/zinc/88/35/20/566883520.db2.gz OKLVPAORKBVGBS-UHFFFAOYSA-N 0 0 290.438 4.726 50 0 CJAARN CSc1ccccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000012770403 170508916 /nfs/dbraw/zinc/50/89/16/170508916.db2.gz IEYDOGMTAXBFIK-CYBMUJFWSA-N 0 0 285.412 4.541 50 0 CJAARN CSc1ccccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000012770407 566886551 /nfs/dbraw/zinc/88/65/51/566886551.db2.gz IEYDOGMTAXBFIK-ZDUSSCGKSA-N 0 0 285.412 4.541 50 0 CJAARN C[C@@H](Sc1ncnc2sccc21)c1ccccc1 ZINC000012771908 566884299 /nfs/dbraw/zinc/88/42/99/566884299.db2.gz AENVAESOACHLQB-SNVBAGLBSA-N 0 0 272.398 4.545 50 0 CJAARN C[C@H](Sc1ncnc2sccc21)c1ccccc1 ZINC000012771913 566885121 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O=C(Nc1ccc2c(c1)-c1ccccc1C2)C1CCCCC1 ZINC000013987940 570223048 /nfs/dbraw/zinc/22/30/48/570223048.db2.gz MPGBBMHGCYOSMJ-UHFFFAOYSA-N 0 0 291.394 4.777 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 ZINC000014063694 570364957 /nfs/dbraw/zinc/36/49/57/570364957.db2.gz HIATVJHAZCQSKZ-LLVKDONJSA-N 0 0 286.400 4.510 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 ZINC000014063696 570365012 /nfs/dbraw/zinc/36/50/12/570365012.db2.gz HIATVJHAZCQSKZ-NSHDSACASA-N 0 0 286.400 4.510 50 0 CJAARN Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1F ZINC000014170994 567868316 /nfs/dbraw/zinc/86/83/16/567868316.db2.gz NOAJTZKNVJMPKQ-UHFFFAOYSA-N 0 0 279.314 4.540 50 0 CJAARN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1F ZINC000014181512 567022894 /nfs/dbraw/zinc/02/28/94/567022894.db2.gz YGQJRWLCLZECSB-UHFFFAOYSA-N 0 0 271.335 4.510 50 0 CJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000014181659 170622151 /nfs/dbraw/zinc/62/21/51/170622151.db2.gz PILWNRSYIANKMM-OKILXGFUSA-N 0 0 299.439 4.533 50 0 CJAARN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1F ZINC000014196879 567868725 /nfs/dbraw/zinc/86/87/25/567868725.db2.gz ASMWEIUVYJLTGG-UHFFFAOYSA-N 0 0 279.314 4.540 50 0 CJAARN c1ccc2c(c1)cccc2CN1CCCc2ccccc21 ZINC000014217195 567022867 /nfs/dbraw/zinc/02/28/67/567022867.db2.gz CGAYIDMVDWEISF-UHFFFAOYSA-N 0 0 273.379 4.793 50 0 CJAARN Cc1occc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000014228144 170626613 /nfs/dbraw/zinc/62/66/13/170626613.db2.gz RDUVXVPIOJJGGZ-UHFFFAOYSA-N 0 0 293.322 4.633 50 0 CJAARN Cc1ccc(-c2csc(NCc3ccco3)n2)c(C)c1 ZINC000014229315 170626905 /nfs/dbraw/zinc/62/69/05/170626905.db2.gz QIQIRFCXHFPGLJ-UHFFFAOYSA-N 0 0 284.384 4.632 50 0 CJAARN Clc1ccccc1-c1csc(-c2ccccn2)n1 ZINC000014236524 567868921 /nfs/dbraw/zinc/86/89/21/567868921.db2.gz YYDSXWTVOVFQLO-UHFFFAOYSA-N 0 0 272.760 4.526 50 0 CJAARN Cc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)c(C)c1 ZINC000014236547 567868825 /nfs/dbraw/zinc/86/88/25/567868825.db2.gz HJTLIRIFPSOGDN-UHFFFAOYSA-N 0 0 297.379 4.505 50 0 CJAARN Cc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)cc1 ZINC000014241615 570287125 /nfs/dbraw/zinc/28/71/25/570287125.db2.gz VRWRJSPWXSUCSV-UHFFFAOYSA-N 0 0 285.343 4.630 50 0 CJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1 ZINC000014244309 567868770 /nfs/dbraw/zinc/86/87/70/567868770.db2.gz XONQUKBFTVOLHA-UHFFFAOYSA-N 0 0 296.414 4.648 50 0 CJAARN CCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000014258252 170630333 /nfs/dbraw/zinc/63/03/33/170630333.db2.gz HLFORLISSPNKSP-UHFFFAOYSA-N 0 0 294.181 4.808 50 0 CJAARN CC(C)(C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000014258491 567917071 /nfs/dbraw/zinc/91/70/71/567917071.db2.gz WMGBYCABAUPEMX-UHFFFAOYSA-N 0 0 267.328 4.571 50 0 CJAARN CC(C)c1cccc(NC(=O)c2cccc3ncccc32)c1 ZINC000014347689 170632307 /nfs/dbraw/zinc/63/23/07/170632307.db2.gz GVBRNPRYYWKKAD-UHFFFAOYSA-N 0 0 290.366 4.611 50 0 CJAARN Cc1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014426188 570366316 /nfs/dbraw/zinc/36/63/16/570366316.db2.gz UZDYKIHIZZWSQJ-UHFFFAOYSA-N 0 0 286.183 4.616 50 0 CJAARN CCc1cc(C(=O)Nc2c(C)cc(C)cc2C)sc1C ZINC000014426401 570366305 /nfs/dbraw/zinc/36/63/05/570366305.db2.gz XSLDTVFVJMHHIL-UHFFFAOYSA-N 0 0 287.428 4.796 50 0 CJAARN CC[C@@H](C)[C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000014427707 170633823 /nfs/dbraw/zinc/63/38/23/170633823.db2.gz FUUPTCXPSHVOLR-CXAGYDPISA-N 0 0 285.362 4.594 50 0 CJAARN CC[C@H](C)[C@@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000014427708 567917265 /nfs/dbraw/zinc/91/72/65/567917265.db2.gz FUUPTCXPSHVOLR-SUMWQHHRSA-N 0 0 285.362 4.594 50 0 CJAARN CC[C@@H](C)[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000014427709 567917349 /nfs/dbraw/zinc/91/73/49/567917349.db2.gz FUUPTCXPSHVOLR-DYVFJYSZSA-N 0 0 285.362 4.594 50 0 CJAARN CC[C@H](C)[C@H](C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000014427710 170633650 /nfs/dbraw/zinc/63/36/50/170633650.db2.gz FUUPTCXPSHVOLR-GUYCJALGSA-N 0 0 285.362 4.594 50 0 CJAARN O=C1CCCC/C=C/CCCCCCCCCO1 ZINC000014454692 570224106 /nfs/dbraw/zinc/22/41/06/570224106.db2.gz HMWPDRYGIBLSHB-GQCTYLIASA-N 0 0 252.398 4.781 50 0 endogenous,in-man CJAARN O=C(CCC1CCCCC1)Nc1cccc2cccnc21 ZINC000014517811 170636685 /nfs/dbraw/zinc/63/66/85/170636685.db2.gz CDTFWVRNJGJUNQ-UHFFFAOYSA-N 0 0 282.387 4.534 50 0 CJAARN Nc1ccccc1Oc1ccccc1-c1ccccc1 ZINC000014629136 567869144 /nfs/dbraw/zinc/86/91/44/567869144.db2.gz SDXVLJIIPGSHLW-UHFFFAOYSA-N 0 0 261.324 4.728 50 0 CJAARN Nc1ccccc1Oc1ccccc1Cc1ccccc1 ZINC000014629144 567869276 /nfs/dbraw/zinc/86/92/76/567869276.db2.gz HUAHNNVAYIHTJA-UHFFFAOYSA-N 0 0 275.351 4.652 50 0 CJAARN Nc1ccccc1Oc1ccc(-c2ccccc2)cc1 ZINC000014629165 567869375 /nfs/dbraw/zinc/86/93/75/567869375.db2.gz PGNWDUBIRDLVFT-UHFFFAOYSA-N 0 0 261.324 4.728 50 0 CJAARN Nc1ccccc1Oc1ccc(Cc2ccccc2)cc1 ZINC000014629175 567869199 /nfs/dbraw/zinc/86/91/99/567869199.db2.gz QMIQLBUKBOXKNI-UHFFFAOYSA-N 0 0 275.351 4.652 50 0 CJAARN Nc1ccccc1Oc1ccc(Cl)c2ccccc12 ZINC000014629182 170639260 /nfs/dbraw/zinc/63/92/60/170639260.db2.gz ZUIPPTDZYFDZMB-UHFFFAOYSA-N 0 0 269.731 4.868 50 0 CJAARN Nc1cccc(Cl)c1OCc1cccc2ccccc21 ZINC000014629208 567869365 /nfs/dbraw/zinc/86/93/65/567869365.db2.gz OSQURHYMKYBGMA-UHFFFAOYSA-N 0 0 283.758 4.654 50 0 CJAARN Cc1ccc(Cl)c(Oc2c(N)cccc2Cl)c1 ZINC000014629236 170639587 /nfs/dbraw/zinc/63/95/87/170639587.db2.gz KPCUSJHDICUJMN-UHFFFAOYSA-N 0 0 268.143 4.676 50 0 CJAARN CC(C)c1ccccc1Oc1c(N)cccc1Cl ZINC000014629242 170639517 /nfs/dbraw/zinc/63/95/17/170639517.db2.gz DEHRWVWHPPXWIV-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Nc1cccc(Cl)c1Oc1ccc(F)c(Cl)c1 ZINC000014629259 567869289 /nfs/dbraw/zinc/86/92/89/567869289.db2.gz UOURRDOZYOBKFC-UHFFFAOYSA-N 0 0 272.106 4.507 50 0 CJAARN CC(C)c1cccc(Oc2c(N)cccc2Cl)c1 ZINC000014629268 567869186 /nfs/dbraw/zinc/86/91/86/567869186.db2.gz PKKAQLGCDFBVIB-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Cc1cc(Oc2c(N)cccc2Cl)ccc1Cl ZINC000014629275 170639725 /nfs/dbraw/zinc/63/97/25/170639725.db2.gz JGHVUSNTJRTPAH-UHFFFAOYSA-N 0 0 268.143 4.676 50 0 CJAARN Cc1cc(Oc2c(N)cccc2Cl)cc(C)c1Cl ZINC000014629277 567869288 /nfs/dbraw/zinc/86/92/88/567869288.db2.gz XJTNQWXGZYMDIP-UHFFFAOYSA-N 0 0 282.170 4.985 50 0 CJAARN CC(C)c1ccc(Oc2c(N)cccc2Cl)cc1 ZINC000014629286 567869171 /nfs/dbraw/zinc/86/91/71/567869171.db2.gz FMBWABIQPXFXEX-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Nc1cccc(Cl)c1Oc1cccc2ccccc21 ZINC000014629301 567869166 /nfs/dbraw/zinc/86/91/66/567869166.db2.gz PNZAQHFOZGZINO-UHFFFAOYSA-N 0 0 269.731 4.868 50 0 CJAARN Nc1cccc(Cl)c1Oc1ccc2ccccc2c1 ZINC000014629305 567869323 /nfs/dbraw/zinc/86/93/23/567869323.db2.gz QGUHRGRMPZNYEE-UHFFFAOYSA-N 0 0 269.731 4.868 50 0 CJAARN Nc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000014629335 567869160 /nfs/dbraw/zinc/86/91/60/567869160.db2.gz FFOFBYIFVGHVBO-UHFFFAOYSA-N 0 0 283.758 4.654 50 0 CJAARN Cc1ccc(Cl)c(Oc2ccc(Cl)cc2N)c1 ZINC000014629359 567869153 /nfs/dbraw/zinc/86/91/53/567869153.db2.gz QZPSQIXOVJCWFK-UHFFFAOYSA-N 0 0 268.143 4.676 50 0 CJAARN CC(C)c1ccccc1Oc1ccc(Cl)cc1N ZINC000014629366 567869147 /nfs/dbraw/zinc/86/91/47/567869147.db2.gz GEMWKGHTMCHDHU-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Nc1cc(Cl)ccc1Oc1ccc(F)c(Cl)c1 ZINC000014629382 567869286 /nfs/dbraw/zinc/86/92/86/567869286.db2.gz PQRUUJCAYKJBBM-UHFFFAOYSA-N 0 0 272.106 4.507 50 0 CJAARN CC(C)c1cccc(Oc2ccc(Cl)cc2N)c1 ZINC000014629393 567869143 /nfs/dbraw/zinc/86/91/43/567869143.db2.gz UEXLPHWMOPEBCH-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Cc1cc(Oc2ccc(Cl)cc2N)cc(C)c1Cl ZINC000014629401 567869132 /nfs/dbraw/zinc/86/91/32/567869132.db2.gz MGBFXRZKNPFFJT-UHFFFAOYSA-N 0 0 282.170 4.985 50 0 CJAARN CC(C)c1ccc(Oc2ccc(Cl)cc2N)cc1 ZINC000014629409 567869347 /nfs/dbraw/zinc/86/93/47/567869347.db2.gz HDDJDWKYTQOAMN-UHFFFAOYSA-N 0 0 261.752 4.838 50 0 CJAARN Nc1cc(Cl)ccc1Oc1cccc2ccccc21 ZINC000014629425 567869151 /nfs/dbraw/zinc/86/91/51/567869151.db2.gz HWVRJYVKJOSWCY-UHFFFAOYSA-N 0 0 269.731 4.868 50 0 CJAARN Nc1cc(C(F)(F)F)ccc1OCCC1CCCCC1 ZINC000014629439 567869124 /nfs/dbraw/zinc/86/91/24/567869124.db2.gz WREMNZKRKUWBEB-UHFFFAOYSA-N 0 0 287.325 4.637 50 0 CJAARN Cc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1C ZINC000014629481 567869212 /nfs/dbraw/zinc/86/92/12/567869212.db2.gz JTFMQUIVWKKZIP-UHFFFAOYSA-N 0 0 281.277 4.697 50 0 CJAARN Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(C)c1 ZINC000014629482 567869254 /nfs/dbraw/zinc/86/92/54/567869254.db2.gz GOLGBZMNBPUEPD-UHFFFAOYSA-N 0 0 281.277 4.697 50 0 CJAARN Cc1ccc(C)c(Oc2ccc(C(F)(F)F)cc2N)c1 ZINC000014629486 170639908 /nfs/dbraw/zinc/63/99/08/170639908.db2.gz UOITXKZEDUPSEZ-UHFFFAOYSA-N 0 0 281.277 4.697 50 0 CJAARN CCc1ccccc1Oc1ccc(C(F)(F)F)cc1N ZINC000014629487 567869210 /nfs/dbraw/zinc/86/92/10/567869210.db2.gz WARPQONXQJYCMF-UHFFFAOYSA-N 0 0 281.277 4.642 50 0 CJAARN Cc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1C ZINC000014629504 567869299 /nfs/dbraw/zinc/86/92/99/567869299.db2.gz DSIYNDFOSHLWLX-UHFFFAOYSA-N 0 0 281.277 4.697 50 0 CJAARN Cc1cc(C)cc(Oc2ccc(C(F)(F)F)cc2N)c1 ZINC000014629505 567869185 /nfs/dbraw/zinc/86/91/85/567869185.db2.gz UCXNTABIUVCKNC-UHFFFAOYSA-N 0 0 281.277 4.697 50 0 CJAARN CCc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1 ZINC000014629528 170639701 /nfs/dbraw/zinc/63/97/01/170639701.db2.gz CISWBUSKFOGCAB-UHFFFAOYSA-N 0 0 281.277 4.642 50 0 CJAARN Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CCC2 ZINC000014629529 567869182 /nfs/dbraw/zinc/86/91/82/567869182.db2.gz DNGWWKBYBDCUHJ-UHFFFAOYSA-N 0 0 293.288 4.569 50 0 CJAARN Cc1ccc(Oc2cc(C(C)C)ccc2C)c(N)c1 ZINC000014629601 567869301 /nfs/dbraw/zinc/86/93/01/567869301.db2.gz LVPDZHZIVPJPAJ-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1ccc(Oc2ccccc2Cc2ccccc2)c(N)c1 ZINC000014629605 567869358 /nfs/dbraw/zinc/86/93/58/567869358.db2.gz ACRQTXHEXLTFCI-UHFFFAOYSA-N 0 0 289.378 4.960 50 0 CJAARN Cc1ccc(Oc2cccc(C(C)(C)C)c2)c(N)c1 ZINC000014629619 567869180 /nfs/dbraw/zinc/86/91/80/567869180.db2.gz CKTPAHQSTQUNIK-UHFFFAOYSA-N 0 0 255.361 4.667 50 0 CJAARN Cc1ccc(Oc2cc(C)ccc2C(C)C)c(N)c1 ZINC000014629627 567869163 /nfs/dbraw/zinc/86/91/63/567869163.db2.gz IEVRPDISRCGAAX-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1ccc(Oc2cc(C)c(Cl)c(C)c2)c(N)c1 ZINC000014629630 170639696 /nfs/dbraw/zinc/63/96/96/170639696.db2.gz RVUOHTCPBWVDKY-UHFFFAOYSA-N 0 0 261.752 4.640 50 0 CJAARN Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000014629635 170639698 /nfs/dbraw/zinc/63/96/98/170639698.db2.gz VFUVQJOBQOOQJF-UHFFFAOYSA-N 0 0 255.361 4.667 50 0 CJAARN CC[C@@H](C)c1ccc(Oc2ccc(C)cc2N)cc1 ZINC000014629641 567869198 /nfs/dbraw/zinc/86/91/98/567869198.db2.gz DLFSEMACMMKOEY-CYBMUJFWSA-N 0 0 255.361 4.883 50 0 CJAARN CC[C@H](C)c1ccc(Oc2ccc(C)cc2N)cc1 ZINC000014629642 567869217 /nfs/dbraw/zinc/86/92/17/567869217.db2.gz DLFSEMACMMKOEY-ZDUSSCGKSA-N 0 0 255.361 4.883 50 0 CJAARN Cc1ccc(Oc2ccc(Cc3ccccc3)cc2)c(N)c1 ZINC000014629646 567869167 /nfs/dbraw/zinc/86/91/67/567869167.db2.gz BGTTWDPFAVGERU-UHFFFAOYSA-N 0 0 289.378 4.960 50 0 CJAARN Cc1ccc(N)c(Oc2cc(C(C)C)ccc2C)c1 ZINC000014629738 567869155 /nfs/dbraw/zinc/86/91/55/567869155.db2.gz YLCQAJUXKTZZJF-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1ccc(N)c(Oc2ccccc2Cc2ccccc2)c1 ZINC000014629742 170639763 /nfs/dbraw/zinc/63/97/63/170639763.db2.gz XXGIHYKSBYCBFM-UHFFFAOYSA-N 0 0 289.378 4.960 50 0 CJAARN Cc1ccc(N)c(Oc2cccc(C(C)(C)C)c2)c1 ZINC000014629757 567869353 /nfs/dbraw/zinc/86/93/53/567869353.db2.gz NBGLSYMXIKXRSR-UHFFFAOYSA-N 0 0 255.361 4.667 50 0 CJAARN Cc1ccc(N)c(Oc2cc(C)ccc2C(C)C)c1 ZINC000014629766 567869149 /nfs/dbraw/zinc/86/91/49/567869149.db2.gz YDGVSVQTFRVCMN-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1ccc(N)c(Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000014629772 170639765 /nfs/dbraw/zinc/63/97/65/170639765.db2.gz DYOLXPJCPXUSFQ-UHFFFAOYSA-N 0 0 261.752 4.640 50 0 CJAARN Cc1ccc(N)c(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014629781 170639938 /nfs/dbraw/zinc/63/99/38/170639938.db2.gz SLLHAPGWINJLQB-UHFFFAOYSA-N 0 0 255.361 4.667 50 0 CJAARN CC[C@@H](C)c1ccc(Oc2cc(C)ccc2N)cc1 ZINC000014629786 567869309 /nfs/dbraw/zinc/86/93/09/567869309.db2.gz FIDUJCPMGCNJPO-CYBMUJFWSA-N 0 0 255.361 4.883 50 0 CJAARN CC[C@H](C)c1ccc(Oc2cc(C)ccc2N)cc1 ZINC000014629788 567869169 /nfs/dbraw/zinc/86/91/69/567869169.db2.gz FIDUJCPMGCNJPO-ZDUSSCGKSA-N 0 0 255.361 4.883 50 0 CJAARN Cc1ccc(N)c(Oc2ccc(Cc3ccccc3)cc2)c1 ZINC000014629794 567869197 /nfs/dbraw/zinc/86/91/97/567869197.db2.gz VUFRCIVPZGNVPS-UHFFFAOYSA-N 0 0 289.378 4.960 50 0 CJAARN Nc1cc(F)ccc1Oc1ccccc1-c1ccccc1 ZINC000014629883 567869222 /nfs/dbraw/zinc/86/92/22/567869222.db2.gz SRQQZVKAGCEJDZ-UHFFFAOYSA-N 0 0 279.314 4.867 50 0 CJAARN Cc1ccc(C(C)C)cc1Oc1ccc(F)cc1N ZINC000014629893 567869380 /nfs/dbraw/zinc/86/93/80/567869380.db2.gz TUXHPKMXJROVDQ-UHFFFAOYSA-N 0 0 259.324 4.632 50 0 CJAARN Nc1cc(F)ccc1Oc1ccccc1Cc1ccccc1 ZINC000014629898 567869298 /nfs/dbraw/zinc/86/92/98/567869298.db2.gz OMLBBKKITBHNSD-UHFFFAOYSA-N 0 0 293.341 4.791 50 0 CJAARN Cc1ccc(C(C)C)c(Oc2ccc(F)cc2N)c1 ZINC000014629928 170639946 /nfs/dbraw/zinc/63/99/46/170639946.db2.gz ODJVQUWAONZUOJ-UHFFFAOYSA-N 0 0 259.324 4.632 50 0 CJAARN Nc1cc(F)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000014629943 567869240 /nfs/dbraw/zinc/86/92/40/567869240.db2.gz VYPOKFQIZCAUHR-UHFFFAOYSA-N 0 0 279.314 4.867 50 0 CJAARN CCC(C)(C)c1ccc(Oc2ccc(F)cc2N)cc1 ZINC000014629949 567869109 /nfs/dbraw/zinc/86/91/09/567869109.db2.gz CJMJLTHLPVYVKJ-UHFFFAOYSA-N 0 0 273.351 4.888 50 0 CJAARN CC[C@@H](C)c1ccc(Oc2ccc(F)cc2N)cc1 ZINC000014629953 567869234 /nfs/dbraw/zinc/86/92/34/567869234.db2.gz WTPTZMOVXZMNEY-LLVKDONJSA-N 0 0 259.324 4.714 50 0 CJAARN CC[C@H](C)c1ccc(Oc2ccc(F)cc2N)cc1 ZINC000014629955 170639705 /nfs/dbraw/zinc/63/97/05/170639705.db2.gz WTPTZMOVXZMNEY-NSHDSACASA-N 0 0 259.324 4.714 50 0 CJAARN Nc1cc(F)ccc1Oc1ccc(Cc2ccccc2)cc1 ZINC000014629961 567869148 /nfs/dbraw/zinc/86/91/48/567869148.db2.gz RAIFSVJBGGLYMY-UHFFFAOYSA-N 0 0 293.341 4.791 50 0 CJAARN Nc1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000014630010 170639909 /nfs/dbraw/zinc/63/99/09/170639909.db2.gz MGXIUQGSCALWEN-UHFFFAOYSA-N 0 0 283.758 4.654 50 0 CJAARN Cc1ccc(Cl)c(Oc2ccc(N)cc2Cl)c1 ZINC000014630033 567869203 /nfs/dbraw/zinc/86/92/03/567869203.db2.gz UUCOEPVEHSEHLA-UHFFFAOYSA-N 0 0 268.143 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Nc1ccc(Oc2ccc(Cc3ccccc3)cc2)c(F)c1 ZINC000014630726 567869453 /nfs/dbraw/zinc/86/94/53/567869453.db2.gz DTLNBJAKCQJBPN-UHFFFAOYSA-N 0 0 293.341 4.791 50 0 CJAARN Cc1cc(Oc2cc(C(C)C)ccc2C)ccc1N ZINC000014630824 170640266 /nfs/dbraw/zinc/64/02/66/170640266.db2.gz XFWAKRQUBYOOLJ-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1cc(Oc2ccccc2Cc2ccccc2)ccc1N ZINC000014630828 567869586 /nfs/dbraw/zinc/86/95/86/567869586.db2.gz YULJWKXBCSIZOW-UHFFFAOYSA-N 0 0 289.378 4.960 50 0 CJAARN Cc1cc(Oc2cccc(C(C)(C)C)c2)ccc1N ZINC000014630845 567869437 /nfs/dbraw/zinc/86/94/37/567869437.db2.gz WQTWCUCXZAXRKR-UHFFFAOYSA-N 0 0 255.361 4.667 50 0 CJAARN Cc1ccc(C(C)C)c(Oc2ccc(N)c(C)c2)c1 ZINC000014630855 567869401 /nfs/dbraw/zinc/86/94/01/567869401.db2.gz LUEJNCYDQUPZRI-UHFFFAOYSA-N 0 0 255.361 4.801 50 0 CJAARN Cc1cc(Oc2cc(C)c(Cl)c(C)c2)ccc1N ZINC000014630862 567869578 /nfs/dbraw/zinc/86/95/78/567869578.db2.gz YUWCZCSKPUESJT-UHFFFAOYSA-N 0 0 261.752 4.640 50 0 CJAARN Cc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1N 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/nfs/dbraw/zinc/68/99/86/170689986.db2.gz PCRLDGBPDPBSHT-UHFFFAOYSA-N 0 0 298.455 4.915 50 0 CJAARN CC(C)c1ccc(NC(=S)N(C)c2ccccc2)cc1 ZINC000016211775 567872147 /nfs/dbraw/zinc/87/21/47/567872147.db2.gz NJONDSQSNDGFFS-UHFFFAOYSA-N 0 0 284.428 4.643 50 0 CJAARN CCN(C(=S)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000016211821 170690180 /nfs/dbraw/zinc/69/01/80/170690180.db2.gz NXSLBOXZXBCCRR-UHFFFAOYSA-N 0 0 284.428 4.527 50 0 CJAARN CCN(Cc1ccccc1)C(=S)Nc1ccc(C)cc1C ZINC000016237883 566937383 /nfs/dbraw/zinc/93/73/83/566937383.db2.gz SROBONFZWSGEDE-UHFFFAOYSA-N 0 0 298.455 4.522 50 0 CJAARN Cc1c2ccccc2sc1-c1cnc2ccccc2n1 ZINC000016266677 567872135 /nfs/dbraw/zinc/87/21/35/567872135.db2.gz PLEOIGBGOYDSHP-UHFFFAOYSA-N 0 0 276.364 4.820 50 0 CJAARN Clc1cccc(Cl)c1-c1nc(-c2ccccc2)no1 ZINC000016267718 567872553 /nfs/dbraw/zinc/87/25/53/567872553.db2.gz YDOYWHLTXOAODA-UHFFFAOYSA-N 0 0 291.137 4.710 50 0 CJAARN Cc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000016349697 567872512 /nfs/dbraw/zinc/87/25/12/567872512.db2.gz IGHYVQQOEYQPMI-UHFFFAOYSA-N 0 0 294.276 4.658 50 0 CJAARN CCCCCn1c2ccccc2nc1NCc1cccs1 ZINC000016361754 567872544 /nfs/dbraw/zinc/87/25/44/567872544.db2.gz WHNUIJKIUKRIFJ-UHFFFAOYSA-N 0 0 299.443 4.900 50 0 CJAARN Cc1cccc2cc(-c3ccc(Br)cc3)cn21 ZINC000016362502 170695240 /nfs/dbraw/zinc/69/52/40/170695240.db2.gz YNKMDXWETLFLIG-UHFFFAOYSA-N 0 0 286.172 4.677 50 0 CJAARN CCN(C(=O)c1oc2cc(C)ccc2c1C)c1ccccc1 ZINC000016391728 256873744 /nfs/dbraw/zinc/87/37/44/256873744.db2.gz GPRKPPPZVAFVBY-UHFFFAOYSA-N 0 0 293.366 4.716 50 0 CJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1(C)C ZINC000016469957 170698386 /nfs/dbraw/zinc/69/83/86/170698386.db2.gz GEDBEQYXAIMXFV-RISCZKNCSA-N 0 0 295.785 4.656 50 0 CJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2F)C1(C)C ZINC000016469958 566964390 /nfs/dbraw/zinc/96/43/90/566964390.db2.gz GEDBEQYXAIMXFV-FZMZJTMJSA-N 0 0 295.785 4.656 50 0 CJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2F)C1(C)C ZINC000016469959 566963687 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170705377 /nfs/dbraw/zinc/70/53/77/170705377.db2.gz HDPFJNHRRLYGLW-KBMXLJTQSA-N 0 0 275.392 4.696 50 0 CJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Nc1ccccc1 ZINC000016608672 567873319 /nfs/dbraw/zinc/87/33/19/567873319.db2.gz HDPFJNHRRLYGLW-BMFZPTHFSA-N 0 0 275.392 4.696 50 0 CJAARN C[C@@H]1CCC[C@H](C)N1C(=O)Nc1cccc2ccccc21 ZINC000016608844 566914325 /nfs/dbraw/zinc/91/43/25/566914325.db2.gz WCZFJJHHNGICDQ-OKILXGFUSA-N 0 0 282.387 4.635 50 0 CJAARN CSc1cccc(NC(=O)Nc2ccccc2Cl)c1 ZINC000016622563 566873743 /nfs/dbraw/zinc/87/37/43/566873743.db2.gz BHHPZIBHHIKOFE-UHFFFAOYSA-N 0 0 292.791 4.706 50 0 CJAARN C(=C/c1nnc(-c2ccccc2)o1)\c1cc2ccccc2o1 ZINC000016622989 567873368 /nfs/dbraw/zinc/87/33/68/567873368.db2.gz LEZORDGYUHVMPF-ZHACJKMWSA-N 0 0 288.306 4.653 50 0 CJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccsc1 ZINC000016623997 566875449 /nfs/dbraw/zinc/87/54/49/566875449.db2.gz RPRMGVPLFIELFP-UHFFFAOYSA-N 0 0 294.379 4.744 50 0 CJAARN CCc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 ZINC000016626551 170706350 /nfs/dbraw/zinc/70/63/50/170706350.db2.gz IKORSRGYTGTTNV-UHFFFAOYSA-N 0 0 293.366 4.680 50 0 CJAARN Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000016648423 566979655 /nfs/dbraw/zinc/97/96/55/566979655.db2.gz QGNXKIRWSQZUJN-QGTPRVQTSA-N 0 0 299.801 4.893 50 0 CJAARN O=C(CCNc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000016648908 566877370 /nfs/dbraw/zinc/87/73/70/566877370.db2.gz OKVXXTFDUIIMAT-UHFFFAOYSA-N 0 0 299.757 4.771 50 0 CJAARN COc1ccc(CNc2ccc(F)cc2)c2ccccc12 ZINC000016663167 170707921 /nfs/dbraw/zinc/70/79/21/170707921.db2.gz PAOADTAUWAABHT-UHFFFAOYSA-N 0 0 281.330 4.600 50 0 CJAARN Cc1cc(N2CCCC[C@H]2C)nc2cc(Cl)ccc12 ZINC000016667598 567873329 /nfs/dbraw/zinc/87/33/29/567873329.db2.gz ZQHLFLNEKYHYAR-GFCCVEGCSA-N 0 0 274.795 4.575 50 0 CJAARN Cc1cc(N2CCCC[C@@H]2C)nc2cc(Cl)ccc12 ZINC000016667599 134696538 /nfs/dbraw/zinc/69/65/38/134696538.db2.gz ZQHLFLNEKYHYAR-LBPRGKRZSA-N 0 0 274.795 4.575 50 0 CJAARN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc2cc(Cl)ccc12 ZINC000016667818 567873372 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/nfs/dbraw/zinc/87/37/85/567873785.db2.gz OJKFWXNRBKESAI-UHFFFAOYSA-N 0 0 288.188 4.986 50 0 CJAARN Brc1cccc(-c2nccc3ccccc32)c1 ZINC000016698256 567873760 /nfs/dbraw/zinc/87/37/60/567873760.db2.gz HERDQHZXYBPTOL-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN Brc1ccc(-c2nccc3ccccc32)cc1 ZINC000016698258 567873635 /nfs/dbraw/zinc/87/36/35/567873635.db2.gz KKFQHKICIHIVKP-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN Cc1ccc2[nH+]c(C)cc(NC3CCCCC3)c2c1 ZINC000016740170 570367359 /nfs/dbraw/zinc/36/73/59/570367359.db2.gz NTXBUDIDDDGBMK-UHFFFAOYSA-N 0 0 254.377 4.596 50 0 CJAARN Cc1ccc2occ(CC(=O)Nc3cc(C)ccc3C)c2c1 ZINC000016753215 567873887 /nfs/dbraw/zinc/87/38/87/567873887.db2.gz QLSRUHGIDGDQPK-UHFFFAOYSA-N 0 0 293.366 4.539 50 0 CJAARN CCOC1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000016887775 567027095 /nfs/dbraw/zinc/02/70/95/567027095.db2.gz UXSSNFBLASMLOP-UHFFFAOYSA-N 0 0 286.374 4.995 50 0 CJAARN CC(=O)c1ccc(Nc2ccnc3c(Cl)cccc23)cc1 ZINC000016890798 567873896 /nfs/dbraw/zinc/87/38/96/567873896.db2.gz MQZWDKKYCMPQAE-UHFFFAOYSA-N 0 0 296.757 4.834 50 0 CJAARN Cc1ccc2[nH]c([C@@H](C)Oc3ccc(C)cc3C)nc2c1 ZINC000016903883 567873582 /nfs/dbraw/zinc/87/35/82/567873582.db2.gz NBCQPXHOXFMANU-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccc2[nH]c([C@H](C)Oc3ccc(C)cc3C)nc2c1 ZINC000016903884 567873701 /nfs/dbraw/zinc/87/37/01/567873701.db2.gz NBCQPXHOXFMANU-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccc2[nH]c([C@@H](C)Oc3c(C)cccc3C)nc2c1 ZINC000016903893 567873892 /nfs/dbraw/zinc/87/38/92/567873892.db2.gz IWTCTBTUADFDEC-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccc2[nH]c([C@H](C)Oc3c(C)cccc3C)nc2c1 ZINC000016903895 567873535 /nfs/dbraw/zinc/87/35/35/567873535.db2.gz IWTCTBTUADFDEC-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1cccc2[nH]c([C@@H](C)Oc3ccccc3Cl)nc21 ZINC000016903904 567873758 /nfs/dbraw/zinc/87/37/58/567873758.db2.gz IFYQJCWCCIOQLI-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1cccc2[nH]c([C@H](C)Oc3ccccc3Cl)nc21 ZINC000016903906 567873923 /nfs/dbraw/zinc/87/39/23/567873923.db2.gz IFYQJCWCCIOQLI-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc(C)c(O[C@H](C)c2nc3c(cccc3C)[nH]2)c1 ZINC000016903915 567873845 /nfs/dbraw/zinc/87/38/45/567873845.db2.gz VUGGAIDAHIIWIY-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccc(C)c(O[C@@H](C)c2nc3c(cccc3C)[nH]2)c1 ZINC000016903917 567873610 /nfs/dbraw/zinc/87/36/10/567873610.db2.gz VUGGAIDAHIIWIY-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN CCc1ccc(O[C@@H](C)c2nc3c(cccc3C)[nH]2)cc1 ZINC000016903922 567873755 /nfs/dbraw/zinc/87/37/55/567873755.db2.gz HSWHFGGCMSMEQR-ZDUSSCGKSA-N 0 0 280.371 4.574 50 0 CJAARN CCc1ccc(O[C@H](C)c2nc3c(cccc3C)[nH]2)cc1 ZINC000016903924 567873587 /nfs/dbraw/zinc/87/35/87/567873587.db2.gz HSWHFGGCMSMEQR-CYBMUJFWSA-N 0 0 280.371 4.574 50 0 CJAARN Cc1cccc2[nH]c([C@@H](C)Oc3ccc(C)c(C)c3)nc21 ZINC000016903942 567873731 /nfs/dbraw/zinc/87/37/31/567873731.db2.gz NEJHSLJSRHKQSB-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1cccc2[nH]c([C@H](C)Oc3ccc(C)c(C)c3)nc21 ZINC000016903944 567873909 /nfs/dbraw/zinc/87/39/09/567873909.db2.gz NEJHSLJSRHKQSB-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccccc1O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000016903953 567873936 /nfs/dbraw/zinc/87/39/36/567873936.db2.gz JUVGTIMOFXTWLB-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccccc1O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000016903954 567873558 /nfs/dbraw/zinc/87/35/58/567873558.db2.gz JUVGTIMOFXTWLB-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN CC(C)c1ccc(O[C@@H](C)c2nc3cc(F)ccc3[nH]2)cc1 ZINC000016903974 567873657 /nfs/dbraw/zinc/87/36/57/567873657.db2.gz YRVTUPRQJVGHIG-LBPRGKRZSA-N 0 0 298.361 4.965 50 0 CJAARN CC(C)c1ccc(O[C@H](C)c2nc3cc(F)ccc3[nH]2)cc1 ZINC000016903976 567873641 /nfs/dbraw/zinc/87/36/41/567873641.db2.gz YRVTUPRQJVGHIG-GFCCVEGCSA-N 0 0 298.361 4.965 50 0 CJAARN Cc1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(C)c1 ZINC000016904022 567027865 /nfs/dbraw/zinc/02/78/65/567027865.db2.gz MLUJWXWNOVZULY-OAHLLOKOSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(C)c1 ZINC000016904024 567028285 /nfs/dbraw/zinc/02/82/85/567028285.db2.gz MLUJWXWNOVZULY-HNNXBMFYSA-N 0 0 294.398 4.937 50 0 CJAARN CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1Cl ZINC000016918243 567027763 /nfs/dbraw/zinc/02/77/63/567027763.db2.gz LSEOTUULEJMDMD-PTNGSMBKSA-N 0 0 281.786 4.973 50 0 CJAARN CSc1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000016923294 567026599 /nfs/dbraw/zinc/02/65/99/567026599.db2.gz BLDWJYPPZFJELO-QINSGFPZSA-N 0 0 250.366 4.976 50 0 CJAARN CC(C)C(=O)Nc1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000016925390 567027269 /nfs/dbraw/zinc/02/72/69/567027269.db2.gz LPQNXCDKYBKFED-LGMDPLHJSA-N 0 0 289.378 4.849 50 0 CJAARN Clc1ccccc1/C=C/c1nc2ccccc2o1 ZINC000016931262 566978839 /nfs/dbraw/zinc/97/88/39/566978839.db2.gz JTVKXOCEFWUWPO-MDZDMXLPSA-N 0 0 255.704 4.652 50 0 CJAARN Clc1ccc(-c2csc(NC3CC3)n2)cc1Cl ZINC000016940125 567873999 /nfs/dbraw/zinc/87/39/99/567873999.db2.gz KBADHVVHSNNVID-UHFFFAOYSA-N 0 0 285.199 4.691 50 0 CJAARN Fc1ccc(-c2csc(Cc3ccccc3)n2)c(F)c1 ZINC000016941560 567874003 /nfs/dbraw/zinc/87/40/03/567874003.db2.gz UGFHYWNCYFJVOA-UHFFFAOYSA-N 0 0 287.334 4.679 50 0 CJAARN COc1ccc(-c2nc(-c3ccsc3)sc2C)cc1 ZINC000016941626 567874136 /nfs/dbraw/zinc/87/41/36/567874136.db2.gz VRNQERQRKIYABW-UHFFFAOYSA-N 0 0 287.409 4.856 50 0 CJAARN O=Cc1ccccc1-c1cccc(OCc2ccccc2)c1 ZINC000016946840 567874154 /nfs/dbraw/zinc/87/41/54/567874154.db2.gz AGJBQXFVTDVSCC-UHFFFAOYSA-N 0 0 288.346 4.745 50 0 CJAARN O=Cc1ccccc1-c1ccc(OCc2ccccc2)cc1 ZINC000016946844 567874346 /nfs/dbraw/zinc/87/43/46/567874346.db2.gz GZNCDZJRNRRUAW-UHFFFAOYSA-N 0 0 288.346 4.745 50 0 CJAARN Oc1ccc(-c2cccc(OCc3ccccc3)c2)cc1 ZINC000016946893 567874015 /nfs/dbraw/zinc/87/40/15/567874015.db2.gz RTWVENQAKAFCLA-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Oc1cccc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000016946896 567874057 /nfs/dbraw/zinc/87/40/57/567874057.db2.gz ZAKREHXBTVSZAW-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Oc1ccccc1-c1cccc(OCc2ccccc2)c1 ZINC000016946898 567874058 /nfs/dbraw/zinc/87/40/58/567874058.db2.gz DWBGPRMHBNAGCK-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000016946901 567874296 /nfs/dbraw/zinc/87/42/96/567874296.db2.gz XMABUKPWADGWEW-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Oc1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000016946903 567874006 /nfs/dbraw/zinc/87/40/06/567874006.db2.gz CLNLNMWZWMOMNV-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Oc1ccccc1-c1ccc(OCc2ccccc2)cc1 ZINC000016946906 567874110 /nfs/dbraw/zinc/87/41/10/567874110.db2.gz ZUOHRQAGIOGVFC-UHFFFAOYSA-N 0 0 276.335 4.638 50 0 CJAARN Cc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 ZINC000016992062 570226342 /nfs/dbraw/zinc/22/63/42/570226342.db2.gz BMNUMNGWOVXEBB-UHFFFAOYSA-N 0 0 271.791 4.601 50 0 CJAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1ccccc1 ZINC000017004602 566897876 /nfs/dbraw/zinc/89/78/76/566897876.db2.gz OXBJWQJRPDIJKD-UHFFFAOYSA-N 0 0 297.357 4.862 50 0 CJAARN Cc1c(-c2ccc(C)cc2)nn(C)c1-c1ccc(C)cc1 ZINC000017007609 570226787 /nfs/dbraw/zinc/22/67/87/570226787.db2.gz WOULICGIASYWRX-UHFFFAOYSA-N 0 0 276.383 4.679 50 0 CJAARN CCCCCN(CCCCC)C(=O)NC1CCCCC1 ZINC000017008899 567874560 /nfs/dbraw/zinc/87/45/60/567874560.db2.gz HVJVJYWAXLTBQV-UHFFFAOYSA-N 0 0 282.472 4.711 50 0 CJAARN CCCCc1ccc(NC(=O)/C=C\c2ccc(C)o2)cc1 ZINC000017009020 567874622 /nfs/dbraw/zinc/87/46/22/567874622.db2.gz TYHJDLQBLNMNDA-SEYXRHQNSA-N 0 0 283.371 4.583 50 0 CJAARN CCc1c(C)scc1-c1nnc(-c2ccccc2C)o1 ZINC000017009328 567874638 /nfs/dbraw/zinc/87/46/38/567874638.db2.gz XTWRTOFVRRKVDF-UHFFFAOYSA-N 0 0 284.384 4.644 50 0 CJAARN CCN(N=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000017020169 570234781 /nfs/dbraw/zinc/23/47/81/570234781.db2.gz YIMHZKNXDQIPKK-DTQAZKPQSA-N 0 0 276.339 4.762 50 0 CJAARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(C)n2)cc1C ZINC000017022464 170722103 /nfs/dbraw/zinc/72/21/03/170722103.db2.gz QXTVOLOGZSBSBO-UHFFFAOYSA-N 0 0 290.410 4.988 50 0 CJAARN CCCC[C@@H](CC)CNC(=S)Nc1ccc(C)cc1C ZINC000017023078 170721970 /nfs/dbraw/zinc/72/19/70/170721970.db2.gz WTZNUCVEFGFFGE-OAHLLOKOSA-N 0 0 292.492 4.806 50 0 CJAARN CCCC[C@H](CC)CNC(=S)Nc1ccc(C)cc1C ZINC000017023081 567874585 /nfs/dbraw/zinc/87/45/85/567874585.db2.gz WTZNUCVEFGFFGE-HNNXBMFYSA-N 0 0 292.492 4.806 50 0 CJAARN CCCCN(CCCC)C(=S)Nc1cccc(C)c1C ZINC000017023083 567874538 /nfs/dbraw/zinc/87/45/38/567874538.db2.gz JNQQYORNQJLPPU-UHFFFAOYSA-N 0 0 292.492 4.902 50 0 CJAARN CCCCN(CCCC)C(=S)Nc1cc(C)cc(C)c1 ZINC000017023086 170721857 /nfs/dbraw/zinc/72/18/57/170721857.db2.gz RZLJHWKRRHGCFP-UHFFFAOYSA-N 0 0 292.492 4.902 50 0 CJAARN CC[C@H](C)N(C(=S)Nc1ccc(C)c(C)c1)[C@@H](C)CC ZINC000017023092 567874404 /nfs/dbraw/zinc/87/44/04/567874404.db2.gz TXNLRHIZKQBIGL-GJZGRUSLSA-N 0 0 292.492 4.899 50 0 CJAARN CC[C@@H](C)N(C(=S)Nc1ccc(C)c(C)c1)[C@H](C)CC ZINC000017023094 567874577 /nfs/dbraw/zinc/87/45/77/567874577.db2.gz TXNLRHIZKQBIGL-HUUCEWRRSA-N 0 0 292.492 4.899 50 0 CJAARN CC[C@@H](C)N(C(=S)Nc1ccc(C)c(C)c1)[C@@H](C)CC ZINC000017023097 170722086 /nfs/dbraw/zinc/72/20/86/170722086.db2.gz TXNLRHIZKQBIGL-GASCZTMLSA-N 0 0 292.492 4.899 50 0 CJAARN CCCCc1ccc(NC(=O)N2CCc3ccccc32)cc1 ZINC000017023521 567874695 /nfs/dbraw/zinc/87/46/95/567874695.db2.gz DFHIWPNQHGAOSC-UHFFFAOYSA-N 0 0 294.398 4.624 50 0 CJAARN Cc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)c(C)c1 ZINC000017024122 567874581 /nfs/dbraw/zinc/87/45/81/567874581.db2.gz PXNMCGLUIWFKEN-UHFFFAOYSA-N 0 0 296.439 4.601 50 0 CJAARN CCc1c(C)scc1-c1nnc(-c2cc(C)cc(C)c2)o1 ZINC000017024641 170723226 /nfs/dbraw/zinc/72/32/26/170723226.db2.gz CYUVJTLLGAUGIU-UHFFFAOYSA-N 0 0 298.411 4.953 50 0 CJAARN CCc1c(C)scc1-c1nnc(-c2ccc(C)cc2C)o1 ZINC000017024644 170723451 /nfs/dbraw/zinc/72/34/51/170723451.db2.gz FTSBXXPGUORSRQ-UHFFFAOYSA-N 0 0 298.411 4.953 50 0 CJAARN Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000017024710 567874450 /nfs/dbraw/zinc/87/44/50/567874450.db2.gz GZPSCEAJURGKEM-UHFFFAOYSA-N 0 0 299.324 4.544 50 0 CJAARN C(=C1/CCc2cc3ccccc3nc21)\c1ccccc1 ZINC000017047057 567874573 /nfs/dbraw/zinc/87/45/73/567874573.db2.gz YTSWLKWYRVTRMW-VBKFSLOCSA-N 0 0 257.336 4.722 50 0 CJAARN Cc1ccc([S@](=O)/C(F)=C/c2ccccc2Cl)cc1 ZINC000017111315 567875065 /nfs/dbraw/zinc/87/50/65/567875065.db2.gz KOMISOVCQVDYIA-JVVYVMHDSA-N 0 0 294.778 4.724 50 0 CJAARN COc1ccc(/C(C)=C(\C)c2ccc(OC)cc2)cc1 ZINC000017111751 256856612 /nfs/dbraw/zinc/85/66/12/256856612.db2.gz AVDZRLFBDGAZLP-BUHFOSPRSA-N 0 0 268.356 4.654 50 0 CJAARN CC(C)CCn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000017113193 329505396 /nfs/dbraw/zinc/50/53/96/329505396.db2.gz VAYFOORHAXIWPE-UHFFFAOYSA-N 0 0 297.402 4.861 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)CC1CCCC1 ZINC000017154606 567875067 /nfs/dbraw/zinc/87/50/67/567875067.db2.gz WFSKCFMJHPKICA-ZDUSSCGKSA-N 0 0 259.393 4.719 50 0 CJAARN c1ccc([C@@H]2[C@H](c3ccccc3)N2c2ccccc2)cc1 ZINC000017185114 567875317 /nfs/dbraw/zinc/87/53/17/567875317.db2.gz BHAJUXABDQWRKH-WCRBZPEASA-N 0 0 271.363 4.989 50 0 CJAARN C[C@@H]1O[C@H]2c3cccc4cccc(c34)[C@@H]2N1c1ccccc1 ZINC000017194176 567875183 /nfs/dbraw/zinc/87/51/83/567875183.db2.gz IOLVBAMCRSDABM-MRFFXTKBSA-N 0 0 287.362 4.818 50 0 CJAARN Cc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000017208024 567934976 /nfs/dbraw/zinc/93/49/76/567934976.db2.gz ZFGIEKKMOCOHMD-UHFFFAOYSA-N 0 0 295.411 4.622 50 0 CJAARN C[C@]12CC3CC(c4ccc(O)cc4)(C1)C[C@@](C)(C3)C2 ZINC000017242929 567875298 /nfs/dbraw/zinc/87/52/98/567875298.db2.gz TWSBXJSZMPALGE-DWLODGJJSA-N 0 0 256.389 4.640 50 0 CJAARN Clc1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000017248695 567935167 /nfs/dbraw/zinc/93/51/67/567935167.db2.gz NEGWWFQGOIFNFG-UHFFFAOYSA-N 0 0 295.729 4.773 50 0 CJAARN CCCCn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000017271624 567934988 /nfs/dbraw/zinc/93/49/88/567934988.db2.gz AAWYNAHZAQIODG-UHFFFAOYSA-N 0 0 283.375 4.615 50 0 CJAARN CCCc1nnc(-c2cc3ccccc3n2CCC(C)C)o1 ZINC000017287284 170731898 /nfs/dbraw/zinc/73/18/98/170731898.db2.gz KQSAPVKVMCXPRN-UHFFFAOYSA-N 0 0 297.402 4.690 50 0 CJAARN CCCCCCOC(=O)/C=C(/C)OCCCCCC ZINC000017322479 567875746 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0 0 289.806 4.836 50 0 CJAARN Cc1ccc(O[C@H](C)CNc2ccc(C)c(Cl)c2)cc1 ZINC000019737940 567878891 /nfs/dbraw/zinc/87/88/91/567878891.db2.gz FWUJFHOZYPAHDL-CQSZACIVSA-N 0 0 289.806 4.836 50 0 CJAARN Cc1cccc(O[C@@H](C)CNc2ccc(C)c(Cl)c2)c1 ZINC000019737941 567878852 /nfs/dbraw/zinc/87/88/52/567878852.db2.gz BGICOXPQPZJKQB-AWEZNQCLSA-N 0 0 289.806 4.836 50 0 CJAARN Cc1cccc(O[C@H](C)CNc2ccc(C)c(Cl)c2)c1 ZINC000019737942 567878783 /nfs/dbraw/zinc/87/87/83/567878783.db2.gz BGICOXPQPZJKQB-CQSZACIVSA-N 0 0 289.806 4.836 50 0 CJAARN CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1 ZINC000019737946 567878923 /nfs/dbraw/zinc/87/89/23/567878923.db2.gz CUHDQRGRBAIJQZ-UHFFFAOYSA-N 0 0 275.779 4.659 50 0 CJAARN Cc1cccc(CNc2cccc(Cl)c2Cl)c1 ZINC000019737949 170851132 /nfs/dbraw/zinc/85/11/32/170851132.db2.gz GPJKXNMUMKBQBF-UHFFFAOYSA-N 0 0 266.171 4.914 50 0 CJAARN Clc1cccc(NCC2CCCCC2)c1Cl ZINC000019737950 170850731 /nfs/dbraw/zinc/85/07/31/170850731.db2.gz FMMDDHANKRRSJW-UHFFFAOYSA-N 0 0 258.192 4.986 50 0 CJAARN Cc1cccc(NCCOc2ccc(Cl)c(C)c2)c1C ZINC000019737960 567878719 /nfs/dbraw/zinc/87/87/19/567878719.db2.gz LJRPSSAKHYYGHW-UHFFFAOYSA-N 0 0 289.806 4.756 50 0 CJAARN Cc1cccc(NCCOc2cc(C)ccc2C(C)C)c1 ZINC000019737967 567878796 /nfs/dbraw/zinc/87/87/96/567878796.db2.gz TYINNIMXCDNOQS-UHFFFAOYSA-N 0 0 283.415 4.918 50 0 CJAARN CCCOc1ccccc1CNc1cccc(C)c1C ZINC000019737968 567878870 /nfs/dbraw/zinc/87/88/70/567878870.db2.gz LEVHXYXLKXWAQC-UHFFFAOYSA-N 0 0 269.388 4.704 50 0 CJAARN COc1ccccc1NCc1ccc(-c2ccccc2)cc1 ZINC000019737979 567878921 /nfs/dbraw/zinc/87/89/21/567878921.db2.gz BJKXKTHBQIQDOY-UHFFFAOYSA-N 0 0 289.378 4.974 50 0 CJAARN COc1ccccc1NCc1ccc(C(C)(C)C)cc1 ZINC000019737982 170850988 /nfs/dbraw/zinc/85/09/88/170850988.db2.gz NNYVFXCWAMEAGC-UHFFFAOYSA-N 0 0 269.388 4.605 50 0 CJAARN CCCCCOc1ccccc1CNc1ccccc1OC ZINC000019737984 567878892 /nfs/dbraw/zinc/87/88/92/567878892.db2.gz AUGIDGPZPLQOKG-UHFFFAOYSA-N 0 0 299.414 4.876 50 0 CJAARN COc1ccccc1NCc1cccc(OCCC(C)C)c1 ZINC000019737985 170851008 /nfs/dbraw/zinc/85/10/08/170851008.db2.gz MRLVPRUXQFFPOS-UHFFFAOYSA-N 0 0 299.414 4.732 50 0 CJAARN Cc1cccc(NCc2ccc(OCC(C)C)cc2)c1 ZINC000019737987 567878666 /nfs/dbraw/zinc/87/86/66/567878666.db2.gz USYHHEUWZOUUMU-UHFFFAOYSA-N 0 0 269.388 4.642 50 0 CJAARN CCOc1ccccc1NC[C@@H](CC)Oc1cccc(C)c1 ZINC000019737988 567878806 /nfs/dbraw/zinc/87/88/06/567878806.db2.gz OXMVRHDNSHZFBT-MRXNPFEDSA-N 0 0 299.414 4.663 50 0 CJAARN CCOc1ccccc1NC[C@H](CC)Oc1cccc(C)c1 ZINC000019737989 567878672 /nfs/dbraw/zinc/87/86/72/567878672.db2.gz OXMVRHDNSHZFBT-INIZCTEOSA-N 0 0 299.414 4.663 50 0 CJAARN Cc1cccc(NCCOc2ccccc2C(C)(C)C)c1 ZINC000019738009 567878939 /nfs/dbraw/zinc/87/89/39/567878939.db2.gz FDVZDLNISRZHDZ-UHFFFAOYSA-N 0 0 283.415 4.783 50 0 CJAARN CCc1ccc(OCCNc2ccc(F)c(Cl)c2)cc1 ZINC000019738012 170851059 /nfs/dbraw/zinc/85/10/59/170851059.db2.gz AGNQTXHRTHCCAN-UHFFFAOYSA-N 0 0 293.769 4.532 50 0 CJAARN CC(C)Oc1ccccc1CNc1ccc(F)c(Cl)c1 ZINC000019738019 567878754 /nfs/dbraw/zinc/87/87/54/567878754.db2.gz PLJWSHPUUOLJSZ-UHFFFAOYSA-N 0 0 293.769 4.878 50 0 CJAARN CC(C)(C)c1ccc(OCCNc2ccccc2F)cc1 ZINC000019738025 567878824 /nfs/dbraw/zinc/87/88/24/567878824.db2.gz RNFWXNFPGQORAE-UHFFFAOYSA-N 0 0 287.378 4.614 50 0 CJAARN Fc1ccccc1NCc1cc(Cl)cc(Cl)c1 ZINC000019738029 170850921 /nfs/dbraw/zinc/85/09/21/170850921.db2.gz QTQWAPCUILKBLL-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Cc1cccc(C)c1NCCOc1ccc(C(C)C)cc1 ZINC000019738032 170851140 /nfs/dbraw/zinc/85/11/40/170851140.db2.gz JHEZWDQPCLIKRT-UHFFFAOYSA-N 0 0 283.415 4.918 50 0 CJAARN Cc1cccc(CNc2cc(Cl)ccc2Cl)c1 ZINC000019738054 567878928 /nfs/dbraw/zinc/87/89/28/567878928.db2.gz JVUINUTYFFBAFG-UHFFFAOYSA-N 0 0 266.171 4.914 50 0 CJAARN Clc1ccc(Cl)c(NCCc2ccccc2)c1 ZINC000019738055 567878848 /nfs/dbraw/zinc/87/88/48/567878848.db2.gz XVOFCGFSDNYHGZ-UHFFFAOYSA-N 0 0 266.171 4.648 50 0 CJAARN CCc1cccc(C)c1NC[C@@H](C)Oc1cccc(C)c1 ZINC000019738066 567878843 /nfs/dbraw/zinc/87/88/43/567878843.db2.gz GCYGKUBFJIPECP-MRXNPFEDSA-N 0 0 283.415 4.745 50 0 CJAARN CCc1cccc(C)c1NC[C@H](C)Oc1cccc(C)c1 ZINC000019738067 170851259 /nfs/dbraw/zinc/85/12/59/170851259.db2.gz GCYGKUBFJIPECP-INIZCTEOSA-N 0 0 283.415 4.745 50 0 CJAARN CCc1cccc(C)c1NCc1cccc(OC(C)C)c1 ZINC000019738073 567878791 /nfs/dbraw/zinc/87/87/91/567878791.db2.gz WZYUSWDAMFWGGP-UHFFFAOYSA-N 0 0 283.415 4.957 50 0 CJAARN Cc1cccc(O[C@@H](C)CNc2cc(Cl)ccc2C)c1 ZINC000019738077 170851650 /nfs/dbraw/zinc/85/16/50/170851650.db2.gz HIWLZRQDEFAUJM-AWEZNQCLSA-N 0 0 289.806 4.836 50 0 CJAARN Cc1cccc(O[C@H](C)CNc2cc(Cl)ccc2C)c1 ZINC000019738078 567878890 /nfs/dbraw/zinc/87/88/90/567878890.db2.gz HIWLZRQDEFAUJM-CQSZACIVSA-N 0 0 289.806 4.836 50 0 CJAARN CC(C)c1ccc(O[C@@H](C)CNc2ccccc2)cc1 ZINC000019738110 567878699 /nfs/dbraw/zinc/87/86/99/567878699.db2.gz RWEDKIFTTVHXHC-HNNXBMFYSA-N 0 0 269.388 4.689 50 0 CJAARN CC(C)c1ccc(O[C@H](C)CNc2ccccc2)cc1 ZINC000019738111 567878761 /nfs/dbraw/zinc/87/87/61/567878761.db2.gz RWEDKIFTTVHXHC-OAHLLOKOSA-N 0 0 269.388 4.689 50 0 CJAARN CCCCCCOc1ccc(NCc2ccco2)cc1 ZINC000019738139 567878888 /nfs/dbraw/zinc/87/88/88/567878888.db2.gz AXLVBMJNAWAXEH-UHFFFAOYSA-N 0 0 273.376 4.851 50 0 CJAARN CC(C)COc1ccc(NCc2ccccc2Cl)cc1 ZINC000019738154 567878943 /nfs/dbraw/zinc/87/89/43/567878943.db2.gz JBWRAYAVKZESID-UHFFFAOYSA-N 0 0 289.806 4.987 50 0 CJAARN CC(C)COc1ccc(NCCCc2ccccc2)cc1 ZINC000019738155 567878678 /nfs/dbraw/zinc/87/86/78/567878678.db2.gz PHTLUOFSXMCQJV-UHFFFAOYSA-N 0 0 283.415 4.766 50 0 CJAARN Cc1cccc(CNc2ccc(OCC(C)C)cc2)c1 ZINC000019738156 170851308 /nfs/dbraw/zinc/85/13/08/170851308.db2.gz FTHPKOMYGJQKSL-UHFFFAOYSA-N 0 0 269.388 4.642 50 0 CJAARN CCOc1cccc(CNc2ccc(OCC(C)C)cc2)c1 ZINC000019738164 567878924 /nfs/dbraw/zinc/87/89/24/567878924.db2.gz OWVHOPNEWAURHX-UHFFFAOYSA-N 0 0 299.414 4.732 50 0 CJAARN CCCOc1ccc(NCCOc2ccc(C)cc2C)cc1 ZINC000019738169 567878920 /nfs/dbraw/zinc/87/89/20/567878920.db2.gz HVQBPJYEMGGNFX-UHFFFAOYSA-N 0 0 299.414 4.583 50 0 CJAARN CCCOc1ccc(NCCOc2cc(C)ccc2C)cc1 ZINC000019738177 567878759 /nfs/dbraw/zinc/87/87/59/567878759.db2.gz VXXPIEJNYWCCBT-UHFFFAOYSA-N 0 0 299.414 4.583 50 0 CJAARN CCCOc1ccc(NCCc2ccc(Cl)cc2)cc1 ZINC000019738180 567878893 /nfs/dbraw/zinc/87/88/93/567878893.db2.gz CYFMFNSPWCFWJZ-UHFFFAOYSA-N 0 0 289.806 4.783 50 0 CJAARN C[C@@H](CNc1ccccc1Cl)Oc1ccc(Cl)cc1 ZINC000019738190 567878922 /nfs/dbraw/zinc/87/89/22/567878922.db2.gz NSSLPLYYJIMNQR-NSHDSACASA-N 0 0 296.197 4.873 50 0 CJAARN C[C@H](CNc1ccccc1Cl)Oc1ccc(Cl)cc1 ZINC000019738191 567878872 /nfs/dbraw/zinc/87/88/72/567878872.db2.gz NSSLPLYYJIMNQR-LLVKDONJSA-N 0 0 296.197 4.873 50 0 CJAARN CC[C@@H](CNc1ccccc1Cl)Oc1ccc(C)cc1 ZINC000019738196 567878656 /nfs/dbraw/zinc/87/86/56/567878656.db2.gz OWTKIRGMOFBEBZ-AWEZNQCLSA-N 0 0 289.806 4.918 50 0 CJAARN CC[C@H](CNc1ccccc1Cl)Oc1ccc(C)cc1 ZINC000019738197 567878883 /nfs/dbraw/zinc/87/88/83/567878883.db2.gz OWTKIRGMOFBEBZ-CQSZACIVSA-N 0 0 289.806 4.918 50 0 CJAARN CCCOc1ccc(CNc2ccc(OC(C)C)cc2)cc1 ZINC000019738262 170851290 /nfs/dbraw/zinc/85/12/90/170851290.db2.gz NOCHYRYXHKFRCW-UHFFFAOYSA-N 0 0 299.414 4.875 50 0 CJAARN CC(C)Oc1ccc(CNc2ccc(OC(C)C)cc2)cc1 ZINC000019738265 567878657 /nfs/dbraw/zinc/87/86/57/567878657.db2.gz OOSBJUPDPDSFFW-UHFFFAOYSA-N 0 0 299.414 4.873 50 0 CJAARN CC(C)c1ccc(OCCNc2ccc(Cl)cc2)cc1 ZINC000019738274 567878838 /nfs/dbraw/zinc/87/88/38/567878838.db2.gz NLFFLBACVNMOAQ-UHFFFAOYSA-N 0 0 289.806 4.954 50 0 CJAARN CC(C)COc1ccccc1NCc1cccc(Cl)c1 ZINC000019738298 170851620 /nfs/dbraw/zinc/85/16/20/170851620.db2.gz NCPJXOZJIVDQEA-UHFFFAOYSA-N 0 0 289.806 4.987 50 0 CJAARN Cc1ccc(OCCNc2cccc(OCC(C)C)c2)cc1 ZINC000019738305 567878781 /nfs/dbraw/zinc/87/87/81/567878781.db2.gz HXHIQQZQRDETIR-UHFFFAOYSA-N 0 0 299.414 4.521 50 0 CJAARN CC(C)COc1cccc(NCC2CCCCC2)c1 ZINC000019738306 170851586 /nfs/dbraw/zinc/85/15/86/170851586.db2.gz VZQVOBHPCJXQCM-UHFFFAOYSA-N 0 0 261.409 4.714 50 0 CJAARN CC(C)c1ccccc1NCCOc1ccc(Cl)cc1 ZINC000019738319 567878734 /nfs/dbraw/zinc/87/87/34/567878734.db2.gz ZTDMKDOWZXBKOU-UHFFFAOYSA-N 0 0 289.806 4.954 50 0 CJAARN Cc1cccc(O[C@@H](C)CNc2ccccc2C(C)C)c1 ZINC000019738321 567878810 /nfs/dbraw/zinc/87/88/10/567878810.db2.gz AZMSJNXOJGDQQJ-INIZCTEOSA-N 0 0 283.415 4.998 50 0 CJAARN Cc1cccc(O[C@H](C)CNc2ccccc2C(C)C)c1 ZINC000019738322 567878833 /nfs/dbraw/zinc/87/88/33/567878833.db2.gz AZMSJNXOJGDQQJ-MRXNPFEDSA-N 0 0 283.415 4.998 50 0 CJAARN CCCOc1cccc(NC[C@@H](C)Oc2ccccc2C)c1 ZINC000019738358 567878929 /nfs/dbraw/zinc/87/89/29/567878929.db2.gz PEWZKAGQORRTQP-MRXNPFEDSA-N 0 0 299.414 4.663 50 0 CJAARN CCCOc1cccc(NC[C@H](C)Oc2ccccc2C)c1 ZINC000019738359 567878831 /nfs/dbraw/zinc/87/88/31/567878831.db2.gz PEWZKAGQORRTQP-INIZCTEOSA-N 0 0 299.414 4.663 50 0 CJAARN CCCOc1cccc(NCCc2ccc(Cl)cc2)c1 ZINC000019738362 567878855 /nfs/dbraw/zinc/87/88/55/567878855.db2.gz NGWDPBAJNGLFKB-UHFFFAOYSA-N 0 0 289.806 4.783 50 0 CJAARN CC(C)CCOc1cccc(NCc2cccs2)c1 ZINC000019738365 567878741 /nfs/dbraw/zinc/87/87/41/567878741.db2.gz HGCZYUMXMINXMC-UHFFFAOYSA-N 0 0 275.417 4.785 50 0 CJAARN CCOc1cccc(NCCOc2ccccc2C(C)C)c1 ZINC000019738377 567878933 /nfs/dbraw/zinc/87/89/33/567878933.db2.gz SYPCMZOOKHZQFG-UHFFFAOYSA-N 0 0 299.414 4.700 50 0 CJAARN CCCCOc1ccc(CNc2cccc(OCC)c2)cc1 ZINC000019738390 567878743 /nfs/dbraw/zinc/87/87/43/567878743.db2.gz FBAUJIJAUYMUHZ-UHFFFAOYSA-N 0 0 299.414 4.876 50 0 CJAARN CCOc1cccc(NCc2ccc(C(C)C)cc2)c1 ZINC000019738394 567878661 /nfs/dbraw/zinc/87/86/61/567878661.db2.gz NHMDRXZTUGWGAY-UHFFFAOYSA-N 0 0 269.388 4.821 50 0 CJAARN CCOc1cccc(NCCCc2ccccc2Cl)c1 ZINC000019738395 567878885 /nfs/dbraw/zinc/87/88/85/567878885.db2.gz ZZBNPGLZYQNRTC-UHFFFAOYSA-N 0 0 289.806 4.783 50 0 CJAARN CC(C)(C)CNc1cccc(OCCOc2ccccc2)c1 ZINC000019738406 567878844 /nfs/dbraw/zinc/87/88/44/567878844.db2.gz GPNHARGZHQULEH-UHFFFAOYSA-N 0 0 299.414 4.602 50 0 CJAARN CCCCOc1ccccc1NCCc1ccccc1C ZINC000019738493 567878925 /nfs/dbraw/zinc/87/89/25/567878925.db2.gz HCQOAGLZCWQZLN-UHFFFAOYSA-N 0 0 283.415 4.829 50 0 CJAARN Clc1ccc(Cl)c(NCc2cccs2)c1 ZINC000019772608 567879140 /nfs/dbraw/zinc/87/91/40/567879140.db2.gz ORTRLROWFKTWRG-UHFFFAOYSA-N 0 0 258.173 4.667 50 0 CJAARN Cc1cc(N)c2nc(-c3ccc(-c4ccccc4)cc3)cn2c1 ZINC000019775855 567123489 /nfs/dbraw/zinc/12/34/89/567123489.db2.gz AXDKKEXLPGTBCG-UHFFFAOYSA-N 0 0 299.377 4.559 50 0 CJAARN O=Cc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC000019795379 567879402 /nfs/dbraw/zinc/87/94/02/567879402.db2.gz YBZDGGHCOBODKY-UHFFFAOYSA-N 0 0 267.111 4.598 50 0 CJAARN C/C(Cl)=C\Cn1c2ccccc2c2ccccc21 ZINC000019799897 567879174 /nfs/dbraw/zinc/87/91/74/567879174.db2.gz JLZMTWKDZSJOOH-ZRDIBKRKSA-N 0 0 255.748 4.937 50 0 CJAARN Clc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000019803873 170873402 /nfs/dbraw/zinc/87/34/02/170873402.db2.gz GDFQJKDEJAHULN-UHFFFAOYSA-N 0 0 286.787 4.889 50 0 CJAARN Nc1ccccc1SCc1cccc2ccccc21 ZINC000019809516 567879249 /nfs/dbraw/zinc/87/92/49/567879249.db2.gz OJRDSQOKURLLHG-UHFFFAOYSA-N 0 0 265.381 4.714 50 0 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Cc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000020362846 171161581 /nfs/dbraw/zinc/16/15/81/171161581.db2.gz NDOJJMAAJUAPCH-UHFFFAOYSA-N 0 0 276.744 4.687 50 0 CJAARN Cc1nn(-c2ccc(C)cc2)c2nccc(-c3ccccc3)c12 ZINC000020394382 171181209 /nfs/dbraw/zinc/18/12/09/171181209.db2.gz WYBFZACZDDWPBD-UHFFFAOYSA-N 0 0 299.377 4.704 50 0 CJAARN CCOc1ccc(-c2csc(-c3cccc(O)c3)n2)cc1 ZINC000020432984 171198076 /nfs/dbraw/zinc/19/80/76/171198076.db2.gz FYEMWNZINMCEDI-UHFFFAOYSA-N 0 0 297.379 4.581 50 0 CJAARN Oc1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000020433030 171197719 /nfs/dbraw/zinc/19/77/19/171197719.db2.gz IDXGKSIXQRGTOF-UHFFFAOYSA-N 0 0 287.771 4.836 50 0 CJAARN Cc1ccc(-c2csc(-c3cccc(O)c3)n2)s1 ZINC000020433039 171198109 /nfs/dbraw/zinc/19/81/09/171198109.db2.gz WYJYGRSMVSOXKC-UHFFFAOYSA-N 0 0 273.382 4.553 50 0 CJAARN CCSc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000020461547 171209780 /nfs/dbraw/zinc/20/97/80/171209780.db2.gz HZYOTNJZUZZOJU-UHFFFAOYSA-N 0 0 291.803 4.704 50 0 CJAARN CC(C)CN(C(=O)Nc1ccccc1)[C@@H](C)c1ccccc1 ZINC000020468591 171210170 /nfs/dbraw/zinc/21/01/70/171210170.db2.gz FBVUXCGPNGLRNV-INIZCTEOSA-N 0 0 296.414 4.938 50 0 CJAARN CC(C)CN(C(=O)Nc1ccccc1)[C@H](C)c1ccccc1 ZINC000020468593 171210018 /nfs/dbraw/zinc/21/00/18/171210018.db2.gz FBVUXCGPNGLRNV-MRXNPFEDSA-N 0 0 296.414 4.938 50 0 CJAARN Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020474902 171219348 /nfs/dbraw/zinc/21/93/48/171219348.db2.gz JHQYMVKFYOBJHJ-UHFFFAOYSA-N 0 0 272.106 4.507 50 0 CJAARN Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020474910 171219411 /nfs/dbraw/zinc/21/94/11/171219411.db2.gz ATSXMWISGAYPBK-UHFFFAOYSA-N 0 0 272.106 4.507 50 0 CJAARN Fc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000020545603 171243774 /nfs/dbraw/zinc/24/37/74/171243774.db2.gz CRDQFOQQSHQDFR-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN CC(C)(C)c1ccc(NCc2cccc(F)c2)cc1 ZINC000020546103 171243989 /nfs/dbraw/zinc/24/39/89/171243989.db2.gz RGUGDIHMBGNQAU-UHFFFAOYSA-N 0 0 257.352 4.735 50 0 CJAARN Cc1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000020552845 171247992 /nfs/dbraw/zinc/24/79/92/171247992.db2.gz YEEZMUBZQGTOLE-UHFFFAOYSA-N 0 0 266.171 4.914 50 0 CJAARN Fc1cccc(CNc2ccc(Cl)cc2Cl)c1 ZINC000020559429 171251102 /nfs/dbraw/zinc/25/11/02/171251102.db2.gz GLEDCFXJGHWYKQ-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN COc1cccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000020562198 171252314 /nfs/dbraw/zinc/25/23/14/171252314.db2.gz WRENWCVRVNPBPP-IAOVAPTHSA-N 0 0 261.409 4.568 50 0 CJAARN COc1cccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000020562200 171252202 /nfs/dbraw/zinc/25/22/02/171252202.db2.gz WRENWCVRVNPBPP-KBRIMQKVSA-N 0 0 261.409 4.568 50 0 CJAARN CCC1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000020573126 171255439 /nfs/dbraw/zinc/25/54/39/171255439.db2.gz JPLWPTRJKXNWEV-UHFFFAOYSA-N 0 0 298.789 4.569 50 0 CJAARN Cc1nn(C(C)C)c2nc(-c3ccco3)cc(C(F)F)c12 ZINC000020603876 171266791 /nfs/dbraw/zinc/26/67/91/171266791.db2.gz AFTZCRRUXJFNRE-UHFFFAOYSA-N 0 0 291.301 4.518 50 0 CJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(C)noc3n2)s1 ZINC000020605072 171267096 /nfs/dbraw/zinc/26/70/96/171267096.db2.gz NRCQDYXFBFMKIK-UHFFFAOYSA-N 0 0 298.289 4.587 50 0 CJAARN CCc1ccc(-c2cc(C(F)F)c3c(C)noc3n2)cc1 ZINC000020605105 171267213 /nfs/dbraw/zinc/26/72/13/171267213.db2.gz IZQVYEMNZFRQPQ-UHFFFAOYSA-N 0 0 288.297 4.698 50 0 CJAARN Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020605811 171267012 /nfs/dbraw/zinc/26/70/12/171267012.db2.gz YFYJADGLECZGCS-UHFFFAOYSA-N 0 0 294.688 4.789 50 0 CJAARN S=c1nc2ccccc2c(NCCC2=CCCCC2)[nH]1 ZINC000020646007 171269079 /nfs/dbraw/zinc/26/90/79/171269079.db2.gz LSFMMDJFQRXUGB-UHFFFAOYSA-N 0 0 285.416 4.595 50 0 CJAARN Cc1cccnc1-c1cccc(-c2ccn(C(C)C)n2)c1 ZINC000020707368 171269870 /nfs/dbraw/zinc/26/98/70/171269870.db2.gz XXLQRXJKGUABOR-UHFFFAOYSA-N 0 0 277.371 4.501 50 0 CJAARN Oc1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000020823408 171273567 /nfs/dbraw/zinc/27/35/67/171273567.db2.gz SMXSOYCXVAVPHG-RUDMXATFSA-N 0 0 297.354 4.825 50 0 CJAARN Fc1ccccc1CNC(c1ccccc1)c1ccccc1 ZINC000020828546 171274991 /nfs/dbraw/zinc/27/49/91/171274991.db2.gz DZQCJXUEQXUBPI-UHFFFAOYSA-N 0 0 291.369 4.705 50 0 CJAARN S=c1[nH]c2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000020848054 171275861 /nfs/dbraw/zinc/27/58/61/171275861.db2.gz ZPUBQANGVHBOKZ-UHFFFAOYSA-N 0 0 286.787 4.537 50 0 CJAARN CC1CCC(c2nnc(-c3ccccc3Cl)o2)CC1 ZINC000020852338 171275904 /nfs/dbraw/zinc/27/59/04/171275904.db2.gz BTCGAWOPWKKLEX-UHFFFAOYSA-N 0 0 276.767 4.684 50 0 CJAARN CCC[C@@H](C(=O)Nc1cc(C)ccc1F)c1ccccc1 ZINC000020859127 171276359 /nfs/dbraw/zinc/27/63/59/171276359.db2.gz HSBIRBMDRRBCJZ-OAHLLOKOSA-N 0 0 285.362 4.657 50 0 CJAARN CCC[C@H](C(=O)Nc1cc(C)ccc1F)c1ccccc1 ZINC000020859132 171276278 /nfs/dbraw/zinc/27/62/78/171276278.db2.gz HSBIRBMDRRBCJZ-HNNXBMFYSA-N 0 0 285.362 4.657 50 0 CJAARN CC(C)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000020900637 171278716 /nfs/dbraw/zinc/27/87/16/171278716.db2.gz TVHBJNMPMUFRGE-UHFFFAOYSA-N 0 0 278.355 4.544 50 0 CJAARN CCCOc1ccc2ccccc2c1CNCc1ccco1 ZINC000020930745 171280991 /nfs/dbraw/zinc/28/09/91/171280991.db2.gz RTNYXYZMRGUFKG-UHFFFAOYSA-N 0 0 295.382 4.511 50 0 CJAARN CCCC(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000021002817 171284512 /nfs/dbraw/zinc/28/45/12/171284512.db2.gz CKFNZPWPVGFHTH-UHFFFAOYSA-N 0 0 294.354 4.542 50 0 CJAARN CSc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021005467 171284963 /nfs/dbraw/zinc/28/49/63/171284963.db2.gz LQYJAHSFYAFQFV-UHFFFAOYSA-N 0 0 274.776 4.605 50 0 CJAARN Fc1cccc(CNc2cccc(Cl)c2Cl)c1 ZINC000021008243 260120282 /nfs/dbraw/zinc/12/02/82/260120282.db2.gz ZFYAPICCYIAVET-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Fc1cccc(CNc2cc(Cl)cc(Cl)c2)c1 ZINC000021010516 171286734 /nfs/dbraw/zinc/28/67/34/171286734.db2.gz PPLXYHSJCYCORK-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Fc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000021010565 171286888 /nfs/dbraw/zinc/28/68/88/171286888.db2.gz IXMMFUMVGXKTGY-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Fc1ccc(CNc2ccc(Cl)cc2Cl)cc1 ZINC000021013191 260120290 /nfs/dbraw/zinc/12/02/90/260120290.db2.gz VVICQWCKVXSDGE-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Brc1ccc(NC2CCCCCC2)cc1 ZINC000021014092 171288778 /nfs/dbraw/zinc/28/87/78/171288778.db2.gz CZKVVTXABBECMC-UHFFFAOYSA-N 0 0 268.198 4.584 50 0 CJAARN Clc1ccc(COc2ccccc2Br)cc1 ZINC000021036873 171292808 /nfs/dbraw/zinc/29/28/08/171292808.db2.gz HCBVDDNFVZKFGO-UHFFFAOYSA-N 0 0 297.579 4.682 50 0 CJAARN Cc1cc(O[C@H](C)c2nc3ccccc3[nH]2)ccc1Cl ZINC000021149751 171298562 /nfs/dbraw/zinc/29/85/62/171298562.db2.gz SHIGCHTVRLVPBH-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1cc(O[C@@H](C)c2nc3ccccc3[nH]2)ccc1Cl ZINC000021149755 171298372 /nfs/dbraw/zinc/29/83/72/171298372.db2.gz SHIGCHTVRLVPBH-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN c1coc(CNc2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000021224870 171299921 /nfs/dbraw/zinc/29/99/21/171299921.db2.gz XPOFLGSQNPKHMB-UHFFFAOYSA-N 0 0 296.351 4.761 50 0 CJAARN COc1ccccc1-c1csc(-c2cccs2)n1 ZINC000021224911 171300183 /nfs/dbraw/zinc/30/01/83/171300183.db2.gz KVSUQPLQQOEAHW-UHFFFAOYSA-N 0 0 273.382 4.547 50 0 CJAARN O=C(CCCc1cccs1)Nc1cccc(Cl)c1F ZINC000021354588 171303448 /nfs/dbraw/zinc/30/34/48/171303448.db2.gz QHCVFVLJCAICML-UHFFFAOYSA-N 0 0 297.782 4.502 50 0 CJAARN CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1 ZINC000021364341 171303554 /nfs/dbraw/zinc/30/35/54/171303554.db2.gz BRYSUROQMCLNEH-UHFFFAOYSA-N 0 0 281.384 4.511 50 0 CJAARN Cc1ccc(-c2csc(Nc3cc(C)ccn3)n2)c(C)c1 ZINC000021364362 171303658 /nfs/dbraw/zinc/30/36/58/171303658.db2.gz YBINHPVPRYGLOA-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccnc(Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 ZINC000021364368 171303777 /nfs/dbraw/zinc/30/37/77/171303777.db2.gz DNYHYDSYJNFFAY-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccc(Nc2nc(-c3ccc(C)cc3C)cs2)nc1 ZINC000021364452 171303588 /nfs/dbraw/zinc/30/35/88/171303588.db2.gz VXUZEFBHPMTRDY-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)nc1 ZINC000021364458 171303756 /nfs/dbraw/zinc/30/37/56/171303756.db2.gz QLYSHJHGEHZIFJ-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN CCc1ccc2ncc3c(n[nH]c3-c3ccc(C)cc3)c2c1 ZINC000021365420 171303727 /nfs/dbraw/zinc/30/37/27/171303727.db2.gz GOXLFVVCSWWLHY-UHFFFAOYSA-N 0 0 287.366 4.649 50 0 CJAARN Cc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)sc1C ZINC000021494431 171304502 /nfs/dbraw/zinc/30/45/02/171304502.db2.gz OSZRBYZASARSNW-CQSZACIVSA-N 0 0 293.457 4.554 50 0 CJAARN Cc1cc(C(=O)N[C@H](c2cccs2)C(C)C)sc1C ZINC000021494433 171304564 /nfs/dbraw/zinc/30/45/64/171304564.db2.gz OSZRBYZASARSNW-AWEZNQCLSA-N 0 0 293.457 4.554 50 0 CJAARN Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000021500248 171305077 /nfs/dbraw/zinc/30/50/77/171305077.db2.gz JDJMHDMRJKCLIO-UHFFFAOYSA-N 0 0 266.171 4.914 50 0 CJAARN CC(C)(C)c1ccc(NCc2ccc(F)cc2)cc1 ZINC000021519018 171314888 /nfs/dbraw/zinc/31/48/88/171314888.db2.gz KNXIXPSERNYUGK-UHFFFAOYSA-N 0 0 257.352 4.735 50 0 CJAARN Fc1cccc(CNc2cc(Cl)ccc2Cl)c1 ZINC000021520104 171315532 /nfs/dbraw/zinc/31/55/32/171315532.db2.gz YFUNHPONPPMCKN-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN CC(C)(C)c1ccc(NCc2ccccc2F)cc1 ZINC000021520748 171315868 /nfs/dbraw/zinc/31/58/68/171315868.db2.gz NLQQGCGTEKGMEV-UHFFFAOYSA-N 0 0 257.352 4.735 50 0 CJAARN CCc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 ZINC000021525488 171316363 /nfs/dbraw/zinc/31/63/63/171316363.db2.gz CTNYVXCMWHWNNN-UHFFFAOYSA-N 0 0 297.383 4.503 50 0 CJAARN Cc1cc2nc(NC(=O)Nc3ccccc3)sc2cc1C ZINC000021525518 171316530 /nfs/dbraw/zinc/31/65/30/171316530.db2.gz QFGZVEHOOJRPAQ-UHFFFAOYSA-N 0 0 297.383 4.557 50 0 CJAARN Cc1cc2c(ncnc2Oc2cc(C)ccc2Cl)s1 ZINC000021641561 171317784 /nfs/dbraw/zinc/31/77/84/171317784.db2.gz MSAHAVFDBDWHMQ-UHFFFAOYSA-N 0 0 290.775 4.754 50 0 CJAARN Cc1cc2c(ncnc2Oc2ccc(F)cc2Cl)s1 ZINC000021641568 171317683 /nfs/dbraw/zinc/31/76/83/171317683.db2.gz DINDILJYDRGZEG-UHFFFAOYSA-N 0 0 294.738 4.585 50 0 CJAARN Cc1ccc(C(C)C)c(OCc2nc3cc(F)ccc3[nH]2)c1 ZINC000021658798 171318658 /nfs/dbraw/zinc/31/86/58/171318658.db2.gz IBEAXCYARLLLLB-UHFFFAOYSA-N 0 0 298.361 4.713 50 0 CJAARN Cc1ccc2[nH]c(COc3ccc(C(C)C)cc3)nc2c1 ZINC000021658826 171318429 /nfs/dbraw/zinc/31/84/29/171318429.db2.gz WFDIXXYLAPVVIM-UHFFFAOYSA-N 0 0 280.371 4.574 50 0 CJAARN Cc1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021658841 171318369 /nfs/dbraw/zinc/31/83/69/171318369.db2.gz OBBBNRKQHADNNB-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021658843 171318735 /nfs/dbraw/zinc/31/87/35/171318735.db2.gz OBBBNRKQHADNNB-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)cc1C ZINC000021658845 171318558 /nfs/dbraw/zinc/31/85/58/171318558.db2.gz VTWBRXOLXZNBAP-OAHLLOKOSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)cc1C ZINC000021658847 171318784 /nfs/dbraw/zinc/31/87/84/171318784.db2.gz VTWBRXOLXZNBAP-HNNXBMFYSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccc2[nH]c([C@@H](C)Oc3cc(C)cc(C)c3)nc2c1 ZINC000021658856 171318378 /nfs/dbraw/zinc/31/83/78/171318378.db2.gz FJPRXJIVSPOLMU-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccc2[nH]c([C@H](C)Oc3cc(C)cc(C)c3)nc2c1 ZINC000021658857 171318815 /nfs/dbraw/zinc/31/88/15/171318815.db2.gz FJPRXJIVSPOLMU-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1cc(C)cc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000021658859 171318644 /nfs/dbraw/zinc/31/86/44/171318644.db2.gz QRHQBVUICBCVFO-OAHLLOKOSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1cc(C)cc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000021658861 171318432 /nfs/dbraw/zinc/31/84/32/171318432.db2.gz QRHQBVUICBCVFO-HNNXBMFYSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1cccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000021658863 171318668 /nfs/dbraw/zinc/31/86/68/171318668.db2.gz QBUGMANDLFYAAU-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1cccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000021658865 171318767 /nfs/dbraw/zinc/31/87/67/171318767.db2.gz QBUGMANDLFYAAU-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc(C)c(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000021658867 171318780 /nfs/dbraw/zinc/31/87/80/171318780.db2.gz PERIROITFLVQMR-OAHLLOKOSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccc(C)c(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000021658868 171318446 /nfs/dbraw/zinc/31/84/46/171318446.db2.gz PERIROITFLVQMR-HNNXBMFYSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccccc1O[C@H](C)c1nc2cc(C)c(C)cc2[nH]1 ZINC000021658902 171318501 /nfs/dbraw/zinc/31/85/01/171318501.db2.gz XPHJPBUECVVDTF-CQSZACIVSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1ccccc1O[C@@H](C)c1nc2cc(C)c(C)cc2[nH]1 ZINC000021658904 171318761 /nfs/dbraw/zinc/31/87/61/171318761.db2.gz XPHJPBUECVVDTF-AWEZNQCLSA-N 0 0 280.371 4.628 50 0 CJAARN Cc1cccc(C)c1O[C@H](C)c1nc2cc(C)c(C)cc2[nH]1 ZINC000021658916 171318744 /nfs/dbraw/zinc/31/87/44/171318744.db2.gz HHCHDFBNIFOCBN-OAHLLOKOSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1cccc(C)c1O[C@@H](C)c1nc2cc(C)c(C)cc2[nH]1 ZINC000021658918 171318622 /nfs/dbraw/zinc/31/86/22/171318622.db2.gz HHCHDFBNIFOCBN-HNNXBMFYSA-N 0 0 294.398 4.937 50 0 CJAARN Cc1ccc2[nH]c([C@@H](C)Oc3ccc(Cl)cc3)nc2c1 ZINC000021658920 171318361 /nfs/dbraw/zinc/31/83/61/171318361.db2.gz RTSJATBRPXVZIB-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc2[nH]c([C@H](C)Oc3ccc(Cl)cc3)nc2c1 ZINC000021658922 171318574 /nfs/dbraw/zinc/31/85/74/171318574.db2.gz RTSJATBRPXVZIB-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc2[nH]c([C@@H](C)Oc3ccccc3Cl)nc2c1 ZINC000021658938 171318403 /nfs/dbraw/zinc/31/84/03/171318403.db2.gz BITUAAHYHFTTEA-LLVKDONJSA-N 0 0 286.762 4.665 50 0 CJAARN Cc1ccc2[nH]c([C@H](C)Oc3ccccc3Cl)nc2c1 ZINC000021658939 171318818 /nfs/dbraw/zinc/31/88/18/171318818.db2.gz BITUAAHYHFTTEA-NSHDSACASA-N 0 0 286.762 4.665 50 0 CJAARN COc1ccc(-c2csc(Cc3ccccc3)n2)cc1F ZINC000021667915 171318495 /nfs/dbraw/zinc/31/84/95/171318495.db2.gz MKALVTBGDSFLQW-UHFFFAOYSA-N 0 0 299.370 4.549 50 0 CJAARN CCCc1ccc([C@@H](NC(=O)c2occc2C)C(C)C)cc1 ZINC000021669170 171318442 /nfs/dbraw/zinc/31/84/42/171318442.db2.gz GJBRNTMZIOTYHM-KRWDZBQOSA-N 0 0 299.414 4.668 50 0 CJAARN CCCc1ccc([C@H](NC(=O)c2occc2C)C(C)C)cc1 ZINC000021669172 171318533 /nfs/dbraw/zinc/31/85/33/171318533.db2.gz GJBRNTMZIOTYHM-QGZVFWFLSA-N 0 0 299.414 4.668 50 0 CJAARN Cc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1C ZINC000021719727 171319954 /nfs/dbraw/zinc/31/99/54/171319954.db2.gz ZTFGSGXXMQZKMD-SFHVURJKSA-N 0 0 298.430 4.752 50 0 CJAARN Cc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1C ZINC000021719729 171320069 /nfs/dbraw/zinc/32/00/69/171320069.db2.gz ZTFGSGXXMQZKMD-GOSISDBHSA-N 0 0 298.430 4.752 50 0 CJAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(C)c(C)c2)no1 ZINC000021719731 171319978 /nfs/dbraw/zinc/31/99/78/171319978.db2.gz CZABTWOELZNFCU-IBGZPJMESA-N 0 0 298.430 4.581 50 0 CJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(C)c(C)c2)no1 ZINC000021719732 171319879 /nfs/dbraw/zinc/31/98/79/171319879.db2.gz CZABTWOELZNFCU-LJQANCHMSA-N 0 0 298.430 4.581 50 0 CJAARN Cc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719794 171320902 /nfs/dbraw/zinc/32/09/02/171320902.db2.gz BHRJHLYGVMRHPZ-SFHVURJKSA-N 0 0 298.430 4.752 50 0 CJAARN Cc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)c(C)c1 ZINC000021719796 171320309 /nfs/dbraw/zinc/32/03/09/171320309.db2.gz BHRJHLYGVMRHPZ-GOSISDBHSA-N 0 0 298.430 4.752 50 0 CJAARN Cc1ccsc1CN1CCC[C@H]1c1cc(C(C)C)on1 ZINC000021720405 171320831 /nfs/dbraw/zinc/32/08/31/171320831.db2.gz XKHBZBHVSSVTTL-AWEZNQCLSA-N 0 0 290.432 4.505 50 0 CJAARN Cc1ccsc1CN1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720407 171320627 /nfs/dbraw/zinc/32/06/27/171320627.db2.gz XKHBZBHVSSVTTL-CQSZACIVSA-N 0 0 290.432 4.505 50 0 CJAARN CCc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720472 171320983 /nfs/dbraw/zinc/32/09/83/171320983.db2.gz JBZDKOKJMOHKRR-GOSISDBHSA-N 0 0 298.430 4.698 50 0 CJAARN CCc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720474 171320327 /nfs/dbraw/zinc/32/03/27/171320327.db2.gz JBZDKOKJMOHKRR-SFHVURJKSA-N 0 0 298.430 4.698 50 0 CJAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(CC)cc2)no1 ZINC000021720476 171320524 /nfs/dbraw/zinc/32/05/24/171320524.db2.gz IPDDPKGBTPFQAM-IBGZPJMESA-N 0 0 298.430 4.527 50 0 CJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(CC)cc2)no1 ZINC000021720478 171320849 /nfs/dbraw/zinc/32/08/49/171320849.db2.gz IPDDPKGBTPFQAM-LJQANCHMSA-N 0 0 298.430 4.527 50 0 CJAARN Clc1ccc(CNc2ccc3ccccc3n2)cc1 ZINC000021806200 171327397 /nfs/dbraw/zinc/32/73/97/171327397.db2.gz HNCQXEWZFRVSRT-UHFFFAOYSA-N 0 0 268.747 4.500 50 0 CJAARN Fc1ccccc1CNc1cc(Cl)ccc1Cl ZINC000021817532 171333294 /nfs/dbraw/zinc/33/32/94/171333294.db2.gz OMETVKUDIZPYAL-UHFFFAOYSA-N 0 0 270.134 4.745 50 0 CJAARN Cc1ccc(N)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000021950575 171339312 /nfs/dbraw/zinc/33/93/12/171339312.db2.gz FWJUOGBCHBFJMU-UHFFFAOYSA-N 0 0 252.144 4.551 50 0 CJAARN Fc1ccc(Nc2nc3ccccc3s2)cc1Cl ZINC000021951921 171339952 /nfs/dbraw/zinc/33/99/52/171339952.db2.gz YFIZEGXPALQJHD-UHFFFAOYSA-N 0 0 278.739 4.832 50 0 CJAARN O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000021993021 171346560 /nfs/dbraw/zinc/34/65/60/171346560.db2.gz JAHBIRPTCXOGLB-UHFFFAOYSA-N 0 0 291.325 4.731 50 0 CJAARN CCCCCc1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000022002057 171348306 /nfs/dbraw/zinc/34/83/06/171348306.db2.gz OFNFLSYTTLXGBM-UHFFFAOYSA-N 0 0 282.383 4.947 50 0 CJAARN CC(=O)c1cc(Cl)sc1SCc1ccccc1 ZINC000022002656 171348400 /nfs/dbraw/zinc/34/84/00/171348400.db2.gz REGHIPPKDCMIBD-UHFFFAOYSA-N 0 0 282.817 4.896 50 0 in-vitro CJAARN FC(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC000022003098 171348167 /nfs/dbraw/zinc/34/81/67/171348167.db2.gz LVTJXMPINPVNGM-UHFFFAOYSA-N 0 0 266.049 4.560 50 0 CJAARN CSc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000022007948 171348919 /nfs/dbraw/zinc/34/89/19/171348919.db2.gz MLAAEIYFLUZWAH-CABCVRRESA-N 0 0 289.444 4.585 50 0 CJAARN CSc1ccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000022007952 171348632 /nfs/dbraw/zinc/34/86/32/171348632.db2.gz MLAAEIYFLUZWAH-HUUCEWRRSA-N 0 0 289.444 4.585 50 0 CJAARN CSc1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000022007956 171348694 /nfs/dbraw/zinc/34/86/94/171348694.db2.gz MLAAEIYFLUZWAH-GJZGRUSLSA-N 0 0 289.444 4.585 50 0 CJAARN CSc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000022007961 171348717 /nfs/dbraw/zinc/34/87/17/171348717.db2.gz MLAAEIYFLUZWAH-LSDHHAIUSA-N 0 0 289.444 4.585 50 0 CJAARN O=Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000022009413 171348604 /nfs/dbraw/zinc/34/86/04/171348604.db2.gz JTRDWIOIDMLMNN-XBXARRHUSA-N 0 0 293.753 4.871 50 0 in-vitro CJAARN CC[C@](C)(c1ccccc1)[C@@H]1CNc2ccccc21 ZINC000022014158 171349200 /nfs/dbraw/zinc/34/92/00/171349200.db2.gz ZARYWWBNZPSIGT-SJLPKXTDSA-N 0 0 251.373 4.564 50 0 CJAARN CC[C@@](C)(c1ccccc1)[C@@H]1CNc2ccccc21 ZINC000022014163 171349364 /nfs/dbraw/zinc/34/93/64/171349364.db2.gz ZARYWWBNZPSIGT-AEFFLSMTSA-N 0 0 251.373 4.564 50 0 CJAARN CC[C@](C)(c1ccccc1)[C@H]1CNc2ccccc21 ZINC000022014169 171349256 /nfs/dbraw/zinc/34/92/56/171349256.db2.gz ZARYWWBNZPSIGT-FUHWJXTLSA-N 0 0 251.373 4.564 50 0 CJAARN CC[C@@](C)(c1ccccc1)[C@H]1CNc2ccccc21 ZINC000022014175 171349105 /nfs/dbraw/zinc/34/91/05/171349105.db2.gz ZARYWWBNZPSIGT-WMZOPIPTSA-N 0 0 251.373 4.564 50 0 CJAARN Clc1c(-c2ccccc2)noc1-c1ccccc1 ZINC000022016773 171349463 /nfs/dbraw/zinc/34/94/63/171349463.db2.gz QKDLVLKLRRQFQF-UHFFFAOYSA-N 0 0 255.704 4.662 50 0 CJAARN CC(C)=CCC[C@]1(C)C=Cc2c(O)c(C(C)=O)ccc2O1 ZINC000022017466 171349469 /nfs/dbraw/zinc/34/94/69/171349469.db2.gz BUACBPXUZNEABJ-GOSISDBHSA-N 0 0 286.371 4.506 50 0 CJAARN CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(C(C)=O)ccc2O1 ZINC000022017470 171349592 /nfs/dbraw/zinc/34/95/92/171349592.db2.gz BUACBPXUZNEABJ-SFHVURJKSA-N 0 0 286.371 4.506 50 0 CJAARN CC(C)(C)Sc1ccc2nc(-c3ccccc3)cn2c1 ZINC000022018408 171349738 /nfs/dbraw/zinc/34/97/38/171349738.db2.gz AYBIQPOJWSQVLD-UHFFFAOYSA-N 0 0 282.412 4.892 50 0 CJAARN Nc1ccccc1/C=C1/CCCc2cc3ccccc3nc21 ZINC000022023039 567881171 /nfs/dbraw/zinc/88/11/71/567881171.db2.gz UUCSDZABRRJRLS-VBKFSLOCSA-N 0 0 286.378 4.694 50 0 CJAARN Nc1c(-c2ccccc2)sc(=S)n1-c1ccccc1 ZINC000022033064 184536597 /nfs/dbraw/zinc/53/65/97/184536597.db2.gz CNKXINZFGAOICQ-UHFFFAOYSA-N 0 0 284.409 4.517 50 0 CJAARN O=C(C[C@H]1C=CCC1)Nc1ccccc1-c1cccs1 ZINC000022063881 171351727 /nfs/dbraw/zinc/35/17/27/171351727.db2.gz HXBUZLPTVPLELI-ZDUSSCGKSA-N 0 0 283.396 4.710 50 0 CJAARN O=C(C[C@@H]1C=CCC1)Nc1ccccc1-c1cccs1 ZINC000022063884 171351753 /nfs/dbraw/zinc/35/17/53/171351753.db2.gz HXBUZLPTVPLELI-CYBMUJFWSA-N 0 0 283.396 4.710 50 0 CJAARN Cc1ccc(-c2cc(-c3ccccc3Cl)no2)c(O)c1 ZINC000022107550 567888538 /nfs/dbraw/zinc/88/85/38/567888538.db2.gz FWSGCODYUYZYTM-UHFFFAOYSA-N 0 0 285.730 4.676 50 0 CJAARN O=C(/C=C\c1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000022108342 171352899 /nfs/dbraw/zinc/35/28/99/171352899.db2.gz DAGUGQHDMKIAPI-ZROIWOOFSA-N 0 0 299.373 4.590 50 0 CJAARN CC1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000022147066 171357028 /nfs/dbraw/zinc/35/70/28/171357028.db2.gz IAFYSNRHYJTSMC-UHFFFAOYSA-N 0 0 274.795 4.879 50 0 CJAARN Clc1ccc(CNc2ccccc2Cl)cc1 ZINC000022149194 171358123 /nfs/dbraw/zinc/35/81/23/171358123.db2.gz KHNHMKBAWZEQPF-UHFFFAOYSA-N 0 0 252.144 4.606 50 0 CJAARN CC1=C(CC[C@]2(C)OCC[C@@H](C)O2)C(C)(C)CCC1 ZINC000022229006 171379960 /nfs/dbraw/zinc/37/99/60/171379960.db2.gz ZHGLUVRRFVQCDM-RHSMWYFYSA-N 0 0 266.425 4.835 50 0 CJAARN CC1=C(CC[C@]2(C)OCC[C@H](C)O2)C(C)(C)CCC1 ZINC000022229010 171380045 /nfs/dbraw/zinc/38/00/45/171380045.db2.gz ZHGLUVRRFVQCDM-WMLDXEAASA-N 0 0 266.425 4.835 50 0 CJAARN CC1=C(CC[C@@]2(C)OCC[C@@H](C)O2)C(C)(C)CCC1 ZINC000022229014 171380261 /nfs/dbraw/zinc/38/02/61/171380261.db2.gz ZHGLUVRRFVQCDM-PBHICJAKSA-N 0 0 266.425 4.835 50 0 CJAARN CC1=C(CC[C@@]2(C)OCC[C@H](C)O2)C(C)(C)CCC1 ZINC000022229017 171379910 /nfs/dbraw/zinc/37/99/10/171379910.db2.gz ZHGLUVRRFVQCDM-YOEHRIQHSA-N 0 0 266.425 4.835 50 0 CJAARN CCCCN(C)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000022334965 171385720 /nfs/dbraw/zinc/38/57/20/171385720.db2.gz XGJUDSVEPIDXLD-UHFFFAOYSA-N 0 0 299.798 4.566 50 0 CJAARN CSc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000022339081 171385712 /nfs/dbraw/zinc/38/57/12/171385712.db2.gz HBYOEIXXPSTFCD-UHFFFAOYSA-N 0 0 255.342 4.525 50 0 CJAARN Cc1ccc2oc(-c3cc(C)c(C)cc3C)nc2c1 ZINC000022342443 171385401 /nfs/dbraw/zinc/38/54/01/171385401.db2.gz GKUNWAIMLJUFDG-UHFFFAOYSA-N 0 0 251.329 4.728 50 0 CJAARN Cc1cc2nc(-c3cc(C)cc(C)c3)oc2c(C)c1 ZINC000022342973 171385678 /nfs/dbraw/zinc/38/56/78/171385678.db2.gz TZJPGOUXKWQKIX-UHFFFAOYSA-N 0 0 251.329 4.728 50 0 CJAARN Cc1cc2nc(-c3cccc(C)c3C)oc2c(C)c1 ZINC000022344537 171385609 /nfs/dbraw/zinc/38/56/09/171385609.db2.gz ODHAILCCUPZUSK-UHFFFAOYSA-N 0 0 251.329 4.728 50 0 CJAARN Cc1ccc(F)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000022347523 171385569 /nfs/dbraw/zinc/38/55/69/171385569.db2.gz UTWDQSKYKGUMMJ-UHFFFAOYSA-N 0 0 255.292 4.559 50 0 CJAARN CSc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000022350245 171385644 /nfs/dbraw/zinc/38/56/44/171385644.db2.gz VMCUZTVCOVQCDE-UHFFFAOYSA-N 0 0 269.369 4.834 50 0 CJAARN Cc1ccc2oc(-c3ccc(OC(C)(C)C)cc3)nc2c1 ZINC000022351969 171385462 /nfs/dbraw/zinc/38/54/62/171385462.db2.gz LCUGNYMNVSXJSL-UHFFFAOYSA-N 0 0 281.355 4.981 50 0 CJAARN CC(C)CNc1nc(-c2ccc(Cl)s2)cs1 ZINC000022357512 171386110 /nfs/dbraw/zinc/38/61/10/171386110.db2.gz UASGTDPMGZOELE-UHFFFAOYSA-N 0 0 272.826 4.593 50 0 CJAARN O=C(/C=C/c1ccsc1)Oc1ccc2ccccc2c1 ZINC000022393997 171386783 /nfs/dbraw/zinc/38/67/83/171386783.db2.gz BUJOKWNKXZOVGR-VMPITWQZSA-N 0 0 280.348 4.520 50 0 CJAARN Cc1ccc(C)c(-c2csc(NCc3ccco3)n2)c1 ZINC000022459784 171387985 /nfs/dbraw/zinc/38/79/85/171387985.db2.gz LTTPDBKFPCHLQQ-UHFFFAOYSA-N 0 0 284.384 4.632 50 0 CJAARN Cc1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000022461284 171388180 /nfs/dbraw/zinc/38/81/80/171388180.db2.gz QAYUHQURRISBTI-UHFFFAOYSA-N 0 0 253.732 4.864 50 0 CJAARN COc1ccc(-c2nc3ccccc3c(C)c2C)cc1OC ZINC000022461311 171388328 /nfs/dbraw/zinc/38/83/28/171388328.db2.gz PPGACSUVHFTGQK-UHFFFAOYSA-N 0 0 293.366 4.536 50 0 CJAARN CC(C)(C)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000022562339 171391285 /nfs/dbraw/zinc/39/12/85/171391285.db2.gz USZDTOVNXNREPI-UHFFFAOYSA-N 0 0 289.325 4.515 50 0 CJAARN Cc1ccc(-c2cnn3c2nc(C)cc3-c2ccccc2)cc1 ZINC000022607320 171394292 /nfs/dbraw/zinc/39/42/92/171394292.db2.gz OEQWQGNOEKQCKZ-UHFFFAOYSA-N 0 0 299.377 4.680 50 0 CJAARN CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000022608921 171394373 /nfs/dbraw/zinc/39/43/73/171394373.db2.gz JDOHBPKOLAAJGE-SNVBAGLBSA-N 0 0 293.819 4.597 50 0 CJAARN CC[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000022608925 171394438 /nfs/dbraw/zinc/39/44/38/171394438.db2.gz JDOHBPKOLAAJGE-JTQLQIEISA-N 0 0 293.819 4.597 50 0 CJAARN CCC[C@@H](NC(=O)c1ccccc1SC)c1ccccc1 ZINC000022613237 171394238 /nfs/dbraw/zinc/39/42/38/171394238.db2.gz NNQPEHCAEPDUFZ-MRXNPFEDSA-N 0 0 299.439 4.680 50 0 CJAARN CCC[C@H](NC(=O)c1ccccc1SC)c1ccccc1 ZINC000022613239 171394090 /nfs/dbraw/zinc/39/40/90/171394090.db2.gz NNQPEHCAEPDUFZ-INIZCTEOSA-N 0 0 299.439 4.680 50 0 CJAARN CCCOc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000022620556 171394692 /nfs/dbraw/zinc/39/46/92/171394692.db2.gz JKPCHMAPLSOMQU-UHFFFAOYSA-N 0 0 281.355 4.900 50 0 CJAARN COc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1 ZINC000022622013 171394781 /nfs/dbraw/zinc/39/47/81/171394781.db2.gz LYAUQYZMJIIGNI-UHFFFAOYSA-N 0 0 281.355 4.801 50 0 CJAARN COc1cccc(-c2nc3cc(C(C)(C)C)ccc3o2)c1 ZINC000022622988 171394826 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/nfs/dbraw/zinc/39/86/39/171398639.db2.gz IDXJSFKYUJFTLN-UHFFFAOYSA-N 0 0 252.423 4.686 50 0 CJAARN CCc1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000022872850 567881699 /nfs/dbraw/zinc/88/16/99/567881699.db2.gz RQPZCARRYQEGGE-UHFFFAOYSA-N 0 0 281.380 4.716 50 0 CJAARN CC(C)(C)SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000022921099 567881508 /nfs/dbraw/zinc/88/15/08/567881508.db2.gz LDRSUQNEZGYQGV-UHFFFAOYSA-N 0 0 299.439 4.824 50 0 CJAARN c1cn(CCCCCCOc2cccc3ccccc32)cn1 ZINC000023115390 567888158 /nfs/dbraw/zinc/88/81/58/567888158.db2.gz XYTGIKPMWRTUNM-UHFFFAOYSA-N 0 0 294.398 4.676 50 0 CJAARN CC[C@@H](C)c1ccccc1NC(=O)Cc1ccccc1C ZINC000023116481 567881693 /nfs/dbraw/zinc/88/16/93/567881693.db2.gz TUCDYPZNUQNSKJ-CQSZACIVSA-N 0 0 281.399 4.690 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)Cc1ccccc1C ZINC000023116482 171412856 /nfs/dbraw/zinc/41/28/56/171412856.db2.gz TUCDYPZNUQNSKJ-AWEZNQCLSA-N 0 0 281.399 4.690 50 0 CJAARN COc1ccc(Nc2ccnc3ccc(Cl)cc32)cc1 ZINC000023118814 567881571 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/nfs/dbraw/zinc/88/21/16/567882116.db2.gz ATTTYLJWBVJAFK-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1sc(Nc2ccccn2)nc1-c1ccc(C)cc1 ZINC000023625525 567881833 /nfs/dbraw/zinc/88/18/33/567881833.db2.gz BVBLLKCTDPDCFR-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN CSc1ccc2c(C)cc(N3CCCCCC3)nc2c1 ZINC000023634035 567888608 /nfs/dbraw/zinc/88/86/08/567888608.db2.gz PBVLUBIGOQYYSF-UHFFFAOYSA-N 0 0 286.444 4.646 50 0 CJAARN COc1cccc2c(C)cc(NCCC3=CCCCC3)nc12 ZINC000023634397 567882120 /nfs/dbraw/zinc/88/21/20/567882120.db2.gz RDVQNXARFBQAPO-UHFFFAOYSA-N 0 0 296.414 4.854 50 0 CJAARN CCCN(CC1CC1)c1cc(C)c2ccc(Cl)cc2n1 ZINC000023634655 567882164 /nfs/dbraw/zinc/88/21/64/567882164.db2.gz JKAXGZFFPVGRTL-UHFFFAOYSA-N 0 0 288.822 4.823 50 0 CJAARN CCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000023681576 171426078 /nfs/dbraw/zinc/42/60/78/171426078.db2.gz JANMXUWQDFAWAQ-UHFFFAOYSA-N 0 0 294.807 4.592 50 0 CJAARN CSc1cccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000023735843 171426284 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/nfs/dbraw/zinc/88/34/19/567883419.db2.gz BSXYLWLWEKMXDI-UHFFFAOYSA-N 0 0 297.329 4.749 50 0 CJAARN Cc1c2cc(C)cc(C)c2oc1C(=O)N(C)c1ccccc1 ZINC000028228394 171552156 /nfs/dbraw/zinc/55/21/56/171552156.db2.gz JBMLVRWPWDCXJY-UHFFFAOYSA-N 0 0 293.366 4.635 50 0 CJAARN CCN(C(=O)c1oc2ccc(F)cc2c1C)c1ccccc1 ZINC000028228401 171551938 /nfs/dbraw/zinc/55/19/38/171551938.db2.gz WXVDJBKIIUGMAO-UHFFFAOYSA-N 0 0 297.329 4.547 50 0 CJAARN CC1(C(=O)OCC2C3CC4CC(C3)CC2C4)CCCCC1 ZINC000028294068 171555350 /nfs/dbraw/zinc/55/53/50/171555350.db2.gz PHVXHDUXTPERBM-UHFFFAOYSA-N 0 0 290.447 4.572 50 0 CJAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000028334266 260135259 /nfs/dbraw/zinc/13/52/59/260135259.db2.gz YOKWOCZLJUFEGD-UHFFFAOYSA-N 0 0 299.420 4.782 50 0 CJAARN COc1ccccc1-c1csc(-c2sccc2C)n1 ZINC000028334384 260135629 /nfs/dbraw/zinc/13/56/29/260135629.db2.gz IKTLQIXHOXFZKH-UHFFFAOYSA-N 0 0 287.409 4.856 50 0 CJAARN c1sc(C2CC2)nc1-c1ccc2ccccc2c1 ZINC000028334824 329537865 /nfs/dbraw/zinc/53/78/65/329537865.db2.gz DDDOERKQFWTOQE-UHFFFAOYSA-N 0 0 251.354 4.841 50 0 CJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)c1ccccc1 ZINC000028402926 567883554 /nfs/dbraw/zinc/88/35/54/567883554.db2.gz XSTLRPUIFXMWJV-UHFFFAOYSA-N 0 0 293.366 4.635 50 0 CJAARN CCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000028627843 171567147 /nfs/dbraw/zinc/56/71/47/171567147.db2.gz HJKAXJBZYISPAD-MLYOOKFZSA-N 0 0 298.426 4.511 50 0 CJAARN Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1C ZINC000029107480 567883781 /nfs/dbraw/zinc/88/37/81/567883781.db2.gz QJPQDHZJYPVMDL-UHFFFAOYSA-N 0 0 293.410 4.754 50 0 CJAARN Clc1ccc(Oc2ncnc3ccccc32)cc1Cl ZINC000029162253 567884000 /nfs/dbraw/zinc/88/40/00/567884000.db2.gz XKARKVLIROIDOO-UHFFFAOYSA-N 0 0 291.137 4.729 50 0 CJAARN CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1 ZINC000029227697 567156483 /nfs/dbraw/zinc/15/64/83/567156483.db2.gz OYAQUBKYAKSHOA-UHFFFAOYSA-N 0 0 270.372 4.670 50 0 biogenic,in-man CJAARN C[C@@H](Nc1nc2ccccc2o1)c1cc2ccccc2o1 ZINC000029386996 567884398 /nfs/dbraw/zinc/88/43/98/567884398.db2.gz OECHFHHVGISZEQ-LLVKDONJSA-N 0 0 278.311 4.747 50 0 CJAARN C[C@H](Nc1nc2ccccc2o1)c1cc2ccccc2o1 ZINC000029386999 171596481 /nfs/dbraw/zinc/59/64/81/171596481.db2.gz OECHFHHVGISZEQ-NSHDSACASA-N 0 0 278.311 4.747 50 0 CJAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000029494917 171601186 /nfs/dbraw/zinc/60/11/86/171601186.db2.gz AELMCFMUXCOUMI-MNOVXSKESA-N 0 0 298.213 4.527 50 0 CJAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000029494919 567884462 /nfs/dbraw/zinc/88/44/62/567884462.db2.gz AELMCFMUXCOUMI-QWRGUYRKSA-N 0 0 298.213 4.527 50 0 CJAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000029494920 171601063 /nfs/dbraw/zinc/60/10/63/171601063.db2.gz AELMCFMUXCOUMI-GHMZBOCLSA-N 0 0 298.213 4.527 50 0 CJAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000029494923 171601427 /nfs/dbraw/zinc/60/14/27/171601427.db2.gz AELMCFMUXCOUMI-WDEREUQCSA-N 0 0 298.213 4.527 50 0 CJAARN O=C(Nc1ccc(SC2CCCC2)cc1)C1CCCC1 ZINC000030183733 567884302 /nfs/dbraw/zinc/88/43/02/567884302.db2.gz RFHPBRHEJOEGEV-UHFFFAOYSA-N 0 0 289.444 4.850 50 0 CJAARN O=C(Nc1ccc(SC2CCCC2)cc1)c1ccco1 ZINC000030183793 567954639 /nfs/dbraw/zinc/95/46/39/567954639.db2.gz MEJCKZTURUPQCY-UHFFFAOYSA-N 0 0 287.384 4.567 50 0 CJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000030367446 567162672 /nfs/dbraw/zinc/16/26/72/567162672.db2.gz KXDOUGDRFXEISK-QGZVFWFLSA-N 0 0 299.801 4.626 50 0 CJAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000030367448 171616544 /nfs/dbraw/zinc/61/65/44/171616544.db2.gz KXDOUGDRFXEISK-KRWDZBQOSA-N 0 0 299.801 4.626 50 0 CJAARN Cc1ccc(-c2csc(-c3ccnc(Cl)c3)n2)cc1 ZINC000030447212 567884509 /nfs/dbraw/zinc/88/45/09/567884509.db2.gz ZSALOGOVQBXTKI-UHFFFAOYSA-N 0 0 286.787 4.834 50 0 CJAARN CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccccc1)N2 ZINC000030780184 567171849 /nfs/dbraw/zinc/17/18/49/567171849.db2.gz BKNHSYCWCPLZQU-DBVUQKKJSA-N 0 0 293.410 4.884 50 0 CJAARN Cc1cc(C)c2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccccc1)N2 ZINC000030780980 171623287 /nfs/dbraw/zinc/62/32/87/171623287.db2.gz WCCHGUMZPFCXTI-DBVUQKKJSA-N 0 0 293.410 4.938 50 0 CJAARN Fc1ccc(CSc2cccc3cccnc32)cc1 ZINC000030930088 567884774 /nfs/dbraw/zinc/88/47/74/567884774.db2.gz RYSIQBWPVYGEGX-UHFFFAOYSA-N 0 0 269.344 4.666 50 0 CJAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000031249389 567179792 /nfs/dbraw/zinc/17/97/92/567179792.db2.gz XEMXHDMFBKRPCW-CYBMUJFWSA-N 0 0 287.428 4.671 50 0 CJAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000031249391 567180548 /nfs/dbraw/zinc/18/05/48/567180548.db2.gz XEMXHDMFBKRPCW-ZDUSSCGKSA-N 0 0 287.428 4.671 50 0 CJAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000031403620 570400112 /nfs/dbraw/zinc/40/01/12/570400112.db2.gz SWOLLYBBNSUMNP-CYBMUJFWSA-N 0 0 295.407 4.701 50 0 CJAARN Cc1ccsc1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000031403624 171637577 /nfs/dbraw/zinc/63/75/77/171637577.db2.gz SWOLLYBBNSUMNP-ZDUSSCGKSA-N 0 0 295.407 4.701 50 0 CJAARN C(=C/c1ccc(/C=C\c2ccncc2)cc1)\c1ccncc1 ZINC000031429771 567901291 /nfs/dbraw/zinc/90/12/91/567901291.db2.gz QRZWEROLVZUPJH-CGXWXWIYSA-N 0 0 284.362 4.817 50 0 CJAARN CC(C)CSc1nc2ccccc2n1Cc1ccccc1 ZINC000031903420 567184514 /nfs/dbraw/zinc/18/45/14/567184514.db2.gz HRZXZMUFMLWNDM-UHFFFAOYSA-N 0 0 296.439 4.833 50 0 CJAARN CC(C)C(=O)Nc1ccc(-c2ccccc2)cc1Cl ZINC000031982471 567185513 /nfs/dbraw/zinc/18/55/13/567185513.db2.gz JDJXLQXHFJYKPJ-UHFFFAOYSA-N 0 0 273.763 4.602 50 0 CJAARN CCCc1cc(Cl)c2cc(Br)ccc2n1 ZINC000032099251 171696537 /nfs/dbraw/zinc/69/65/37/171696537.db2.gz QYFOGUDLBMGKHS-UHFFFAOYSA-N 0 0 284.584 4.603 50 0 CJAARN CC(C)c1cc(Cl)c2cc(Br)ccc2n1 ZINC000032099255 567885617 /nfs/dbraw/zinc/88/56/17/567885617.db2.gz CAXBASWOHWJJMH-UHFFFAOYSA-N 0 0 284.584 4.774 50 0 CJAARN CCCCc1cc(Cl)c2cc(Br)ccc2n1 ZINC000032099256 171696258 /nfs/dbraw/zinc/69/62/58/171696258.db2.gz FGMGBKLULQORBT-UHFFFAOYSA-N 0 0 298.611 4.993 50 0 CJAARN CCOc1ccc2nc(Cl)c(-c3ccccc3)cc2c1 ZINC000032099729 567885578 /nfs/dbraw/zinc/88/55/78/567885578.db2.gz QLVUVUHDGNAFHH-UHFFFAOYSA-N 0 0 283.758 4.954 50 0 CJAARN C=Cc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000032099771 171697016 /nfs/dbraw/zinc/69/70/16/171697016.db2.gz WRQUOKZRJAVFGC-UHFFFAOYSA-N 0 0 291.194 4.915 50 0 CJAARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000032106261 567087932 /nfs/dbraw/zinc/08/79/32/567087932.db2.gz IQTGYPBSQOZHAJ-HNNXBMFYSA-N 0 0 294.398 4.519 50 0 CJAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000032106264 567087622 /nfs/dbraw/zinc/08/76/22/567087622.db2.gz IQTGYPBSQOZHAJ-OAHLLOKOSA-N 0 0 294.398 4.519 50 0 CJAARN c1ccc(C2(c3ccccc3)OCc3ccccc32)cc1 ZINC000032131598 570338458 /nfs/dbraw/zinc/33/84/58/570338458.db2.gz WCVJCIOXWMPICT-UHFFFAOYSA-N 0 0 272.347 4.509 50 0 CJAARN Cc1cccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 ZINC000032175006 567190359 /nfs/dbraw/zinc/19/03/59/567190359.db2.gz IWVRIMAKDDSTFV-OAHLLOKOSA-N 0 0 296.414 4.558 50 0 CJAARN Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 ZINC000032175011 567190210 /nfs/dbraw/zinc/19/02/10/567190210.db2.gz IWVRIMAKDDSTFV-HNNXBMFYSA-N 0 0 296.414 4.558 50 0 CJAARN O=C(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000032178956 567885995 /nfs/dbraw/zinc/88/59/95/567885995.db2.gz RHOAOVIKZMOITD-UHFFFAOYSA-N 0 0 284.664 4.590 50 0 CJAARN O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000032179150 566859617 /nfs/dbraw/zinc/85/96/17/566859617.db2.gz CRMBMVSEYHSLBN-UHFFFAOYSA-N 0 0 285.557 4.878 50 0 CJAARN c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000032181955 566948295 /nfs/dbraw/zinc/94/82/95/566948295.db2.gz DBJTVZXFRHLTLT-FPOVZHCZSA-N 0 0 299.373 4.946 50 0 CJAARN c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000032181957 566948496 /nfs/dbraw/zinc/94/84/96/566948496.db2.gz DBJTVZXFRHLTLT-TZIWHRDSSA-N 0 0 299.373 4.946 50 0 CJAARN CCCCOc1ccc(-c2ccc(C)cc2)cc1C=O ZINC000032249651 567886116 /nfs/dbraw/zinc/88/61/16/567886116.db2.gz UMKHUUIWHQTONO-UHFFFAOYSA-N 0 0 268.356 4.653 50 0 CJAARN C(=C(/c1nc2ccccc2[nH]1)c1ccccc1)\c1ccco1 ZINC000032264864 567190503 /nfs/dbraw/zinc/19/05/03/567190503.db2.gz KYGAMCGYKBKDCD-DTQAZKPQSA-N 0 0 286.334 4.745 50 0 CJAARN COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC ZINC000032273312 567886064 /nfs/dbraw/zinc/88/60/64/567886064.db2.gz VKUIFKTUHLDCRV-UHFFFAOYSA-N 0 0 297.181 4.601 50 0 CJAARN COc1ccc(-c2ccc3cc(Cl)ccc3n2)c(OC)c1 ZINC000032537426 567194704 /nfs/dbraw/zinc/19/47/04/567194704.db2.gz NMLFDVVHQOLKMV-UHFFFAOYSA-N 0 0 299.757 4.572 50 0 CJAARN Cc1cccnc1-c1ccc2oc(-c3cccs3)nc2c1 ZINC000032576436 567862239 /nfs/dbraw/zinc/86/22/39/567862239.db2.gz HTIULKXGKVKOTC-UHFFFAOYSA-N 0 0 292.363 4.927 50 0 CJAARN COc1ccccc1-c1ccc2cc(Cl)ccc2n1 ZINC000032578233 567863429 /nfs/dbraw/zinc/86/34/29/567863429.db2.gz WUNVYFUCBFIQTI-UHFFFAOYSA-N 0 0 269.731 4.564 50 0 CJAARN Cc1cccc(NC(=O)Nc2cccc(Cl)c2C)c1C ZINC000032578970 567863637 /nfs/dbraw/zinc/86/36/37/567863637.db2.gz RABYSGWYAMGNCQ-UHFFFAOYSA-N 0 0 288.778 4.909 50 0 CJAARN COc1ccccc1-c1nc2ccc(Cl)cc2s1 ZINC000032593242 567886495 /nfs/dbraw/zinc/88/64/95/567886495.db2.gz WJQMTFAAWJGXHE-UHFFFAOYSA-N 0 0 275.760 4.625 50 0 CJAARN Fc1ccc2nccc(Nc3ccc(Cl)cc3)c2c1 ZINC000032607255 567863382 /nfs/dbraw/zinc/86/33/82/567863382.db2.gz ZIOIQVMWZGHLQE-UHFFFAOYSA-N 0 0 272.710 4.771 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)CNc2cccc(C)c2)cc1 ZINC000032679587 567864719 /nfs/dbraw/zinc/86/47/19/567864719.db2.gz WEWODQAHDKUBIZ-OAHLLOKOSA-N 0 0 296.414 4.559 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)CNc2cccc(C)c2)cc1 ZINC000032679588 567864745 /nfs/dbraw/zinc/86/47/45/567864745.db2.gz WEWODQAHDKUBIZ-HNNXBMFYSA-N 0 0 296.414 4.559 50 0 CJAARN Cc1ccc(NCc2ncc(-c3ccccc3)o2)cc1Cl ZINC000032679596 171744462 /nfs/dbraw/zinc/74/44/62/171744462.db2.gz RCEOBFCBGSZTLF-UHFFFAOYSA-N 0 0 298.773 4.916 50 0 CJAARN CN(C(=O)c1sccc1-c1ccccc1)c1ccccc1 ZINC000032679791 567864606 /nfs/dbraw/zinc/86/46/06/567864606.db2.gz HPVVCDMNULAELO-UHFFFAOYSA-N 0 0 293.391 4.692 50 0 CJAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000032709501 567948675 /nfs/dbraw/zinc/94/86/75/567948675.db2.gz WRXFQTGFTYURMF-OAHLLOKOSA-N 0 0 299.439 4.731 50 0 CJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000032709502 171744999 /nfs/dbraw/zinc/74/49/99/171744999.db2.gz WRXFQTGFTYURMF-HNNXBMFYSA-N 0 0 299.439 4.731 50 0 CJAARN O=C(CC1CCCC1)Nc1ccc(Nc2ccccc2)cc1 ZINC000032720168 567866707 /nfs/dbraw/zinc/86/67/07/567866707.db2.gz IHFAQLFCQHCJFI-UHFFFAOYSA-N 0 0 294.398 4.949 50 0 CJAARN O=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032739253 567867639 /nfs/dbraw/zinc/86/76/39/567867639.db2.gz ATQYEGNNBBBSNI-AWEZNQCLSA-N 0 0 289.378 4.553 50 0 CJAARN O=C(C[C@@H]1C=CCC1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000032739254 567867617 /nfs/dbraw/zinc/86/76/17/567867617.db2.gz ATQYEGNNBBBSNI-CQSZACIVSA-N 0 0 289.378 4.553 50 0 CJAARN CC(C)c1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000032760091 567948549 /nfs/dbraw/zinc/94/85/49/567948549.db2.gz ULKUOJWWQCLGRI-UHFFFAOYSA-N 0 0 296.345 4.683 50 0 CJAARN CC(C)CCN(C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000032779616 570222617 /nfs/dbraw/zinc/22/26/17/570222617.db2.gz MEMNHWGQLKNUAY-UHFFFAOYSA-N 0 0 296.414 4.882 50 0 CJAARN CCn1cc(C(=O)Nc2cccc(C)c2C)c2ccccc21 ZINC000032784510 171750853 /nfs/dbraw/zinc/75/08/53/171750853.db2.gz BOOURLWJEUOPKY-UHFFFAOYSA-N 0 0 292.382 4.530 50 0 CJAARN Cc1ccsc1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000032796998 260145779 /nfs/dbraw/zinc/14/57/79/260145779.db2.gz TXSUWHRLAPSDAU-UHFFFAOYSA-N 0 0 299.439 4.513 50 0 CJAARN Cc1cccc(N[C@H](C)c2nnc(-c3ccccc3)o2)c1C ZINC000032806139 260146216 /nfs/dbraw/zinc/14/62/16/260146216.db2.gz POTSXAYFKARYSF-CQSZACIVSA-N 0 0 293.370 4.527 50 0 CJAARN Cc1cccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1C ZINC000032806141 260146005 /nfs/dbraw/zinc/14/60/05/260146005.db2.gz POTSXAYFKARYSF-AWEZNQCLSA-N 0 0 293.370 4.527 50 0 CJAARN COc1cccc2cc(-c3cc(C)c4ccccc4n3)oc21 ZINC000032814509 567868912 /nfs/dbraw/zinc/86/89/12/567868912.db2.gz ZLVVSYGBZOHCMT-UHFFFAOYSA-N 0 0 289.334 4.965 50 0 CJAARN CC(=O)c1c(C)cc(C)c(CNc2ccc(C)c(F)c2)c1C ZINC000032819336 567869006 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Cc1ccc(Nc2nc(-c3cc(C)ccc3C)cs2)nc1 ZINC000033297003 567907037 /nfs/dbraw/zinc/90/70/37/567907037.db2.gz MMSIFCQILHZGAH-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccc(Nc2nc(-c3ccccc3C)cs2)nc1 ZINC000033297004 567907060 /nfs/dbraw/zinc/90/70/60/567907060.db2.gz HOVHOWVXYYSLGT-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN S=C(/C=C\c1ccccc1)Nc1ccc(Cl)cc1 ZINC000033305673 567886822 /nfs/dbraw/zinc/88/68/22/567886822.db2.gz LDIYRRVAJPPRNX-WDZFZDKYSA-N 0 0 273.788 4.793 50 0 CJAARN Cc1cc(C)cc(NC(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000033311029 570253166 /nfs/dbraw/zinc/25/31/66/570253166.db2.gz YJOVIEGAARYXPR-SREVYHEPSA-N 0 0 285.774 4.609 50 0 CJAARN CCc1cccc(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000033311077 570253177 /nfs/dbraw/zinc/25/31/77/570253177.db2.gz JPOWEUYUOWBIPH-KHPPLWFESA-N 0 0 285.774 4.554 50 0 CJAARN CCc1cccc(CC)c1NC(=O)/C=C\c1cccs1 ZINC000033314880 570253016 /nfs/dbraw/zinc/25/30/16/570253016.db2.gz BJYSHKHOAOQGJN-KHPPLWFESA-N 0 0 285.412 4.525 50 0 CJAARN Cc1ccc(C)c(NC(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000033316718 570253540 /nfs/dbraw/zinc/25/35/40/570253540.db2.gz SJDYCVTXMLDOIY-HJWRWDBZSA-N 0 0 285.774 4.609 50 0 CJAARN Cc1cccc(C)c1NC(=O)/C=C\c1cccc(Cl)c1 ZINC000033316774 570253527 /nfs/dbraw/zinc/25/35/27/570253527.db2.gz KGYYFJQQMITZNV-KTKRTIGZSA-N 0 0 285.774 4.609 50 0 CJAARN O=[N+]([O-])/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000033317183 570253558 /nfs/dbraw/zinc/25/35/58/570253558.db2.gz FSMFODSUZBJHRZ-WAYWQWQTSA-N 0 0 284.098 4.501 50 0 CJAARN O=C(/C=C\c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000033317204 570253387 /nfs/dbraw/zinc/25/33/87/570253387.db2.gz SPATYDHSVFVMPJ-FPLPWBNLSA-N 0 0 292.165 4.645 50 0 CJAARN O=C1O/C(=C/c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000033317442 570253487 /nfs/dbraw/zinc/25/34/87/570253487.db2.gz HQTZOLYGVQALEU-RIYZIHGNSA-N 0 0 291.133 4.662 50 0 CJAARN Cc1ccc(/C=C\C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000033318448 570253448 /nfs/dbraw/zinc/25/34/48/570253448.db2.gz YFEQCQBUWSYQCQ-KTKRTIGZSA-N 0 0 279.383 4.572 50 0 CJAARN Cc1cc2[nH]c(COc3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000033327188 171784243 /nfs/dbraw/zinc/78/42/43/171784243.db2.gz YTROOUYZJLWRNN-UHFFFAOYSA-N 0 0 294.398 4.882 50 0 CJAARN CCc1cccc(C)c1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033329333 570253944 /nfs/dbraw/zinc/25/39/44/570253944.db2.gz QSZWKBOVLLIBJB-XFXZXTDPSA-N 0 0 299.801 4.863 50 0 CJAARN Cc1ccc([S@@](=O)C(F)C=CCc2ccccc2)cc1 ZINC000033347514 567886717 /nfs/dbraw/zinc/88/67/17/567886717.db2.gz JQYYXKQSFWGZJR-MESSXYGASA-N 0 0 288.387 4.546 50 0 CJAARN CC(C)c1ccc(/C=C\C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000033377400 567910707 /nfs/dbraw/zinc/91/07/07/567910707.db2.gz CBCACCJZHCLRGB-KJDULYMCSA-N 0 0 285.431 4.518 50 0 CJAARN C(=C\c1ccccc1)\CSc1nc2ccccc2o1 ZINC000033405967 570311939 /nfs/dbraw/zinc/31/19/39/570311939.db2.gz MJAISNPCHCLOFR-TWGQIWQCSA-N 0 0 267.353 4.633 50 0 CJAARN CC(C)Nc1nc(/C=C\c2ccccc2)nc2ccccc21 ZINC000033420458 570266425 /nfs/dbraw/zinc/26/64/25/570266425.db2.gz YVSZBWWKLFVJHI-SEYXRHQNSA-N 0 0 289.382 4.621 50 0 CJAARN CCc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 ZINC000033430316 171796052 /nfs/dbraw/zinc/79/60/52/171796052.db2.gz PPCRMTAABFXSNI-BENRWUELSA-N 0 0 275.351 4.673 50 0 CJAARN Oc1cccc2ccc(/C=C\c3c(F)cccc3Cl)nc12 ZINC000033430477 171795888 /nfs/dbraw/zinc/79/58/88/171795888.db2.gz HTZQBTSTUKBGDD-KTKRTIGZSA-N 0 0 299.732 4.903 50 0 CJAARN CC[C@@H](C)c1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000033455686 570267112 /nfs/dbraw/zinc/26/71/12/570267112.db2.gz KGSGDBYPEAIYMJ-CNTYAEFGSA-N 0 0 297.373 4.991 50 0 CJAARN CC[C@H](C)c1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000033455688 171804106 /nfs/dbraw/zinc/80/41/06/171804106.db2.gz KGSGDBYPEAIYMJ-XMRSSTEGSA-N 0 0 297.373 4.991 50 0 CJAARN O=C(Nc1ccccc1)N(Cc1ccccc1)CC1CCC1 ZINC000033458609 171804326 /nfs/dbraw/zinc/80/43/26/171804326.db2.gz SXASQGSJXSZHHV-UHFFFAOYSA-N 0 0 294.398 4.521 50 0 CJAARN O=C(/C=C\c1cccc(F)c1)Nc1cccc2ccccc21 ZINC000033469809 171804907 /nfs/dbraw/zinc/80/49/07/171804907.db2.gz CYFYSZCWKFBMGX-QXMHVHEDSA-N 0 0 291.325 4.631 50 0 CJAARN FC(F)Oc1ccc(/C=C\c2nc3ccccc3o2)cc1 ZINC000033477184 171805397 /nfs/dbraw/zinc/80/53/97/171805397.db2.gz YDQOJZIWBNOHEM-YFHOEESVSA-N 0 0 287.265 4.600 50 0 CJAARN Cc1ccc(/C=C\c2ccc3ccccc3n2)s1 ZINC000033504892 171808453 /nfs/dbraw/zinc/80/84/53/171808453.db2.gz UJLIXXCDBNQTAG-LUAWRHEFSA-N 0 0 251.354 4.775 50 0 CJAARN Cl/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000033528137 567949006 /nfs/dbraw/zinc/94/90/06/567949006.db2.gz KKYQBQSAPFVTQK-FMIVXFBMSA-N 0 0 289.165 4.953 50 0 CJAARN Clc1ccccc1/C=C\c1nc(-c2ccccc2)no1 ZINC000033528153 567927389 /nfs/dbraw/zinc/92/73/89/567927389.db2.gz WTAJEHRVTWKGSJ-KHPPLWFESA-N 0 0 282.730 4.560 50 0 CJAARN Cc1ccc(CNC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000033594253 171814182 /nfs/dbraw/zinc/81/41/82/171814182.db2.gz OOFQSTFMPDMILH-UHFFFAOYSA-N 0 0 296.414 4.749 50 0 CJAARN Cc1ccc(C(C)C)c(OC(=O)CCc2ccccc2)c1 ZINC000033608251 567928003 /nfs/dbraw/zinc/92/80/03/567928003.db2.gz UIAMPVMLJIBABC-UHFFFAOYSA-N 0 0 282.383 4.657 50 0 CJAARN C[C@@H]1CC(=O)c2cc3c(cc21)C(C)(C)[C@@H](C)C3(C)C ZINC000033609795 328752557 /nfs/dbraw/zinc/75/25/57/328752557.db2.gz WWKFORUUJNAPKB-GHMZBOCLSA-N 0 0 256.389 4.581 50 0 CJAARN C[C@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@@H](C)CC3=O ZINC000033609797 328752493 /nfs/dbraw/zinc/75/24/93/328752493.db2.gz WWKFORUUJNAPKB-WDEREUQCSA-N 0 0 256.389 4.581 50 0 CJAARN C[C@@H]1CC(=O)c2cc3c(cc21)C(C)(C)[C@H](C)C3(C)C ZINC000033609799 566914852 /nfs/dbraw/zinc/91/48/52/566914852.db2.gz WWKFORUUJNAPKB-MNOVXSKESA-N 0 0 256.389 4.581 50 0 CJAARN C[C@H]1CC(=O)c2cc3c(cc21)C(C)(C)[C@H](C)C3(C)C ZINC000033609800 566914810 /nfs/dbraw/zinc/91/48/10/566914810.db2.gz WWKFORUUJNAPKB-QWRGUYRKSA-N 0 0 256.389 4.581 50 0 CJAARN Cc1ccc(/C=C\c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000033631205 171815735 /nfs/dbraw/zinc/81/57/35/171815735.db2.gz GGTZYUBYLVSZEV-XFXZXTDPSA-N 0 0 276.339 4.524 50 0 CJAARN Cc1ccc(OC(=O)/C=C\c2ccco2)c(C(C)(C)C)c1 ZINC000033709376 171818767 /nfs/dbraw/zinc/81/87/67/171818767.db2.gz NXHCMRDADMWVNF-NTMALXAHSA-N 0 0 284.355 4.504 50 0 CJAARN O=C1c2ccccc2/C(=C/c2ccccc2)N1c1ccccc1 ZINC000033741544 171819422 /nfs/dbraw/zinc/81/94/22/171819422.db2.gz GPQOMNXGBOOTIB-HKWRFOASSA-N 0 0 297.357 4.845 50 0 CJAARN O=C1c2ccccc2/C(=C\c2ccccc2)N1c1ccccc1 ZINC000033741545 567928140 /nfs/dbraw/zinc/92/81/40/567928140.db2.gz GPQOMNXGBOOTIB-HMMYKYKNSA-N 0 0 297.357 4.845 50 0 CJAARN Cc1ccc(/C=C\c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000033850251 171822758 /nfs/dbraw/zinc/82/27/58/171822758.db2.gz ZVNPQHHQIVQYPI-KHPPLWFESA-N 0 0 276.339 4.524 50 0 CJAARN Clc1cccc(/C=C\c2nc3ccccc3o2)c1 ZINC000033931298 171827017 /nfs/dbraw/zinc/82/70/17/171827017.db2.gz KIRRDBGOBPNPPO-HJWRWDBZSA-N 0 0 255.704 4.652 50 0 CJAARN C[C@@H]1C(=O)C[C@@H](c2ccccc2)S[C@H]1c1ccccc1 ZINC000033945310 567088814 /nfs/dbraw/zinc/08/88/14/567088814.db2.gz AWPQVIKLETXMPM-JEBQAFNWSA-N 0 0 282.408 4.811 50 0 CJAARN C[C@@H]1C(=O)C[C@@H](c2ccccc2)S[C@@H]1c1ccccc1 ZINC000033945312 567886971 /nfs/dbraw/zinc/88/69/71/567886971.db2.gz AWPQVIKLETXMPM-BVGQSLNGSA-N 0 0 282.408 4.811 50 0 CJAARN CCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000033952140 567887096 /nfs/dbraw/zinc/88/70/96/567887096.db2.gz UMHZLWGUGIPASA-UHFFFAOYSA-N 0 0 253.556 4.826 50 0 CJAARN CCn1c2ccccc2c2cc(NC(=O)C(C)(C)C)ccc21 ZINC000033977126 570316419 /nfs/dbraw/zinc/31/64/19/570316419.db2.gz NQCAWWLKVMBESF-UHFFFAOYSA-N 0 0 294.398 4.799 50 0 CJAARN O=Cc1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000033979862 567886945 /nfs/dbraw/zinc/88/69/45/567886945.db2.gz RPHLDCKUUAGNAC-UHFFFAOYSA-N 0 0 271.319 4.596 50 0 CJAARN FC(F)(F)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000034092383 567886988 /nfs/dbraw/zinc/88/69/88/567886988.db2.gz XROFWOWMCNTKFO-UHFFFAOYSA-N 0 0 284.879 4.714 50 0 CJAARN Fc1ccc(-c2cc(Cl)nc3ccccc32)cc1 ZINC000034142732 567057696 /nfs/dbraw/zinc/05/76/96/567057696.db2.gz FXESZDQRNFIGFT-UHFFFAOYSA-N 0 0 257.695 4.694 50 0 CJAARN Clc1cccc(NCCNc2cccc(Cl)c2)c1 ZINC000034263472 171835783 /nfs/dbraw/zinc/83/57/83/171835783.db2.gz OKPDSJQSGDLGOF-UHFFFAOYSA-N 0 0 281.186 4.517 50 0 CJAARN Clc1ccc2c(c1)nccc2Oc1ccccc1 ZINC000034309973 567886943 /nfs/dbraw/zinc/88/69/43/567886943.db2.gz MCZMMMMRPAAMQX-UHFFFAOYSA-N 0 0 255.704 4.681 50 0 CJAARN Brc1ccc2c(c1)Cc1ccccc1CS2 ZINC000034327774 567932377 /nfs/dbraw/zinc/93/23/77/567932377.db2.gz KHZHVMOPCBNNEL-UHFFFAOYSA-N 0 0 291.213 4.646 50 0 CJAARN COc1ccc(-c2cccc(OCc3ccccc3)c2)cc1 ZINC000034440955 567887669 /nfs/dbraw/zinc/88/76/69/567887669.db2.gz JRUUDJIJHJSUFA-UHFFFAOYSA-N 0 0 290.362 4.941 50 0 CJAARN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccccc3)n[nH]c21 ZINC000034496777 567933100 /nfs/dbraw/zinc/93/31/00/567933100.db2.gz CLTINXZUQWHNMS-TZMCWYRMSA-N 0 0 254.377 4.714 50 0 CJAARN CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccccc3)n[nH]c21 ZINC000034496778 566953871 /nfs/dbraw/zinc/95/38/71/566953871.db2.gz CLTINXZUQWHNMS-JSGCOSHPSA-N 0 0 254.377 4.714 50 0 CJAARN COc1ccc([C@]2(C)CC(C)(C)c3cc(OC)ccc32)cc1 ZINC000034538742 566953987 /nfs/dbraw/zinc/95/39/87/566953987.db2.gz OBZVVCYIELKEMP-FQEVSTJZSA-N 0 0 296.410 4.691 50 0 CJAARN COc1ccc([C@@]2(C)CC(C)(C)c3cc(OC)ccc32)cc1 ZINC000034538743 566953836 /nfs/dbraw/zinc/95/38/36/566953836.db2.gz OBZVVCYIELKEMP-HXUWFJFHSA-N 0 0 296.410 4.691 50 0 CJAARN CCCOc1ccc(-c2ccc(Br)cc2)cc1 ZINC000034601129 567888862 /nfs/dbraw/zinc/88/88/62/567888862.db2.gz IJXSFDQUTFXKTB-UHFFFAOYSA-N 0 0 291.188 4.905 50 0 CJAARN Cc1ccsc1/C=C\c1ccc2ccccc2n1 ZINC000034690986 171863210 /nfs/dbraw/zinc/86/32/10/171863210.db2.gz TZZRBHONFLVZSC-HJWRWDBZSA-N 0 0 251.354 4.775 50 0 CJAARN CCOc1ccc(-c2ccc(Br)cc2)cc1 ZINC000034751441 567888739 /nfs/dbraw/zinc/88/87/39/567888739.db2.gz KTNZDANAUJJRBF-UHFFFAOYSA-N 0 0 277.161 4.515 50 0 CJAARN Cc1ccc(/C=C\c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000034782447 567851931 /nfs/dbraw/zinc/85/19/31/567851931.db2.gz HIAXARFTNCDONH-WDZFZDKYSA-N 0 0 296.757 4.869 50 0 CJAARN C/C(=C/c1ccccc1)[C@@H](C)OC(=O)Nc1ccccc1 ZINC000034799367 567852254 /nfs/dbraw/zinc/85/22/54/567852254.db2.gz KRJHZOAKQJDFOU-SEWDUPMJSA-N 0 0 281.355 4.727 50 0 CJAARN CC(C)(C)c1ccc(-c2coc3ccc(F)cc3c2=O)cc1 ZINC000034909606 567852406 /nfs/dbraw/zinc/85/24/06/567852406.db2.gz IRSWRJLMSIEALB-UHFFFAOYSA-N 0 0 296.341 4.897 50 0 CJAARN Cc1cc(-c2coc3ccc(Cl)cc3c2=O)ccc1F ZINC000034909616 567852398 /nfs/dbraw/zinc/85/23/98/567852398.db2.gz GBTNMYQWRSDGNE-UHFFFAOYSA-N 0 0 288.705 4.561 50 0 CJAARN Cc1cc(C)cc(-c2coc3ccc(Cl)cc3c2=O)c1 ZINC000034909620 567852365 /nfs/dbraw/zinc/85/23/65/567852365.db2.gz FNWMHRWXFPXEPY-UHFFFAOYSA-N 0 0 284.742 4.730 50 0 CJAARN Cc1ccc(C)c2sc(NCc3ccccc3)nc21 ZINC000034936030 567888908 /nfs/dbraw/zinc/88/89/08/567888908.db2.gz SUCRAPKCWWRGHJ-UHFFFAOYSA-N 0 0 268.385 4.525 50 0 CJAARN CC(C)(C)c1cccc2sc(NCc3cccnc3)nc21 ZINC000034936033 567888984 /nfs/dbraw/zinc/88/89/84/567888984.db2.gz MSEJXLLPPPUFBN-UHFFFAOYSA-N 0 0 297.427 4.601 50 0 CJAARN Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034976819 567888982 /nfs/dbraw/zinc/88/89/82/567888982.db2.gz PKHLPGHYWTUEQV-UHFFFAOYSA-N 0 0 265.139 4.533 50 0 CJAARN CCC[C@H]1CC[C@H](c2ccc(Br)cc2)OC1 ZINC000035029179 566842801 /nfs/dbraw/zinc/84/28/01/566842801.db2.gz SPEIHKLAKHRGBU-SMDDNHRTSA-N 0 0 283.209 4.717 50 0 CJAARN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(F)cc1F ZINC000035043210 566842487 /nfs/dbraw/zinc/84/24/87/566842487.db2.gz VRLZUYGWPDDGJR-ZETOZRRWSA-N 0 0 291.341 4.532 50 0 CJAARN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(F)cc1F ZINC000035043213 566844098 /nfs/dbraw/zinc/84/40/98/566844098.db2.gz VRLZUYGWPDDGJR-PGUXBMHVSA-N 0 0 291.341 4.532 50 0 CJAARN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(F)cc1F ZINC000035043216 566842464 /nfs/dbraw/zinc/84/24/64/566842464.db2.gz VRLZUYGWPDDGJR-JRPNMDOOSA-N 0 0 291.341 4.532 50 0 CJAARN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(F)cc1F ZINC000035043219 566843886 /nfs/dbraw/zinc/84/38/86/566843886.db2.gz VRLZUYGWPDDGJR-ZIBATOQPSA-N 0 0 291.341 4.532 50 0 CJAARN CC(C)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134627 172001466 /nfs/dbraw/zinc/00/14/66/172001466.db2.gz INCCOSWVDMMWRJ-UHFFFAOYSA-N 0 0 278.355 4.544 50 0 CJAARN CC(C)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134711 172001715 /nfs/dbraw/zinc/00/17/15/172001715.db2.gz OLRWCQKWRBIMRU-UHFFFAOYSA-N 0 0 278.355 4.544 50 0 CJAARN Fc1ccc(-c2nc(CNc3ccccc3)cs2)cc1 ZINC000035163427 172024693 /nfs/dbraw/zinc/02/46/93/172024693.db2.gz VAFSTFHLWAJCMM-UHFFFAOYSA-N 0 0 284.359 4.561 50 0 CJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccccc1 ZINC000035193728 172044458 /nfs/dbraw/zinc/04/44/58/172044458.db2.gz HDPFJNHRRLYGLW-FVQBIDKESA-N 0 0 275.392 4.696 50 0 CJAARN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccccc1 ZINC000035193730 172044451 /nfs/dbraw/zinc/04/44/51/172044451.db2.gz HDPFJNHRRLYGLW-NUEKZKHPSA-N 0 0 275.392 4.696 50 0 CJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccccc1 ZINC000035193732 172044797 /nfs/dbraw/zinc/04/47/97/172044797.db2.gz HDPFJNHRRLYGLW-VNQPRFMTSA-N 0 0 275.392 4.696 50 0 CJAARN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccccc1 ZINC000035193734 172044428 /nfs/dbraw/zinc/04/44/28/172044428.db2.gz HDPFJNHRRLYGLW-CWRNSKLLSA-N 0 0 275.392 4.696 50 0 CJAARN Cc1ccc(/C=C\c2nc3ccccc3s2)s1 ZINC000035313724 172122768 /nfs/dbraw/zinc/12/27/68/172122768.db2.gz ZUYVBHYVAUAAQA-HJWRWDBZSA-N 0 0 257.383 4.837 50 0 CJAARN Cc1cccc(C)c1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000035318007 172122849 /nfs/dbraw/zinc/12/28/49/172122849.db2.gz ISWUNPRTMLNFOL-FLIBITNWSA-N 0 0 285.774 4.609 50 0 CJAARN O=C(/C=C\c1ccc(F)cc1)Nc1ccc2ccccc2c1 ZINC000035330349 172130167 /nfs/dbraw/zinc/13/01/67/172130167.db2.gz TTZWAWCLPIOWCV-GHXNOFRVSA-N 0 0 291.325 4.631 50 0 CJAARN Cc1cc(N(C)C2CCCCC2)nc2cc(Cl)ccc12 ZINC000035337227 172132563 /nfs/dbraw/zinc/13/25/63/172132563.db2.gz JUYGTBPJAHZINM-UHFFFAOYSA-N 0 0 288.822 4.966 50 0 CJAARN Cc1cc(N2CCCCCC2)nc2cc(Cl)ccc12 ZINC000035337270 172132484 /nfs/dbraw/zinc/13/24/84/172132484.db2.gz SPYJGTMBEXKIRC-UHFFFAOYSA-N 0 0 274.795 4.577 50 0 CJAARN Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1cccs1)N2 ZINC000035360408 172151806 /nfs/dbraw/zinc/15/18/06/172151806.db2.gz HMSVJRMMRGMPKQ-JCURWCKSSA-N 0 0 285.412 4.691 50 0 CJAARN Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccs1)N2 ZINC000035360410 172151927 /nfs/dbraw/zinc/15/19/27/172151927.db2.gz HMSVJRMMRGMPKQ-CSMYWGQOSA-N 0 0 285.412 4.691 50 0 CJAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000035360425 172151686 /nfs/dbraw/zinc/15/16/86/172151686.db2.gz QGNXKIRWSQZUJN-JCGIZDLHSA-N 0 0 299.801 4.893 50 0 CJAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000035360427 172151968 /nfs/dbraw/zinc/15/19/68/172151968.db2.gz QGNXKIRWSQZUJN-FHLIZLRMSA-N 0 0 299.801 4.893 50 0 CJAARN CCSc1nccn2nc(-c3ccc(C(C)C)cc3)cc12 ZINC000035480852 172222203 /nfs/dbraw/zinc/22/22/03/172222203.db2.gz KGJAADYBRDFKDN-UHFFFAOYSA-N 0 0 297.427 4.632 50 0 CJAARN Cc1ccc(Oc2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000035557000 172262726 /nfs/dbraw/zinc/26/27/26/172262726.db2.gz OVZIRJXRNFJFQE-UHFFFAOYSA-N 0 0 292.338 4.715 50 0 CJAARN Fc1ccc(CSc2ccc3ccccc3n2)cc1 ZINC000035655312 172331541 /nfs/dbraw/zinc/33/15/41/172331541.db2.gz KYIRGUUBVGMEKU-UHFFFAOYSA-N 0 0 269.344 4.666 50 0 CJAARN CCCOc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000035672124 172344143 /nfs/dbraw/zinc/34/41/43/172344143.db2.gz BLEYRFGHAWBYII-UHFFFAOYSA-N 0 0 294.354 4.501 50 0 CJAARN Cc1ccc(-c2oc(-c3ccccc3)nc2Cl)cc1 ZINC000035681816 172353637 /nfs/dbraw/zinc/35/36/37/172353637.db2.gz FTMLQXOZQWRIEU-UHFFFAOYSA-N 0 0 269.731 4.970 50 0 CJAARN Cc1ccc(-c2ncc(Sc3ccccc3)o2)cc1 ZINC000035681817 172353487 /nfs/dbraw/zinc/35/34/87/172353487.db2.gz QPLCMHWWZWWJQT-UHFFFAOYSA-N 0 0 267.353 4.801 50 0 CJAARN Clc1ccnc2ccc(Oc3ccccc3)cc12 ZINC000035731088 172381484 /nfs/dbraw/zinc/38/14/84/172381484.db2.gz JVTJCMGFQPGDDT-UHFFFAOYSA-N 0 0 255.704 4.681 50 0 CJAARN C[C@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@H]1CCC2=O ZINC000036088155 567088668 /nfs/dbraw/zinc/08/86/68/567088668.db2.gz AFGDPPHTYUQKOF-RFLLJTPXSA-N 0 0 272.432 4.908 50 0 CJAARN Cc1cc(N2CCCCCCC2)nc2cc(Cl)ccc12 ZINC000036252693 570233603 /nfs/dbraw/zinc/23/36/03/570233603.db2.gz KWHRYDIOJUBQRP-UHFFFAOYSA-N 0 0 288.822 4.967 50 0 CJAARN CC(=O)OC1CCC(C(C)(C)C2CCCCC2)CC1 ZINC000036354664 567889326 /nfs/dbraw/zinc/88/93/26/567889326.db2.gz NRLASGYEEMPJBX-UHFFFAOYSA-N 0 0 266.425 4.715 50 0 CJAARN C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CCCC[C@]3(C)[C@@H]1CC2 ZINC000036370817 567088768 /nfs/dbraw/zinc/08/87/68/567088768.db2.gz YWCJOFRPTFJZBC-HTPGJIGFSA-N 0 0 276.464 4.780 50 0 CJAARN C[C@@]12CC[C@H](O)[C@H]1[C@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]1CC2 ZINC000036370821 567087669 /nfs/dbraw/zinc/08/76/69/567087669.db2.gz LFYXIRUBYZVZTH-RTAVLQBUSA-N 0 0 276.464 4.780 50 0 CJAARN Nc1ccc(/C=C/c2cc(Cl)nc3ccccc23)cc1 ZINC000036381104 567889248 /nfs/dbraw/zinc/88/92/48/567889248.db2.gz JWDMBNIFRTYEAN-VMPITWQZSA-N 0 0 280.758 4.641 50 0 CJAARN CCNc1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000036382742 172628081 /nfs/dbraw/zinc/62/80/81/172628081.db2.gz YMKAPPNVTZDTPW-JXMROGBWSA-N 0 0 274.367 4.837 50 0 CJAARN CSc1ccc([C@H](C)Nc2nc3ccccc3o2)cc1 ZINC000036393370 172631754 /nfs/dbraw/zinc/63/17/54/172631754.db2.gz XAAGOPOLPONMJP-NSHDSACASA-N 0 0 284.384 4.723 50 0 CJAARN CSc1ccc([C@@H](C)Nc2nc3ccccc3o2)cc1 ZINC000036393371 172631472 /nfs/dbraw/zinc/63/14/72/172631472.db2.gz XAAGOPOLPONMJP-LLVKDONJSA-N 0 0 284.384 4.723 50 0 CJAARN Cc1nc2ccccc2nc1Oc1ccc(F)cc1Cl ZINC000036393966 172631710 /nfs/dbraw/zinc/63/17/10/172631710.db2.gz DMMKFBMCMKGOAS-UHFFFAOYSA-N 0 0 288.709 4.523 50 0 CJAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c(C)s1 ZINC000036394451 172632190 /nfs/dbraw/zinc/63/21/90/172632190.db2.gz NIGHUJZKOWLPQV-QMMMGPOBSA-N 0 0 299.848 4.571 50 0 CJAARN Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)c(C)s1 ZINC000036394452 567001876 /nfs/dbraw/zinc/00/18/76/567001876.db2.gz NIGHUJZKOWLPQV-MRVPVSSYSA-N 0 0 299.848 4.571 50 0 CJAARN CCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000036613731 172641238 /nfs/dbraw/zinc/64/12/38/172641238.db2.gz SEJAWPMGSULCKH-UHFFFAOYSA-N 0 0 291.345 4.520 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000036620332 567889501 /nfs/dbraw/zinc/88/95/01/567889501.db2.gz HQJAYIMAYPUKEI-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000036620333 567889423 /nfs/dbraw/zinc/88/94/23/567889423.db2.gz HQJAYIMAYPUKEI-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000036620394 172641874 /nfs/dbraw/zinc/64/18/74/172641874.db2.gz CDQHIYDSMSSAFR-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000036620395 567889461 /nfs/dbraw/zinc/88/94/61/567889461.db2.gz CDQHIYDSMSSAFR-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2C)cc1 ZINC000036620421 567889398 /nfs/dbraw/zinc/88/93/98/567889398.db2.gz IFNKAGUFZBWAQY-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2C)cc1 ZINC000036620422 567889434 /nfs/dbraw/zinc/88/94/34/567889434.db2.gz IFNKAGUFZBWAQY-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1 ZINC000036620443 567889411 /nfs/dbraw/zinc/88/94/11/567889411.db2.gz HUHLIPRKASIMDY-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1 ZINC000036620444 567889407 /nfs/dbraw/zinc/88/94/07/567889407.db2.gz HUHLIPRKASIMDY-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000036620449 567889490 /nfs/dbraw/zinc/88/94/90/567889490.db2.gz KLXGZVSEQXBWII-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000036620450 567889242 /nfs/dbraw/zinc/88/92/42/567889242.db2.gz KLXGZVSEQXBWII-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 ZINC000036620499 567889313 /nfs/dbraw/zinc/88/93/13/567889313.db2.gz RGDXRLWXEYBBDE-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 ZINC000036620500 567889381 /nfs/dbraw/zinc/88/93/81/567889381.db2.gz RGDXRLWXEYBBDE-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000036620615 172641762 /nfs/dbraw/zinc/64/17/62/172641762.db2.gz SMNBIUKCQGXFLY-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000036620616 567889257 /nfs/dbraw/zinc/88/92/57/567889257.db2.gz SMNBIUKCQGXFLY-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000036620749 570360736 /nfs/dbraw/zinc/36/07/36/570360736.db2.gz BCXRVYCWQWITDX-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000036620750 570360562 /nfs/dbraw/zinc/36/05/62/570360562.db2.gz BCXRVYCWQWITDX-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000036620755 567889413 /nfs/dbraw/zinc/88/94/13/567889413.db2.gz LJXJXXFBPRVYOG-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000036620756 172641840 /nfs/dbraw/zinc/64/18/40/172641840.db2.gz LJXJXXFBPRVYOG-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 ZINC000036620842 567889429 /nfs/dbraw/zinc/88/94/29/567889429.db2.gz ZFPPAMSJDQUNHA-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 ZINC000036620843 567889420 /nfs/dbraw/zinc/88/94/20/567889420.db2.gz ZFPPAMSJDQUNHA-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000036620920 567889422 /nfs/dbraw/zinc/88/94/22/567889422.db2.gz YQELGOXZQIRWHM-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000036620921 567889249 /nfs/dbraw/zinc/88/92/49/567889249.db2.gz YQELGOXZQIRWHM-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036620933 567889488 /nfs/dbraw/zinc/88/94/88/567889488.db2.gz LPPOBMCUQXPHFN-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620934 567889367 /nfs/dbraw/zinc/88/93/67/567889367.db2.gz LPPOBMCUQXPHFN-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1C ZINC000036621075 567889416 /nfs/dbraw/zinc/88/94/16/567889416.db2.gz IOCVNBCFMGZCCL-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000036621076 172642611 /nfs/dbraw/zinc/64/26/11/172642611.db2.gz IOCVNBCFMGZCCL-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C)c1 ZINC000036621126 567889392 /nfs/dbraw/zinc/88/93/92/567889392.db2.gz JLKWWJMWBZHJDE-SFHVURJKSA-N 0 0 294.398 4.672 50 0 CJAARN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C)c1 ZINC000036621127 567889250 /nfs/dbraw/zinc/88/92/50/567889250.db2.gz JLKWWJMWBZHJDE-GOSISDBHSA-N 0 0 294.398 4.672 50 0 CJAARN S=c1nc[nH]c2scc(-c3ccccc3Cl)c21 ZINC000036646072 172644861 /nfs/dbraw/zinc/64/48/61/172644861.db2.gz OFJPVZNQLNOSSD-UHFFFAOYSA-N 0 0 278.789 4.674 50 0 CJAARN Clc1ccccc1-c1csc2ncnc(Cl)c12 ZINC000036646088 567889655 /nfs/dbraw/zinc/88/96/55/567889655.db2.gz VDGVCJCXDIKLPW-UHFFFAOYSA-N 0 0 281.167 4.665 50 0 CJAARN Fc1ccc(COc2cccc3c2cc[nH]c3=S)cc1 ZINC000036657717 172644889 /nfs/dbraw/zinc/64/48/89/172644889.db2.gz SYGZZRPLIXPTIY-UHFFFAOYSA-N 0 0 285.343 4.615 50 0 CJAARN Fc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000036719652 567889684 /nfs/dbraw/zinc/88/96/84/567889684.db2.gz ABMYZUITTGXOIL-UHFFFAOYSA-N 0 0 271.118 4.712 50 0 CJAARN Fc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000036719653 567889910 /nfs/dbraw/zinc/88/99/10/567889910.db2.gz ZZLHNPSGIGFJLR-UHFFFAOYSA-N 0 0 271.118 4.712 50 0 CJAARN CCOc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000036719676 567889880 /nfs/dbraw/zinc/88/98/80/567889880.db2.gz OHRCLYDEWOMVNI-UHFFFAOYSA-N 0 0 296.288 4.683 50 0 CJAARN CC(C)=CC(=O)Nc1ccccc1SC1CCCC1 ZINC000036763764 567006345 /nfs/dbraw/zinc/00/63/45/567006345.db2.gz POLBGYVBGVWOET-UHFFFAOYSA-N 0 0 275.417 4.626 50 0 CJAARN O=Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 ZINC000036814440 567889771 /nfs/dbraw/zinc/88/97/71/567889771.db2.gz AYUDUXSMMBFRCO-UHFFFAOYSA-N 0 0 267.111 4.598 50 0 CJAARN COc1cccc(N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 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174190763 /nfs/dbraw/zinc/19/07/63/174190763.db2.gz BUNFCRICAYYMPE-UHFFFAOYSA-N 0 0 296.414 4.782 50 0 CJAARN CC(C)c1ccccc1NC(=O)NC1CCC(C)CC1 ZINC000040097319 174190720 /nfs/dbraw/zinc/19/07/20/174190720.db2.gz ONGCTGHRJRXOAQ-UHFFFAOYSA-N 0 0 274.408 4.510 50 0 CJAARN CC(C)c1ccccc1NC(=O)N(C)C1CCCCC1 ZINC000040097336 174190533 /nfs/dbraw/zinc/19/05/33/174190533.db2.gz WZUSLFKZNVIMAW-UHFFFAOYSA-N 0 0 274.408 4.606 50 0 CJAARN CC[C@@H]1CCCCN1C(=O)Nc1ccccc1C(C)C ZINC000040097338 174190474 /nfs/dbraw/zinc/19/04/74/174190474.db2.gz ZAGTUQKDGICCRE-CQSZACIVSA-N 0 0 274.408 4.606 50 0 CJAARN CC[C@H]1CCCCN1C(=O)Nc1ccccc1C(C)C ZINC000040097340 174190600 /nfs/dbraw/zinc/19/06/00/174190600.db2.gz ZAGTUQKDGICCRE-AWEZNQCLSA-N 0 0 274.408 4.606 50 0 CJAARN Cc1cccc(C(C)C)c1NC(=O)NC1CCCCCC1 ZINC000040098089 174190553 /nfs/dbraw/zinc/19/05/53/174190553.db2.gz NYJCHFZPQAYTGQ-UHFFFAOYSA-N 0 0 288.435 4.963 50 0 CJAARN Cc1cccc(C(C)C)c1NC(=O)N(C)C1CCCCC1 ZINC000040098097 174190760 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/nfs/dbraw/zinc/26/34/46/174263446.db2.gz RIYABMKGORLKGD-UHFFFAOYSA-N 0 0 254.373 4.974 50 0 CJAARN CC(C)(C)OC(=O)n1ccc2cc(Cl)c(Cl)cc21 ZINC000040448703 174265571 /nfs/dbraw/zinc/26/55/71/174265571.db2.gz AHHMXWQXWDGZRX-UHFFFAOYSA-N 0 0 286.158 4.731 50 0 CJAARN Clc1nc2sc(-c3ccccc3)cc2c(Cl)n1 ZINC000040450099 174265707 /nfs/dbraw/zinc/26/57/07/174265707.db2.gz RPPLNSDHURESPN-UHFFFAOYSA-N 0 0 281.167 4.665 50 0 CJAARN S=c1ccc(-c2ccc(C3CCCCC3)cc2)n[nH]1 ZINC000040478855 174283326 /nfs/dbraw/zinc/28/33/26/174283326.db2.gz TWCOYFUVPWWUAY-UHFFFAOYSA-N 0 0 270.401 4.854 50 0 CJAARN Cc1cccc(Oc2nc3ccccc3nc2Cl)c1C ZINC000040478909 174283184 /nfs/dbraw/zinc/28/31/84/174283184.db2.gz FSTTWERSPFRGBI-UHFFFAOYSA-N 0 0 284.746 4.692 50 0 CJAARN Fc1cccc(Sc2nc3ccccc3nc2Cl)c1 ZINC000040478915 174283298 /nfs/dbraw/zinc/28/32/98/174283298.db2.gz GVXVVMUCNDQLQC-UHFFFAOYSA-N 0 0 290.750 4.574 50 0 CJAARN CCc1ccc(Oc2nc3ccccc3nc2Cl)cc1 ZINC000040478918 174283423 /nfs/dbraw/zinc/28/34/23/174283423.db2.gz 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4.510 50 0 CJAARN Clc1ccc(Nc2nccc(-c3ccccc3)n2)cc1 ZINC000040856619 567890763 /nfs/dbraw/zinc/89/07/63/567890763.db2.gz IGRVZTGEKVVKAP-UHFFFAOYSA-N 0 0 281.746 4.541 50 0 CJAARN CC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C ZINC000040993813 567890963 /nfs/dbraw/zinc/89/09/63/567890963.db2.gz IXZLWVUMYZEJQU-UHFFFAOYSA-N 0 0 286.183 4.628 50 0 CJAARN CC(=O)c1sc(-c2cccc(Cl)c2Cl)nc1C ZINC000040993822 567890985 /nfs/dbraw/zinc/89/09/85/567890985.db2.gz UEBVTUFIYKTKFU-UHFFFAOYSA-N 0 0 286.183 4.628 50 0 CJAARN Cc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000041006163 567890978 /nfs/dbraw/zinc/89/09/78/567890978.db2.gz ZTBKQDNPQXVOQT-UHFFFAOYSA-N 0 0 277.154 4.845 50 0 CJAARN COc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000041055041 567955660 /nfs/dbraw/zinc/95/56/60/567955660.db2.gz SCEGMVZBALJQBV-UHFFFAOYSA-N 0 0 284.746 4.640 50 0 CJAARN Fc1ccc(Nc2ccnc3cc(Cl)ccc32)c(F)c1 ZINC000041055068 567955694 /nfs/dbraw/zinc/95/56/94/567955694.db2.gz QMCYWDHBVHPPJK-UHFFFAOYSA-N 0 0 290.700 4.910 50 0 CJAARN 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CC[C@@H](C)c1ccccc1NC(=O)c1ccnc(Cl)c1 ZINC000041636135 570259813 /nfs/dbraw/zinc/25/98/13/570259813.db2.gz FZSDWNVOZVYBIK-LLVKDONJSA-N 0 0 288.778 4.501 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)c1ccnc(Cl)c1 ZINC000041636137 570259856 /nfs/dbraw/zinc/25/98/56/570259856.db2.gz FZSDWNVOZVYBIK-NSHDSACASA-N 0 0 288.778 4.501 50 0 CJAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161956 567205654 /nfs/dbraw/zinc/20/56/54/567205654.db2.gz UAEIZWLLFNTWHF-QWRGUYRKSA-N 0 0 298.213 4.527 50 0 CJAARN C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161958 174644931 /nfs/dbraw/zinc/64/49/31/174644931.db2.gz UAEIZWLLFNTWHF-MNOVXSKESA-N 0 0 298.213 4.527 50 0 CJAARN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161960 567205059 /nfs/dbraw/zinc/20/50/59/567205059.db2.gz UAEIZWLLFNTWHF-WDEREUQCSA-N 0 0 298.213 4.527 50 0 CJAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)c(Cl)c1 ZINC000042161962 567205673 /nfs/dbraw/zinc/20/56/73/567205673.db2.gz UAEIZWLLFNTWHF-GHMZBOCLSA-N 0 0 298.213 4.527 50 0 CJAARN CN(c1ncc(C(F)(F)F)cc1Cl)C1CCCCC1 ZINC000042783536 567892120 /nfs/dbraw/zinc/89/21/20/567892120.db2.gz DDXSYVMHOVVFHJ-UHFFFAOYSA-N 0 0 292.732 4.523 50 0 CJAARN CC[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000042783537 567891854 /nfs/dbraw/zinc/89/18/54/567891854.db2.gz OXZMEEDJAFVTIF-SNVBAGLBSA-N 0 0 292.732 4.523 50 0 CJAARN CC[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000042783538 567891869 /nfs/dbraw/zinc/89/18/69/567891869.db2.gz OXZMEEDJAFVTIF-JTQLQIEISA-N 0 0 292.732 4.523 50 0 CJAARN Cc1ccccc1Nc1ncc(C(F)(F)F)cc1Cl ZINC000042784016 174879328 /nfs/dbraw/zinc/87/93/28/174879328.db2.gz VHYKZSDJDSFLIX-UHFFFAOYSA-N 0 0 286.684 4.806 50 0 CJAARN Cc1cccc(Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000042784022 567892077 /nfs/dbraw/zinc/89/20/77/567892077.db2.gz JQLKMRJBKDVQMK-UHFFFAOYSA-N 0 0 286.684 4.806 50 0 CJAARN Cc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000042784028 567892146 /nfs/dbraw/zinc/89/21/46/567892146.db2.gz VVWRIUITQXKKLJ-UHFFFAOYSA-N 0 0 286.684 4.806 50 0 CJAARN Fc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000042784048 567892022 /nfs/dbraw/zinc/89/20/22/567892022.db2.gz MMKKAQKSFFEKJQ-UHFFFAOYSA-N 0 0 290.647 4.637 50 0 CJAARN Cc1cc(C)c(NC(=O)N[C@H](C)c2ccccc2C)c(C)c1 ZINC000043150699 567877409 /nfs/dbraw/zinc/87/74/09/567877409.db2.gz ZFVLYGRJVYDJCM-MRXNPFEDSA-N 0 0 296.414 4.803 50 0 CJAARN Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccccc2C)c(C)c1 ZINC000043150700 174981173 /nfs/dbraw/zinc/98/11/73/174981173.db2.gz ZFVLYGRJVYDJCM-INIZCTEOSA-N 0 0 296.414 4.803 50 0 CJAARN CCc1cccc(C)c1NC(=O)N(C)C1CCC(C)CC1 ZINC000043156104 174981958 /nfs/dbraw/zinc/98/19/58/174981958.db2.gz UUZODQVUFVJNCS-UHFFFAOYSA-N 0 0 288.435 4.600 50 0 CJAARN CCc1cccc(C)c1NC(=O)N(C)CC1CCCCC1 ZINC000043156335 567877357 /nfs/dbraw/zinc/87/73/57/567877357.db2.gz PRTDWEDSYXGOBM-UHFFFAOYSA-N 0 0 288.435 4.601 50 0 CJAARN CC(=O)c1ccc(NC2CCCCCCC2)cc1C ZINC000043190959 566917629 /nfs/dbraw/zinc/91/76/29/566917629.db2.gz LZCAPEIPMISOCR-UHFFFAOYSA-N 0 0 259.393 4.722 50 0 CJAARN 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0 276.738 4.603 50 0 CJAARN Cc1ccc(CCC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000043212065 567892433 /nfs/dbraw/zinc/89/24/33/567892433.db2.gz SPMXAVGZNGSIIW-UHFFFAOYSA-N 0 0 276.738 4.603 50 0 CJAARN Cc1ccc(CCC(=O)c2ccc(Cl)cc2F)cc1 ZINC000043212066 174984036 /nfs/dbraw/zinc/98/40/36/174984036.db2.gz PLTWUQBGRVJXDR-UHFFFAOYSA-N 0 0 276.738 4.603 50 0 CJAARN CSc1ccccc1CCC(=O)c1ccccc1C ZINC000043212130 174984275 /nfs/dbraw/zinc/98/42/75/174984275.db2.gz HGHDTKYBSZXDIO-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN CSc1ccccc1CCC(=O)c1cccc(C)c1 ZINC000043212133 567892228 /nfs/dbraw/zinc/89/22/28/567892228.db2.gz CGWHVQVPKIKXGP-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN CSc1ccccc1CCC(=O)c1ccc(C)cc1 ZINC000043212135 567892334 /nfs/dbraw/zinc/89/23/34/567892334.db2.gz YXOMDCFHLWKLQK-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN Cc1ccsc1CNC(=O)Nc1ccccc1C(C)C ZINC000043229997 567881156 /nfs/dbraw/zinc/88/11/56/567881156.db2.gz AAVACBXXLFVZRA-UHFFFAOYSA-N 0 0 288.416 4.502 50 0 CJAARN CC(C)c1ccccc1NC(=O)N(C)C1CCC(C)CC1 ZINC000043230353 567881223 /nfs/dbraw/zinc/88/12/23/567881223.db2.gz YZNIOPFWFRKMIM-UHFFFAOYSA-N 0 0 288.435 4.852 50 0 CJAARN CC(C)c1ccccc1NC(=O)N(C)CC1CCCCC1 ZINC000043230751 567881272 /nfs/dbraw/zinc/88/12/72/567881272.db2.gz NOIOPUSRPPBQED-UHFFFAOYSA-N 0 0 288.435 4.854 50 0 CJAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(C)C)o1 ZINC000043231164 567881283 /nfs/dbraw/zinc/88/12/83/567881283.db2.gz ORAFSHQFSRWUCK-CYBMUJFWSA-N 0 0 286.375 4.594 50 0 CJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2C(C)C)o1 ZINC000043231166 567881147 /nfs/dbraw/zinc/88/11/47/567881147.db2.gz ORAFSHQFSRWUCK-ZDUSSCGKSA-N 0 0 286.375 4.594 50 0 CJAARN Cc1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1 ZINC000043258002 567045156 /nfs/dbraw/zinc/04/51/56/567045156.db2.gz JPVAJADRNAWTGH-UHFFFAOYSA-N 0 0 258.324 4.692 50 0 CJAARN Cc1cccc(C(C)C)c1NC(=O)N(CC(C)C)C1CC1 ZINC000043281542 174996850 /nfs/dbraw/zinc/99/68/50/174996850.db2.gz JCFHMLLWQWYUCF-UHFFFAOYSA-N 0 0 288.435 4.771 50 0 CJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)c1ccccc1 ZINC000043762749 566916711 /nfs/dbraw/zinc/91/67/11/566916711.db2.gz HZQGVIGDGRFMNJ-XYVMCAHJSA-N 0 0 288.431 4.794 50 0 CJAARN CCO/C=C/C[C@]1(C)CC[C@@H](C(C)C)[C@@]12COC(C)(C)O2 ZINC000043762869 566917771 /nfs/dbraw/zinc/91/77/71/566917771.db2.gz VZLBZWCZYYBTDK-IBMQMENBSA-N 0 0 296.451 4.521 50 0 CJAARN CCO/C=C/C[C@]1(C)CC[C@@H](C(C)C)[C@]12COC(C)(C)O2 ZINC000043762870 566916858 /nfs/dbraw/zinc/91/68/58/566916858.db2.gz VZLBZWCZYYBTDK-GZNHNWKNSA-N 0 0 296.451 4.521 50 0 CJAARN c1ccc2c(c1)N[C@]1(CC[C@@H]3CCCC[C@@H]3C1)S2 ZINC000043827806 175115188 /nfs/dbraw/zinc/11/51/88/175115188.db2.gz PPOXRMLBHCJICS-WOSRLPQWSA-N 0 0 259.418 4.891 50 0 CJAARN c1ccc2c(c1)N[C@@]1(CC[C@@H]3CCCC[C@@H]3C1)S2 ZINC000043827809 175114932 /nfs/dbraw/zinc/11/49/32/175114932.db2.gz PPOXRMLBHCJICS-ZENOOKHLSA-N 0 0 259.418 4.891 50 0 CJAARN c1ccc2c(c1)N[C@]1(CC[C@H]3CCCC[C@@H]3C1)S2 ZINC000043827812 175114948 /nfs/dbraw/zinc/11/49/48/175114948.db2.gz PPOXRMLBHCJICS-XJKCOSOUSA-N 0 0 259.418 4.891 50 0 CJAARN c1ccc2c(c1)N[C@@]1(CC[C@H]3CCCC[C@@H]3C1)S2 ZINC000043827815 175115055 /nfs/dbraw/zinc/11/50/55/175115055.db2.gz PPOXRMLBHCJICS-IOASZLSFSA-N 0 0 259.418 4.891 50 0 CJAARN CC(C)(C)Sc1cc(CO)cc(SC(C)(C)C)c1 ZINC000044069134 175140587 /nfs/dbraw/zinc/14/05/87/175140587.db2.gz CCDSSDOUYHQUMI-UHFFFAOYSA-N 0 0 284.490 4.960 50 0 CJAARN Cc1sc(-c2ccccc2)c(C)c1Br ZINC000044069226 175140634 /nfs/dbraw/zinc/14/06/34/175140634.db2.gz VJMJMLJTIYJVQY-UHFFFAOYSA-N 0 0 267.191 4.794 50 0 CJAARN CCOP(=O)(Cc1ccc(C(C)C)cc1)OCC ZINC000044069293 175140612 /nfs/dbraw/zinc/14/06/12/175140612.db2.gz IQDLJDZVTOWKTB-UHFFFAOYSA-N 0 0 270.309 4.576 50 0 CJAARN CCSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000044085296 175141128 /nfs/dbraw/zinc/14/11/28/175141128.db2.gz AXRLAYIJJHDXRQ-UHFFFAOYSA-N 0 0 280.396 4.651 50 0 CJAARN CSc1ncc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000044085306 175141212 /nfs/dbraw/zinc/14/12/12/175141212.db2.gz QNFABBBNKAYIOG-UHFFFAOYSA-N 0 0 280.396 4.570 50 0 CJAARN CCSc1ncc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000044085308 175141078 /nfs/dbraw/zinc/14/10/78/175141078.db2.gz RNBBQXVEQKGKPU-UHFFFAOYSA-N 0 0 294.423 4.960 50 0 CJAARN CC(C)Sc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000044085390 175141172 /nfs/dbraw/zinc/14/11/72/175141172.db2.gz YPDVOATUHBCLQQ-UHFFFAOYSA-N 0 0 298.411 4.692 50 0 CJAARN CSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000044085480 175141287 /nfs/dbraw/zinc/14/12/87/175141287.db2.gz DVNGAJFDWSUJJO-UHFFFAOYSA-N 0 0 280.396 4.570 50 0 CJAARN CCSc1ncc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000044085482 175141108 /nfs/dbraw/zinc/14/11/08/175141108.db2.gz VPMVCGCDISCMQL-UHFFFAOYSA-N 0 0 294.423 4.960 50 0 CJAARN CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000044085490 175141017 /nfs/dbraw/zinc/14/10/17/175141017.db2.gz DAIGFNFCJJKOQN-UHFFFAOYSA-N 0 0 294.423 4.878 50 0 CJAARN CCSc1ncc(-c2ccccc2)n1-c1ccccc1C ZINC000044086662 175140965 /nfs/dbraw/zinc/14/09/65/175140965.db2.gz WBKJBPJVOULZSX-UHFFFAOYSA-N 0 0 294.423 4.960 50 0 CJAARN CSc1ncc(-c2ccc(C)cc2)n1-c1ccccc1C ZINC000044086762 175141122 /nfs/dbraw/zinc/14/11/22/175141122.db2.gz ALRQQFRVAISRLT-UHFFFAOYSA-N 0 0 294.423 4.878 50 0 CJAARN CCSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000044086937 175140986 /nfs/dbraw/zinc/14/09/86/175140986.db2.gz WWCQNVKMTSLZEU-UHFFFAOYSA-N 0 0 298.386 4.790 50 0 CJAARN CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(F)cc1 ZINC000044087053 175140975 /nfs/dbraw/zinc/14/09/75/175140975.db2.gz QXSFGWRGPDTEKI-UHFFFAOYSA-N 0 0 298.386 4.709 50 0 CJAARN FC(F)(F)c1ccccc1-c1cc(Cl)nc(C2CC2)n1 ZINC000044119543 175142328 /nfs/dbraw/zinc/14/23/28/175142328.db2.gz XOZJYUKFNRCJFA-UHFFFAOYSA-N 0 0 298.695 4.693 50 0 CJAARN Cc1cc(C)c(C)c(Oc2ccc(N)cc2Cl)c1C ZINC000044123004 175143396 /nfs/dbraw/zinc/14/33/96/175143396.db2.gz LQMPRDDQOICBGS-UHFFFAOYSA-N 0 0 275.779 4.948 50 0 CJAARN Clc1cc(Br)ccc1OCc1ccccc1 ZINC000044583857 175210748 /nfs/dbraw/zinc/21/07/48/175210748.db2.gz RUVDUIQMBVBZFS-UHFFFAOYSA-N 0 0 297.579 4.682 50 0 in-vitro CJAARN Cc1ccc(-c2nc(-c3ccccc3)cs2)cc1 ZINC000044676022 175227156 /nfs/dbraw/zinc/22/71/56/175227156.db2.gz HJOFTDPFWFTGNO-UHFFFAOYSA-N 0 0 251.354 4.786 50 0 CJAARN Brc1ccc2ccc(-c3ccccc3)nc2c1 ZINC000044699838 175235590 /nfs/dbraw/zinc/23/55/90/175235590.db2.gz QRUXWUPPMOLJKM-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN CC(=O)CCCCCCCCCCCC[C@H](C)O ZINC000044713485 175235716 /nfs/dbraw/zinc/23/57/16/175235716.db2.gz LSGDAFCKEDGDSA-HNNXBMFYSA-N 0 0 256.430 4.637 50 0 CJAARN CC(=O)CCCCCCCCCCCC[C@@H](C)O ZINC000044713486 175235945 /nfs/dbraw/zinc/23/59/45/175235945.db2.gz LSGDAFCKEDGDSA-OAHLLOKOSA-N 0 0 256.430 4.637 50 0 CJAARN O=C(Nc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000044844682 175264206 /nfs/dbraw/zinc/26/42/06/175264206.db2.gz OIARVKLKGJNSJJ-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN CCc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000044844731 175264264 /nfs/dbraw/zinc/26/42/64/175264264.db2.gz GCLOISZBAYNGBV-UHFFFAOYSA-N 0 0 268.360 4.510 50 0 CJAARN CCc1ccc(NC(=O)Nc2c(C)cccc2C)cc1 ZINC000044844761 175264133 /nfs/dbraw/zinc/26/41/33/175264133.db2.gz JRQSJRCRBUJWTN-UHFFFAOYSA-N 0 0 268.360 4.510 50 0 CJAARN CCc1ccc(NC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000044844842 175264156 /nfs/dbraw/zinc/26/41/56/175264156.db2.gz SSDPATIWAMJBBN-UHFFFAOYSA-N 0 0 292.741 4.686 50 0 CJAARN CCc1ccc(NC(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000044844914 567946070 /nfs/dbraw/zinc/94/60/70/567946070.db2.gz VHXBWCKATLLECS-UHFFFAOYSA-N 0 0 288.778 4.855 50 0 CJAARN CCc1ccccc1NC(=O)Nc1ccccc1Cl ZINC000044844927 175264202 /nfs/dbraw/zinc/26/42/02/175264202.db2.gz LEVLFGYJZNZDJT-UHFFFAOYSA-N 0 0 274.751 4.546 50 0 CJAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1F ZINC000044844996 567946023 /nfs/dbraw/zinc/94/60/23/567946023.db2.gz MJVMYCJJPFRESS-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1C ZINC000044845006 567946037 /nfs/dbraw/zinc/94/60/37/567946037.db2.gz QMEQKHJZPWSZIN-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1Cl ZINC000044845021 567946022 /nfs/dbraw/zinc/94/60/22/567946022.db2.gz FGXTVUADNJBTRS-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN O=C(Nc1cccc(Cl)c1)Nc1cc(F)ccc1Cl ZINC000044845026 567946164 /nfs/dbraw/zinc/94/61/64/567946164.db2.gz GBCJLBXYRAMWMT-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1F ZINC000044845031 567946054 /nfs/dbraw/zinc/94/60/54/567946054.db2.gz RZHOPXDRGZZZFI-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1F ZINC000044845036 567946137 /nfs/dbraw/zinc/94/61/37/567946137.db2.gz ZXDBXDGWPLTWOA-UHFFFAOYSA-N 0 0 299.132 4.777 50 0 CJAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(Cl)c1 ZINC000044845056 175264823 /nfs/dbraw/zinc/26/48/23/175264823.db2.gz VCQTYDJOZMOMPO-UHFFFAOYSA-N 0 0 295.169 4.946 50 0 CJAARN Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000044845066 567946155 /nfs/dbraw/zinc/94/61/55/567946155.db2.gz SXMKVKNJTDATQG-UHFFFAOYSA-N 0 0 295.169 4.946 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000044845081 570329576 /nfs/dbraw/zinc/32/95/76/570329576.db2.gz RMWMQKVAFQBHOS-UHFFFAOYSA-N 0 0 288.778 4.909 50 0 CJAARN Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1Cl ZINC000044845151 567945983 /nfs/dbraw/zinc/94/59/83/567945983.db2.gz AFKHHOHJHOBXAH-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)c(F)c1 ZINC000044845200 567946057 /nfs/dbraw/zinc/94/60/57/567946057.db2.gz SKCCZCWFNUAQJG-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F ZINC000044845205 567946035 /nfs/dbraw/zinc/94/60/35/567946035.db2.gz IYEJIKJXUMXVAW-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1ccc(NC(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000044845210 567946055 /nfs/dbraw/zinc/94/60/55/567946055.db2.gz IKKOCGNGRBJRPZ-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(F)c(C)c2)cc1Cl ZINC000044845219 567946045 /nfs/dbraw/zinc/94/60/45/567946045.db2.gz GEJKWKXUJMYIHH-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1ccc(F)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000044845244 567946027 /nfs/dbraw/zinc/94/60/27/567946027.db2.gz GZXFWXBWJDZTEP-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1ccc(NC(=O)Nc2cccc(F)c2C)cc1Cl ZINC000044845264 567946099 /nfs/dbraw/zinc/94/60/99/567946099.db2.gz SRBMATQBWCXILT-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN Cc1cc(-c2csc(NCc3ccccc3)n2)ccc1F ZINC000044928830 175278623 /nfs/dbraw/zinc/27/86/23/175278623.db2.gz KZDHKFQGJPCUBF-UHFFFAOYSA-N 0 0 298.386 4.870 50 0 CJAARN Cc1ccc2c(n1)CC2=C(c1ccccc1)c1ccccc1 ZINC000045027746 175293296 /nfs/dbraw/zinc/29/32/96/175293296.db2.gz WXYCKMCSESURBD-UHFFFAOYSA-N 0 0 283.374 4.905 50 0 CJAARN Nc1ccc2ccccc2c1-c1nccc2ccccc21 ZINC000045028200 175293393 /nfs/dbraw/zinc/29/33/93/175293393.db2.gz OYLNFFGFQUEPML-UHFFFAOYSA-N 0 0 270.335 4.637 50 0 CJAARN CCCCCCc1ccc(C(=O)c2cccc(C)n2)cc1 ZINC000045028494 175293471 /nfs/dbraw/zinc/29/34/71/175293471.db2.gz NDINENVRFKBFGQ-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2cccc(C)n2)cc1 ZINC000045028499 175293259 /nfs/dbraw/zinc/29/32/59/175293259.db2.gz WSGWESQWGIELBM-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCCc1ccc(C(=O)c2ccc(C)cn2)cc1 ZINC000045028558 175293735 /nfs/dbraw/zinc/29/37/35/175293735.db2.gz SSCZBASDSLDJRP-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2ccc(C)cn2)cc1 ZINC000045028563 175293790 /nfs/dbraw/zinc/29/37/90/175293790.db2.gz YBOUIKURZCIEBK-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCCc1ccc(C(=O)c2cc(C)ccn2)cc1 ZINC000045028621 175293825 /nfs/dbraw/zinc/29/38/25/175293825.db2.gz SNCKUHYLEGVRNI-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2cc(C)ccn2)cc1 ZINC000045028626 175293829 /nfs/dbraw/zinc/29/38/29/175293829.db2.gz YIKGXCVQYFCZNO-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCCc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028682 175293665 /nfs/dbraw/zinc/29/36/65/175293665.db2.gz CLSFYGGTCDBCEJ-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028687 175293678 /nfs/dbraw/zinc/29/36/78/175293678.db2.gz DUMQJDZHXITPLT-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CC(C)c1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000045028896 326940061 /nfs/dbraw/zinc/94/00/61/326940061.db2.gz DTZDZGZGWZUDLT-UHFFFAOYSA-N 0 0 275.351 4.589 50 0 CJAARN CC(C)(C)c1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000045028898 326940131 /nfs/dbraw/zinc/94/01/31/326940131.db2.gz QQZSXHCMHDRARH-UHFFFAOYSA-N 0 0 289.378 4.763 50 0 CJAARN CCCCc1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000045028901 326940181 /nfs/dbraw/zinc/94/01/81/326940181.db2.gz DZCOUWJTZGSCPV-UHFFFAOYSA-N 0 0 289.378 4.808 50 0 CJAARN CCCCCCc1ccc(C(=O)c2cnccc2C)cc1 ZINC000045029018 175293856 /nfs/dbraw/zinc/29/38/56/175293856.db2.gz LRDGLRVZLJJHJG-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2cnccc2C)cc1 ZINC000045029023 570236098 /nfs/dbraw/zinc/23/60/98/570236098.db2.gz RRESOPFBRLCHDY-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCCc1ccc(C(=O)c2ccc(C)nc2)cc1 ZINC000045029085 570236121 /nfs/dbraw/zinc/23/61/21/570236121.db2.gz YVKGPRMYWYDGBR-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2ccc(C)nc2)cc1 ZINC000045029090 570236065 /nfs/dbraw/zinc/23/60/65/570236065.db2.gz KEDGOQFASCMYDW-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCCc1ccc(C(=O)c2ccnc(C)c2)cc1 ZINC000045038551 520137021 /nfs/dbraw/zinc/13/70/21/520137021.db2.gz OPOAEQBMUDEAQE-UHFFFAOYSA-N 0 0 281.399 4.744 50 0 CJAARN CCCCCCOc1ccc(C(=O)c2ccnc(C)c2)cc1 ZINC000045038571 570236109 /nfs/dbraw/zinc/23/61/09/570236109.db2.gz CJFYRWRPYOGIBC-UHFFFAOYSA-N 0 0 297.398 4.580 50 0 CJAARN CCCCCc1ccc(C(=O)c2ccc(Cl)nc2)cc1 ZINC000045038785 175294702 /nfs/dbraw/zinc/29/47/02/175294702.db2.gz YDZVXPRYSWXOEE-UHFFFAOYSA-N 0 0 287.790 4.699 50 0 CJAARN CC(C)(C)c1cc(C(=O)C2CC2)cc(C(C)(C)C)c1O ZINC000045067747 175300074 /nfs/dbraw/zinc/30/00/74/175300074.db2.gz OWCRIRPVXQAKRY-UHFFFAOYSA-N 0 0 274.404 4.580 50 0 CJAARN CN1c2ccccc2-c2ccccc2-c2ccccc2C1=O ZINC000045069770 175300766 /nfs/dbraw/zinc/30/07/66/175300766.db2.gz DZGZWHHULNXMGD-UHFFFAOYSA-N 0 0 285.346 4.611 50 0 CJAARN O=C1Nc2ccccc2-c2ccccc2-c2ccccc21 ZINC000045069786 175300647 /nfs/dbraw/zinc/30/06/47/175300647.db2.gz CBORANFLSIVUGA-UHFFFAOYSA-N 0 0 271.319 4.586 50 0 CJAARN O=C(Nc1ccccc1)OCC1=CCCCCCC1 ZINC000045070363 175301101 /nfs/dbraw/zinc/30/11/01/175301101.db2.gz FCBINYUEGPWELT-UHFFFAOYSA-N 0 0 259.349 4.516 50 0 CJAARN CC1(O)C[C@]23CC(=O)C[C@]2(C1)CCCCCCCCCC3 ZINC000045071310 175301492 /nfs/dbraw/zinc/30/14/92/175301492.db2.gz LTHSNHCVEITGPQ-OALUTQOASA-N 0 0 292.463 4.782 50 0 CJAARN CC1(O)C[C@@]23CC(=O)C[C@@]2(C1)CCCCCCCCCC3 ZINC000045071314 175301414 /nfs/dbraw/zinc/30/14/14/175301414.db2.gz LTHSNHCVEITGPQ-RTBURBONSA-N 0 0 292.463 4.782 50 0 CJAARN Cc1ccc([C@@H](C)CCCC2=CCC(=O)CC2)cc1 ZINC000045071651 328754615 /nfs/dbraw/zinc/75/46/15/328754615.db2.gz XLIQGOSWLRYSLD-HNNXBMFYSA-N 0 0 256.389 4.948 50 0 CJAARN Cc1ccc([C@H](C)CCC[C@H]2C=CC(=O)CC2)cc1 ZINC000045071653 328754616 /nfs/dbraw/zinc/75/46/16/328754616.db2.gz DOFWKGUTKZRWQI-CVEARBPZSA-N 0 0 256.389 4.804 50 0 CJAARN Cc1ccc([C@H](C)CCCC2=CCC(=O)CC2)cc1 ZINC000045071655 328754614 /nfs/dbraw/zinc/75/46/14/328754614.db2.gz XLIQGOSWLRYSLD-OAHLLOKOSA-N 0 0 256.389 4.948 50 0 CJAARN CCCCCC[C@](C)(Sc1ccccc1)C(=O)OC ZINC000045074608 566917815 /nfs/dbraw/zinc/91/78/15/566917815.db2.gz YWJXRWOXPNAUGV-INIZCTEOSA-N 0 0 280.433 4.681 50 0 CJAARN CCCCCC[C@@](C)(Sc1ccccc1)C(=O)OC ZINC000045074609 566917825 /nfs/dbraw/zinc/91/78/25/566917825.db2.gz YWJXRWOXPNAUGV-MRXNPFEDSA-N 0 0 280.433 4.681 50 0 CJAARN Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O ZINC000045254284 175336869 /nfs/dbraw/zinc/33/68/69/175336869.db2.gz ICDRVGLMFQWTDX-UHFFFAOYSA-N 0 0 282.364 4.802 50 0 in-vivo CJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1F ZINC000046018516 175389841 /nfs/dbraw/zinc/38/98/41/175389841.db2.gz QRVDCQMZJULHGE-QGZVFWFLSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1F ZINC000046018518 175389889 /nfs/dbraw/zinc/38/98/89/175389889.db2.gz QRVDCQMZJULHGE-KRWDZBQOSA-N 0 0 298.361 4.503 50 0 CJAARN Cc1ccc(C2(C(=O)Nc3ccccc3C)CCCC2)cc1 ZINC000046077372 175391081 /nfs/dbraw/zinc/39/10/81/175391081.db2.gz ZIEKJCPIAGZSQK-UHFFFAOYSA-N 0 0 293.410 4.754 50 0 CJAARN Cc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCCC2)cc1 ZINC000046077374 175391630 /nfs/dbraw/zinc/39/16/30/175391630.db2.gz RFBUTDMRMBSUTQ-UHFFFAOYSA-N 0 0 297.373 4.585 50 0 CJAARN Fc1ccccc1-c1ncc(C(F)(F)F)cc1Cl ZINC000047203922 566889235 /nfs/dbraw/zinc/88/92/35/566889235.db2.gz XSKLNXHHATVCSA-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000047203923 566890027 /nfs/dbraw/zinc/89/00/27/566890027.db2.gz TZCBFMCCILBABZ-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000047203924 175404891 /nfs/dbraw/zinc/40/48/91/175404891.db2.gz ZIPPHYAMVUDHRB-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccccc1-c1nc(C(F)(F)F)ccc1Cl ZINC000047203925 566889357 /nfs/dbraw/zinc/88/93/57/566889357.db2.gz RIDQDBPOAPUURV-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1cccc(-c2nc(C(F)(F)F)ccc2Cl)c1 ZINC000047203926 566888778 /nfs/dbraw/zinc/88/87/78/566888778.db2.gz QNHZDBGSGMKZDN-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccc(-c2nc(C(F)(F)F)ccc2Cl)cc1 ZINC000047203927 566889336 /nfs/dbraw/zinc/88/93/36/566889336.db2.gz KUKUCZPPMLNGKM-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccccc1-c1cc(C(F)(F)F)cnc1Cl ZINC000047203928 567882411 /nfs/dbraw/zinc/88/24/11/567882411.db2.gz UIELSJWENNPHSB-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1 ZINC000047203929 567882318 /nfs/dbraw/zinc/88/23/18/567882318.db2.gz JMCASTPMUZREDC-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccc(-c2cc(C(F)(F)F)cnc2Cl)cc1 ZINC000047203930 567882447 /nfs/dbraw/zinc/88/24/47/567882447.db2.gz AOMUTZDBLSGSDA-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccccc1-c1ccc(C(F)(F)F)nc1Cl ZINC000047203931 567861484 /nfs/dbraw/zinc/86/14/84/567861484.db2.gz DURIMKPCFZHCDE-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1cccc(-c2ccc(C(F)(F)F)nc2Cl)c1 ZINC000047203932 566889141 /nfs/dbraw/zinc/88/91/41/566889141.db2.gz GSLANNYOGPWASN-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN Fc1ccc(-c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC000047203933 566890323 /nfs/dbraw/zinc/89/03/23/566890323.db2.gz YHXXOEKKNGNPIT-UHFFFAOYSA-N 0 0 275.632 4.560 50 0 CJAARN C/C=C/c1ccc(Oc2nc3ccccc3o2)c(OC)c1 ZINC000048229704 175422038 /nfs/dbraw/zinc/42/20/38/175422038.db2.gz GAYNSUUYCNIOIK-ZZXKWVIFSA-N 0 0 281.311 4.662 50 0 CJAARN Clc1ccc(Oc2nc3ccccc3o2)c2ncccc12 ZINC000048230842 175421807 /nfs/dbraw/zinc/42/18/07/175421807.db2.gz DIPVCQHELMGXML-UHFFFAOYSA-N 0 0 296.713 4.822 50 0 CJAARN O=C(c1ccc2c(c1)CCCC2)N(C1CC1)C1CCCCC1 ZINC000048262708 570296487 /nfs/dbraw/zinc/29/64/87/570296487.db2.gz YEOLJGMBGJMKPQ-UHFFFAOYSA-N 0 0 297.442 4.503 50 0 CJAARN Clc1ccc(CN2CCC[C@@H]2c2ccsc2)s1 ZINC000048273313 570296958 /nfs/dbraw/zinc/29/69/58/570296958.db2.gz DDVXBUDZEAOLMQ-GFCCVEGCSA-N 0 0 283.849 4.800 50 0 CJAARN Clc1ccc(CN2CCC[C@H]2c2ccsc2)s1 ZINC000048273316 570296826 /nfs/dbraw/zinc/29/68/26/570296826.db2.gz DDVXBUDZEAOLMQ-LBPRGKRZSA-N 0 0 283.849 4.800 50 0 CJAARN Cc1ccccc1[C@@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000048278023 570296975 /nfs/dbraw/zinc/29/69/75/570296975.db2.gz CRQSNHDSINVPOD-INIZCTEOSA-N 0 0 298.430 4.618 50 0 CJAARN Cc1ccccc1[C@H]1CCCN1Cc1ncc(C(C)(C)C)o1 ZINC000048278026 570296882 /nfs/dbraw/zinc/29/68/82/570296882.db2.gz CRQSNHDSINVPOD-MRXNPFEDSA-N 0 0 298.430 4.618 50 0 CJAARN Cc1ccc(NC(=O)NC2(c3ccccc3)CCC2)c(C)c1 ZINC000048278173 567946406 /nfs/dbraw/zinc/94/64/06/567946406.db2.gz XOEXOSDAWGBLSP-UHFFFAOYSA-N 0 0 294.398 4.504 50 0 CJAARN Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000048301983 175425877 /nfs/dbraw/zinc/42/58/77/175425877.db2.gz UQIIIEPLHROAST-BBRMVZONSA-N 0 0 288.435 4.819 50 0 CJAARN Cc1cccc(C(C)C)c1NC(=O)NC1CCC(C)CC1 ZINC000048303553 567946343 /nfs/dbraw/zinc/94/63/43/567946343.db2.gz OUIMMRLFSSSBFD-UHFFFAOYSA-N 0 0 288.435 4.819 50 0 CJAARN CC(C)c1ccccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000048304261 175426250 /nfs/dbraw/zinc/42/62/50/175426250.db2.gz QBVDYNKTYHGPHW-KGLIPLIRSA-N 0 0 274.408 4.510 50 0 CJAARN CC(C)c1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000048304263 567946385 /nfs/dbraw/zinc/94/63/85/567946385.db2.gz QBVDYNKTYHGPHW-KBPBESRZSA-N 0 0 274.408 4.510 50 0 CJAARN CC(C)c1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000048304265 175426254 /nfs/dbraw/zinc/42/62/54/175426254.db2.gz QBVDYNKTYHGPHW-ZIAGYGMSSA-N 0 0 274.408 4.510 50 0 CJAARN CC(C)c1ccccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000048304267 567946324 /nfs/dbraw/zinc/94/63/24/567946324.db2.gz QBVDYNKTYHGPHW-UONOGXRCSA-N 0 0 274.408 4.510 50 0 CJAARN CCc1cccc(Nc2ncnc3cc(Cl)ccc32)c1 ZINC000048331888 570297411 /nfs/dbraw/zinc/29/74/11/570297411.db2.gz GFOCDLYNEHXBAM-UHFFFAOYSA-N 0 0 283.762 4.589 50 0 CJAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)C)cc2)o1 ZINC000048354355 567946461 /nfs/dbraw/zinc/94/64/61/567946461.db2.gz XMFSHETXYHUPOK-ZDUSSCGKSA-N 0 0 286.375 4.594 50 0 CJAARN CC(C)c1ccccc1NC(=O)C=C1CCCCC1 ZINC000048374193 570298110 /nfs/dbraw/zinc/29/81/10/570298110.db2.gz RNBGBKKEZSXSMJ-UHFFFAOYSA-N 0 0 257.377 4.639 50 0 CJAARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000048507248 567892880 /nfs/dbraw/zinc/89/28/80/567892880.db2.gz UICNPRGXEKDYOT-GFCCVEGCSA-N 0 0 288.778 4.531 50 0 CJAARN Cc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000048507251 567892754 /nfs/dbraw/zinc/89/27/54/567892754.db2.gz UICNPRGXEKDYOT-LBPRGKRZSA-N 0 0 288.778 4.531 50 0 CJAARN Cc1c(Cl)cccc1NC(=O)Nc1cc(F)ccc1F ZINC000048520906 175436494 /nfs/dbraw/zinc/43/64/94/175436494.db2.gz BDSIPOMJTOYROT-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN CCCOc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000048523216 567091525 /nfs/dbraw/zinc/09/15/25/567091525.db2.gz RSJLVDKGWKOYTF-UHFFFAOYSA-N 0 0 286.762 4.672 50 0 CJAARN c1ccc(-c2nc3cc4nc5ccccc5nc4cc3o2)cc1 ZINC000048524461 567091041 /nfs/dbraw/zinc/09/10/41/567091041.db2.gz CEQYKRCQNQBZGB-UHFFFAOYSA-N 0 0 297.317 4.591 50 0 CJAARN c1ccc2c(c1)OC1(CCCCC1)Oc1ccccc1-2 ZINC000048533478 567090490 /nfs/dbraw/zinc/09/04/90/567090490.db2.gz QTFWYHCSVMXOGV-UHFFFAOYSA-N 0 0 266.340 4.785 50 0 CJAARN C=COc1cc2c(c3ccccc13)-c1ccccc1C2=O ZINC000048533971 567090251 /nfs/dbraw/zinc/09/02/51/567090251.db2.gz LXZIVSZQFNAWGI-UHFFFAOYSA-N 0 0 272.303 4.574 50 0 CJAARN Cc1ccc(Cl)cc1Nc1nccc2ccccc21 ZINC000048545503 567090126 /nfs/dbraw/zinc/09/01/26/567090126.db2.gz NIGSBROHQJPDAG-UHFFFAOYSA-N 0 0 268.747 4.940 50 0 CJAARN Cc1ccc(Nc2nccc3ccccc32)cc1Cl ZINC000048545506 567090988 /nfs/dbraw/zinc/09/09/88/567090988.db2.gz VRURUPLRMQUFMY-UHFFFAOYSA-N 0 0 268.747 4.940 50 0 CJAARN Cc1cccc(Cl)c1Nc1nccc2ccccc21 ZINC000048545519 567090426 /nfs/dbraw/zinc/09/04/26/567090426.db2.gz SNKAXTXXKKWSOP-UHFFFAOYSA-N 0 0 268.747 4.940 50 0 CJAARN Cc1ccc(NC(=O)c2sccc2Cl)cc1Cl ZINC000048545584 567090171 /nfs/dbraw/zinc/09/01/71/567090171.db2.gz UGLBAJICHLVRIM-UHFFFAOYSA-N 0 0 286.183 4.616 50 0 CJAARN Cc1cccc(Cl)c1NC(=O)c1sccc1Cl ZINC000048545592 567091607 /nfs/dbraw/zinc/09/16/07/567091607.db2.gz UQSZIPOJUZOWKB-UHFFFAOYSA-N 0 0 286.183 4.616 50 0 CJAARN Cc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1 ZINC000048546088 567091672 /nfs/dbraw/zinc/09/16/72/567091672.db2.gz JHFNKSXCTPRCJB-UHFFFAOYSA-N 0 0 295.165 4.659 50 0 CJAARN Cc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000048546091 567090349 /nfs/dbraw/zinc/09/03/49/567090349.db2.gz XREWXJBIRGPZOP-UHFFFAOYSA-N 0 0 295.165 4.659 50 0 CJAARN COc1ccc(Cl)c2c1Nc1ccccc1S2 ZINC000048546935 567892728 /nfs/dbraw/zinc/89/27/28/567892728.db2.gz KDCXCRQWPQZQHR-UHFFFAOYSA-N 0 0 263.749 4.557 50 0 CJAARN COc1ccc(Nc2ncc(-c3ccccc3C)s2)cc1 ZINC000048554377 567090113 /nfs/dbraw/zinc/09/01/13/567090113.db2.gz YPJCMINXARVYDH-UHFFFAOYSA-N 0 0 296.395 4.871 50 0 CJAARN FC(F)(F)c1ccccc1CSc1nccn1C1CC1 ZINC000048643777 570299047 /nfs/dbraw/zinc/29/90/47/570299047.db2.gz XBMARAUONUAIBY-UHFFFAOYSA-N 0 0 298.333 4.529 50 0 CJAARN CCc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1 ZINC000049006105 175458348 /nfs/dbraw/zinc/45/83/48/175458348.db2.gz NZNOGJLJXPEYKR-UHFFFAOYSA-N 0 0 299.374 4.650 50 0 CJAARN Cc1ccc(C)c(-c2csc(Nc3ccc(F)cn3)n2)c1 ZINC000049006113 175458585 /nfs/dbraw/zinc/45/85/85/175458585.db2.gz PHCKXZDSRXGQLB-UHFFFAOYSA-N 0 0 299.374 4.705 50 0 CJAARN CC[C@H](NC(=O)NC1CCCCCCC1)c1cccs1 ZINC000049241550 570300353 /nfs/dbraw/zinc/30/03/53/570300353.db2.gz TXUPDTATYHBWCZ-AWEZNQCLSA-N 0 0 294.464 4.611 50 0 CJAARN CC[C@@H](NC(=O)NC1CCCCCCC1)c1cccs1 ZINC000049241552 570300395 /nfs/dbraw/zinc/30/03/95/570300395.db2.gz TXUPDTATYHBWCZ-CQSZACIVSA-N 0 0 294.464 4.611 50 0 CJAARN Cc1c(Cl)cccc1NC(=O)C(C)(C)c1ccccc1 ZINC000049525383 567893589 /nfs/dbraw/zinc/89/35/89/567893589.db2.gz OHTZDJRILADPJU-UHFFFAOYSA-N 0 0 287.790 4.565 50 0 CJAARN CC(C)(C)c1cc(Br)cc(Br)c1 ZINC000049582058 175489661 /nfs/dbraw/zinc/48/96/61/175489661.db2.gz SSPNOMJZVHXOII-UHFFFAOYSA-N 0 0 292.014 4.509 50 0 CJAARN CCc1ccc(-c2ccc(Br)cc2)cc1 ZINC000049588454 567893480 /nfs/dbraw/zinc/89/34/80/567893480.db2.gz OARBGVNQCYYPKT-UHFFFAOYSA-N 0 0 261.162 4.679 50 0 CJAARN Cc1nc(Oc2cccc(C)c2C)cc(-c2ccccc2)n1 ZINC000049597410 175490724 /nfs/dbraw/zinc/49/07/24/175490724.db2.gz AMTRGYZMZPXXAK-UHFFFAOYSA-N 0 0 290.366 4.861 50 0 CJAARN Clc1ccccc1Oc1cc(-c2ccccc2)ncn1 ZINC000049597411 567946835 /nfs/dbraw/zinc/94/68/35/567946835.db2.gz CFDAEPZKWFUNNR-UHFFFAOYSA-N 0 0 282.730 4.589 50 0 CJAARN C[C@H]1C(Cl)(Cl)C1(c1ccccc1)c1ccccc1 ZINC000049942674 567893980 /nfs/dbraw/zinc/89/39/80/567893980.db2.gz JCBREOWKKGFJNW-GFCCVEGCSA-N 0 0 277.194 4.796 50 0 CJAARN C[C@@H]1C(Cl)(Cl)C1(c1ccccc1)c1ccccc1 ZINC000049942675 567893794 /nfs/dbraw/zinc/89/37/94/567893794.db2.gz JCBREOWKKGFJNW-LBPRGKRZSA-N 0 0 277.194 4.796 50 0 CJAARN Cc1ccc2c(c1)C1c3ccccc3C2c2ccccc21 ZINC000049950974 175505083 /nfs/dbraw/zinc/50/50/83/175505083.db2.gz ZLGCDLHGOBFHFH-UHFFFAOYSA-N 0 0 268.359 4.982 50 0 CJAARN Cc1cccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1 ZINC000049983468 567946853 /nfs/dbraw/zinc/94/68/53/567946853.db2.gz VYSBBHOJVYYBGX-UHFFFAOYSA-N 0 0 288.346 4.881 50 0 CJAARN Cc1cc(C)c(NC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000051354127 184565622 /nfs/dbraw/zinc/56/56/22/184565622.db2.gz RIUUAQHFCDMPGR-UHFFFAOYSA-N 0 0 282.387 4.873 50 0 CJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000051354132 184565538 /nfs/dbraw/zinc/56/55/38/184565538.db2.gz DCPYWPJUBJZTGV-UHFFFAOYSA-N 0 0 268.360 4.564 50 0 CJAARN Cc1ccc(NC(=O)Nc2c(C)cccc2Cl)cc1C ZINC000051354182 184565918 /nfs/dbraw/zinc/56/59/18/184565918.db2.gz FTQLQHJCAJKXAC-UHFFFAOYSA-N 0 0 288.778 4.909 50 0 CJAARN CSc1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051354196 184566005 /nfs/dbraw/zinc/56/60/05/184566005.db2.gz HFGZATRZYQRZMP-UHFFFAOYSA-N 0 0 286.400 4.669 50 0 CJAARN Cc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1C ZINC000051354200 570295084 /nfs/dbraw/zinc/29/50/84/570295084.db2.gz GRPJRQRQAFIVHW-UHFFFAOYSA-N 0 0 292.741 4.740 50 0 CJAARN CC(C)c1cccc(NC(=O)Nc2cc(F)ccc2F)c1 ZINC000051354393 184565762 /nfs/dbraw/zinc/56/57/62/184565762.db2.gz JRRNKCDCDSGDNB-UHFFFAOYSA-N 0 0 290.313 4.732 50 0 CJAARN Cc1cccc(Cl)c1NC(=O)Nc1cc(F)ccc1F ZINC000051354441 184565787 /nfs/dbraw/zinc/56/57/87/184565787.db2.gz YASIWKCSAQZIGF-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN Cc1ccc(NC(=O)Nc2cc(F)ccc2F)c(Cl)c1 ZINC000051354445 184565903 /nfs/dbraw/zinc/56/59/03/184565903.db2.gz WKDSLNBAWIKUEU-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN Cc1cc(C)c(NC(=O)Nc2cccc(F)c2C)c(C)c1 ZINC000051354486 184565635 /nfs/dbraw/zinc/56/56/35/184565635.db2.gz WLZWQOUPWSQCNL-UHFFFAOYSA-N 0 0 286.350 4.703 50 0 CJAARN Cc1c(F)cccc1NC(=O)Nc1cccc(C(C)C)c1 ZINC000051354489 184565675 /nfs/dbraw/zinc/56/56/75/184565675.db2.gz YUXLVOYXXXFEKY-UHFFFAOYSA-N 0 0 286.350 4.902 50 0 CJAARN Cc1c(F)cccc1NC(=O)Nc1cccc(Cl)c1F ZINC000051354540 570295508 /nfs/dbraw/zinc/29/55/08/570295508.db2.gz GEFBTUQBBWPOTJ-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)cc1F ZINC000051354541 570295522 /nfs/dbraw/zinc/29/55/22/570295522.db2.gz QTJGAUSJOPPSEA-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN CSc1ccc(NC(=O)Nc2cccc(F)c2C)cc1 ZINC000051354569 184565575 /nfs/dbraw/zinc/56/55/75/184565575.db2.gz DFUCXEPESUSTKN-UHFFFAOYSA-N 0 0 290.363 4.500 50 0 CJAARN Cc1c(F)cccc1NC(=O)Nc1cc(Cl)ccc1F ZINC000051354573 184565938 /nfs/dbraw/zinc/56/59/38/184565938.db2.gz NHBWJYAGWJZSME-UHFFFAOYSA-N 0 0 296.704 4.571 50 0 CJAARN COc1ccc(NC(=O)Nc2cccc(C(C)C)c2)c(C)c1 ZINC000051355819 184566045 /nfs/dbraw/zinc/56/60/45/184566045.db2.gz KFKDTQNBZQEQJD-UHFFFAOYSA-N 0 0 298.386 4.771 50 0 CJAARN CCN(C(=O)/C=C/c1ccccc1Cl)C1CCCCC1 ZINC000051514505 256877033 /nfs/dbraw/zinc/87/70/33/256877033.db2.gz MEJGOQBYMRQAIO-OUKQBFOZSA-N 0 0 291.822 4.534 50 0 CJAARN Clc1cccc(OCc2cccnc2Cl)c1Cl ZINC000052724798 566840328 /nfs/dbraw/zinc/84/03/28/566840328.db2.gz MCYJLXKAIKYCCL-UHFFFAOYSA-N 0 0 288.561 4.621 50 0 CJAARN Cc1nc(Cl)cc(Oc2ccc(-c3ccccc3)cc2)n1 ZINC000052835015 566860070 /nfs/dbraw/zinc/86/00/70/566860070.db2.gz UMHLDKQMNSVUBR-UHFFFAOYSA-N 0 0 296.757 4.898 50 0 CJAARN C[C@@H](CNc1ccccc1)Oc1ccc(C(F)(F)F)cc1 ZINC000053562383 567940919 /nfs/dbraw/zinc/94/09/19/567940919.db2.gz HSDZMUUUIPVKDQ-LBPRGKRZSA-N 0 0 295.304 4.585 50 0 CJAARN C[C@H](CNc1ccccc1)Oc1ccc(C(F)(F)F)cc1 ZINC000053562387 570349116 /nfs/dbraw/zinc/34/91/16/570349116.db2.gz HSDZMUUUIPVKDQ-GFCCVEGCSA-N 0 0 295.304 4.585 50 0 CJAARN CC1(C)c2ccccc2-c2ccc(Br)cc21 ZINC000054962115 175566402 /nfs/dbraw/zinc/56/64/02/175566402.db2.gz MBHPOBSZPYEADG-UHFFFAOYSA-N 0 0 273.173 4.755 50 0 CJAARN Brc1cccc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000055010096 567946714 /nfs/dbraw/zinc/94/67/14/567946714.db2.gz ALJKMMYDJWKGBG-UHFFFAOYSA-N 0 0 291.232 4.917 50 0 CJAARN Brc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000055107272 570240667 /nfs/dbraw/zinc/24/06/67/570240667.db2.gz KCZDTZZRNNRKQE-UHFFFAOYSA-N 0 0 291.232 4.917 50 0 CJAARN CN(C)/C=C1/CCCc2c(=S)cc(-c3ccccc3)oc21 ZINC000055129452 570392591 /nfs/dbraw/zinc/39/25/91/570392591.db2.gz WFAWAHDWCKNWDO-OWBHPGMISA-N 0 0 297.423 4.915 50 0 CJAARN Cc1cccc(CN(C(=O)[C@@H](C)c2ccccc2)C(C)C)c1 ZINC000055385577 570242750 /nfs/dbraw/zinc/24/27/50/570242750.db2.gz QHZGJHBJPCDPJR-KRWDZBQOSA-N 0 0 295.426 4.536 50 0 CJAARN Cc1cccc(CN(C(=O)[C@H](C)c2ccccc2)C(C)C)c1 ZINC000055385579 570242963 /nfs/dbraw/zinc/24/29/63/570242963.db2.gz QHZGJHBJPCDPJR-QGZVFWFLSA-N 0 0 295.426 4.536 50 0 CJAARN Brc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000057326575 175591866 /nfs/dbraw/zinc/59/18/66/175591866.db2.gz RUKJUCNUNAMZLR-UHFFFAOYSA-N 0 0 278.193 4.589 50 0 CJAARN CC(C)(C)[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057360145 567895212 /nfs/dbraw/zinc/89/52/12/567895212.db2.gz RZLRQRPFXZFMPI-SNVBAGLBSA-N 0 0 261.796 4.972 50 0 CJAARN CC(C)(C)[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057360147 567895158 /nfs/dbraw/zinc/89/51/58/567895158.db2.gz RZLRQRPFXZFMPI-JTQLQIEISA-N 0 0 261.796 4.972 50 0 CJAARN Oc1cccc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000057476746 567894911 /nfs/dbraw/zinc/89/49/11/567894911.db2.gz HQBQIFFRSMMCRC-UHFFFAOYSA-N 0 0 265.356 4.815 50 0 CJAARN CN(C)/C=C1\CCCc2c(=S)cc(-c3ccccc3)oc21 ZINC000057478245 567158232 /nfs/dbraw/zinc/15/82/32/567158232.db2.gz WFAWAHDWCKNWDO-WYMLVPIESA-N 0 0 297.423 4.915 50 0 CJAARN ClC1(Cl)[C@H]2c3ccccc3-c3ccccc3[C@H]21 ZINC000057646622 175600991 /nfs/dbraw/zinc/60/09/91/175600991.db2.gz HQGMQJUEHLYMOY-OKILXGFUSA-N 0 0 261.151 4.722 50 0 CJAARN C[C@@]12C=Cc3occc3[C@H]1CC[C@]13CC(=O)[C@H](C1)CC[C@H]32 ZINC000057990239 175604612 /nfs/dbraw/zinc/60/46/12/175604612.db2.gz ZUHATORLUREVSD-OXQYBPPISA-N 0 0 282.383 4.566 50 0 CJAARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C(C)C)c2)o1 ZINC000057996511 567167101 /nfs/dbraw/zinc/16/71/01/567167101.db2.gz XFFLNVQVNPCEDK-CYBMUJFWSA-N 0 0 286.375 4.594 50 0 CJAARN Cc1ccc([C@H](C)NC(=O)Nc2cccc(C(C)C)c2)o1 ZINC000057996513 567168351 /nfs/dbraw/zinc/16/83/51/567168351.db2.gz XFFLNVQVNPCEDK-ZDUSSCGKSA-N 0 0 286.375 4.594 50 0 CJAARN CC(C)CN(C)C(=O)/C=C/c1ccc(-c2ccccc2)s1 ZINC000058003431 567895385 /nfs/dbraw/zinc/89/53/85/567895385.db2.gz GZTGZBXGQLFFQB-ZRDIBKRKSA-N 0 0 299.439 4.543 50 0 CJAARN Cc1c(Cl)cccc1NC(=O)N(CCC(C)C)C1CC1 ZINC000058007613 567938830 /nfs/dbraw/zinc/93/88/30/567938830.db2.gz NBLYCDZCYXEYEK-UHFFFAOYSA-N 0 0 294.826 4.691 50 0 CJAARN Cc1ccc(Cl)cc1NC(=O)N(CCC(C)C)C1CC1 ZINC000058065308 567170163 /nfs/dbraw/zinc/17/01/63/567170163.db2.gz RUGWCGBLUPABEN-UHFFFAOYSA-N 0 0 294.826 4.691 50 0 CJAARN Cc1ccc(NCc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000058098995 567895525 /nfs/dbraw/zinc/89/55/25/567895525.db2.gz LOXCSPVKAQSLCS-UHFFFAOYSA-N 0 0 297.789 4.651 50 0 CJAARN Cc1ccc([C@@H](C)N(C)c2ncnc3sccc32)c(C)c1 ZINC000058142543 567895315 /nfs/dbraw/zinc/89/53/15/567895315.db2.gz GYDFWVNBQZKJDW-CYBMUJFWSA-N 0 0 297.427 4.506 50 0 CJAARN Cc1ccc([C@H](C)N(C)c2ncnc3sccc32)c(C)c1 ZINC000058142549 567895554 /nfs/dbraw/zinc/89/55/54/567895554.db2.gz GYDFWVNBQZKJDW-ZDUSSCGKSA-N 0 0 297.427 4.506 50 0 CJAARN Cc1nc(SCc2cccc3ccccc32)oc1C ZINC000058156310 567895635 /nfs/dbraw/zinc/89/56/35/567895635.db2.gz LHHYTZPRFAXYDM-UHFFFAOYSA-N 0 0 269.369 4.737 50 0 CJAARN Cc1sc2[nH]c(-c3ccccc3)nc(=S)c2c1C ZINC000058159428 526886228 /nfs/dbraw/zinc/88/62/28/526886228.db2.gz KMLNIGIIURLDHI-UHFFFAOYSA-N 0 0 272.398 4.638 50 0 CJAARN Cc1ccccc1C[S@@](=O)Cc1cccc2ccccc21 ZINC000058168105 567172847 /nfs/dbraw/zinc/17/28/47/567172847.db2.gz PCIMTIFUWIRCPV-NRFANRHFSA-N 0 0 294.419 4.597 50 0 CJAARN Cc1ccccc1C[S@](=O)Cc1cccc2ccccc21 ZINC000058168106 567171641 /nfs/dbraw/zinc/17/16/41/567171641.db2.gz PCIMTIFUWIRCPV-OAQYLSRUSA-N 0 0 294.419 4.597 50 0 CJAARN CCN(C)c1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000058169174 567895570 /nfs/dbraw/zinc/89/55/70/567895570.db2.gz HGPNYHMFSJOQFI-UHFFFAOYSA-N 0 0 296.414 4.518 50 0 CJAARN Cc1ccc(C[S@@](=O)Cc2cccc3ccccc32)cc1 ZINC000058201399 567895533 /nfs/dbraw/zinc/89/55/33/567895533.db2.gz NAGZKERARKGKMN-NRFANRHFSA-N 0 0 294.419 4.597 50 0 CJAARN Cc1ccc(C[S@](=O)Cc2cccc3ccccc32)cc1 ZINC000058201400 567895351 /nfs/dbraw/zinc/89/53/51/567895351.db2.gz NAGZKERARKGKMN-OAQYLSRUSA-N 0 0 294.419 4.597 50 0 CJAARN Cc1c(C23CC4CC(CC(C4)C2)C3)cn2ccccc12 ZINC000058246676 175613678 /nfs/dbraw/zinc/61/36/78/175613678.db2.gz QVXSKJFYDKFXER-UHFFFAOYSA-N 0 0 265.400 4.716 50 0 CJAARN CCCCCN(C(=O)Nc1ccc(C)cc1F)C(C)C ZINC000058363431 175621016 /nfs/dbraw/zinc/62/10/16/175621016.db2.gz WXLPYFMINBXNSR-UHFFFAOYSA-N 0 0 280.387 4.567 50 0 CJAARN CCCC[C@@H](CC)CNC(=O)Nc1c(C)cccc1C ZINC000058466517 567896027 /nfs/dbraw/zinc/89/60/27/567896027.db2.gz IWGRMMVJQQBTJU-OAHLLOKOSA-N 0 0 276.424 4.641 50 0 CJAARN CCCC[C@H](CC)CNC(=O)Nc1c(C)cccc1C ZINC000058466518 567895936 /nfs/dbraw/zinc/89/59/36/567895936.db2.gz IWGRMMVJQQBTJU-HNNXBMFYSA-N 0 0 276.424 4.641 50 0 CJAARN C[C@@]12CC[C@@H]3[C@H](CC=C4CCCC[C@@]43C)[C@H]1CCC2=O ZINC000058506714 567091458 /nfs/dbraw/zinc/09/14/58/567091458.db2.gz AFGDPPHTYUQKOF-LLLOQXOTSA-N 0 0 272.432 4.908 50 0 CJAARN Cc1[nH]c2ccccc2c1-c1csc(-c2ccco2)n1 ZINC000058571272 567895790 /nfs/dbraw/zinc/89/57/90/567895790.db2.gz XQUPLYYCVJVSAF-UHFFFAOYSA-N 0 0 280.352 4.860 50 0 CJAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1CC2 ZINC000058627777 567946517 /nfs/dbraw/zinc/94/65/17/567946517.db2.gz DJTOLSNIKJIDFF-HZFWPQPFSA-N 0 0 276.464 4.780 50 0 CJAARN Cc1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000058871749 567181366 /nfs/dbraw/zinc/18/13/66/567181366.db2.gz RMZGHZPERUZXPJ-UHFFFAOYSA-N 0 0 299.370 4.837 50 0 CJAARN CCCCCN(C(=O)c1cc(SC)ccc1C)C(C)C ZINC000058917508 567896328 /nfs/dbraw/zinc/89/63/28/567896328.db2.gz OIZSBKLAOUVEEY-UHFFFAOYSA-N 0 0 293.476 4.758 50 0 CJAARN Cc1csc(S[C@@H]2CCCc3ccccc32)n1 ZINC000058986651 567896467 /nfs/dbraw/zinc/89/64/67/567896467.db2.gz HRTILFSDOFHNRZ-CYBMUJFWSA-N 0 0 261.415 4.621 50 0 CJAARN Cc1csc(S[C@H]2CCCc3ccccc32)n1 ZINC000058986655 567896545 /nfs/dbraw/zinc/89/65/45/567896545.db2.gz HRTILFSDOFHNRZ-ZDUSSCGKSA-N 0 0 261.415 4.621 50 0 CJAARN c1nc(S[C@H]2CCCc3ccccc32)n2ccccc12 ZINC000058986961 567896334 /nfs/dbraw/zinc/89/63/34/567896334.db2.gz ZTMZFVWDADSNCM-INIZCTEOSA-N 0 0 280.396 4.504 50 0 CJAARN c1nc(S[C@@H]2CCCc3ccccc32)n2ccccc12 ZINC000058986965 567896508 /nfs/dbraw/zinc/89/65/08/567896508.db2.gz ZTMZFVWDADSNCM-MRXNPFEDSA-N 0 0 280.396 4.504 50 0 CJAARN CC(C)Oc1ccc(-c2ccc(Br)cc2)cc1 ZINC000059049456 567896190 /nfs/dbraw/zinc/89/61/90/567896190.db2.gz JXISYYIKGVKADW-UHFFFAOYSA-N 0 0 291.188 4.903 50 0 CJAARN CCN(C(=S)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000059109837 567896426 /nfs/dbraw/zinc/89/64/26/567896426.db2.gz OITNMVAZXSFVHS-UHFFFAOYSA-N 0 0 298.455 4.835 50 0 CJAARN CN(Cc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000059371408 175632273 /nfs/dbraw/zinc/63/22/73/175632273.db2.gz QNISKXVIHHEBIG-UHFFFAOYSA-N 0 0 282.774 4.525 50 0 CJAARN CCN(Cc1cc(-c2ccccc2)no1)c1ccc(F)cc1 ZINC000059418916 567896239 /nfs/dbraw/zinc/89/62/39/567896239.db2.gz RTZRKZFRDBTUTP-UHFFFAOYSA-N 0 0 296.345 4.507 50 0 CJAARN Cc1cc2c(cc1Br)C(C)(C)C=CC2(C)C ZINC000059803753 567896911 /nfs/dbraw/zinc/89/69/11/567896911.db2.gz NPVIBWATZCPDIH-UHFFFAOYSA-N 0 0 279.221 4.883 50 0 CJAARN CC(C)c1noc([C@@H](C)SCc2cccc(Cl)c2)n1 ZINC000059830852 567896896 /nfs/dbraw/zinc/89/68/96/567896896.db2.gz IVWXXCKOCSYEIO-SNVBAGLBSA-N 0 0 296.823 4.841 50 0 CJAARN CC(C)c1noc([C@H](C)SCc2cccc(Cl)c2)n1 ZINC000059830853 567896845 /nfs/dbraw/zinc/89/68/45/567896845.db2.gz IVWXXCKOCSYEIO-JTQLQIEISA-N 0 0 296.823 4.841 50 0 CJAARN CCCc1noc(CS[C@@H](C)c2ccccc2Cl)n1 ZINC000059831112 567896837 /nfs/dbraw/zinc/89/68/37/567896837.db2.gz BJAANIPPKJXSKP-JTQLQIEISA-N 0 0 296.823 4.670 50 0 CJAARN CCCc1noc(CS[C@H](C)c2ccccc2Cl)n1 ZINC000059831115 175634200 /nfs/dbraw/zinc/63/42/00/175634200.db2.gz BJAANIPPKJXSKP-SNVBAGLBSA-N 0 0 296.823 4.670 50 0 CJAARN CC(C)CCOC(=O)c1ccccc1-c1ccccc1 ZINC000059842779 567896752 /nfs/dbraw/zinc/89/67/52/567896752.db2.gz QPUKDCVCXSXUKS-UHFFFAOYSA-N 0 0 268.356 4.557 50 0 CJAARN CCCC1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 ZINC000059843771 567896703 /nfs/dbraw/zinc/89/67/03/567896703.db2.gz YCJSTPHOMRNXMW-UHFFFAOYSA-N 0 0 294.442 4.756 50 0 CJAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2C(C)C)cc1 ZINC000059843773 567896660 /nfs/dbraw/zinc/89/66/60/567896660.db2.gz NHIVGUALBISPJM-UHFFFAOYSA-N 0 0 294.442 4.612 50 0 CJAARN C[C@H](Sc1ccccn1)c1ccc(F)c(Cl)c1 ZINC000059927354 567896881 /nfs/dbraw/zinc/89/68/81/567896881.db2.gz CBBKISJFHBOPTG-VIFPVBQESA-N 0 0 267.756 4.727 50 0 CJAARN C[C@@H](Sc1ccccn1)c1ccc(F)c(Cl)c1 ZINC000059927356 175634993 /nfs/dbraw/zinc/63/49/93/175634993.db2.gz CBBKISJFHBOPTG-SECBINFHSA-N 0 0 267.756 4.727 50 0 CJAARN CCCN(CC1CC1)C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000060019677 567896693 /nfs/dbraw/zinc/89/66/93/567896693.db2.gz SNZVEESTJJQXJY-UHFFFAOYSA-N 0 0 299.414 4.620 50 0 CJAARN Cc1cccc(-c2nc(-c3ccccc3)cs2)c1 ZINC000060055967 567896956 /nfs/dbraw/zinc/89/69/56/567896956.db2.gz QTYZJFDPFQNIML-UHFFFAOYSA-N 0 0 251.354 4.786 50 0 CJAARN COc1ccccc1SCc1nc2ccccc2s1 ZINC000060134107 327018535 /nfs/dbraw/zinc/01/85/35/327018535.db2.gz LXSPVQQWUZUAHB-UHFFFAOYSA-N 0 0 287.409 4.597 50 0 CJAARN Clc1ccc(OCc2ccccc2)cc1Cl ZINC000060182029 567090514 /nfs/dbraw/zinc/09/05/14/567090514.db2.gz ZJIDWIBPQJCMGM-UHFFFAOYSA-N 0 0 253.128 4.572 50 0 CJAARN CC(/C=C/c1nc2ccccc2o1)=C/c1ccccc1 ZINC000060349769 175636904 /nfs/dbraw/zinc/63/69/04/175636904.db2.gz HHRCASWZDFQQAJ-WCYNZMGESA-N 0 0 261.324 4.945 50 0 CJAARN Cc1cc(CNc2ccccc2Oc2cccc(F)c2)no1 ZINC000060458500 570247275 /nfs/dbraw/zinc/24/72/75/570247275.db2.gz DLGZUQQFLSWNEY-UHFFFAOYSA-N 0 0 298.317 4.527 50 0 CJAARN C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc21)C1CC1 ZINC000060991855 567927259 /nfs/dbraw/zinc/92/72/59/567927259.db2.gz DIIAJAFGBNCTGM-LLVKDONJSA-N 0 0 295.411 4.569 50 0 CJAARN C[C@H]1CN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000061071549 567927571 /nfs/dbraw/zinc/92/75/71/567927571.db2.gz QUGMCJFYADNKNB-LBPRGKRZSA-N 0 0 296.395 4.527 50 0 CJAARN Fc1cccc(NCc2nc(-c3ccccc3)cs2)c1 ZINC000061680732 567931206 /nfs/dbraw/zinc/93/12/06/567931206.db2.gz DPQNWVIBLHNHIG-UHFFFAOYSA-N 0 0 284.359 4.561 50 0 CJAARN FC(F)(Cl)c1ccc(C(F)(Cl)Cl)cc1 ZINC000063146226 567897601 /nfs/dbraw/zinc/89/76/01/567897601.db2.gz YNLAZLNVKVRNSQ-UHFFFAOYSA-N 0 0 263.473 4.532 50 0 CJAARN Cc1ccc(CNCc2ccccc2Oc2ccccc2)o1 ZINC000063319290 570326255 /nfs/dbraw/zinc/32/62/55/570326255.db2.gz GQSPTGYIQSDHKG-UHFFFAOYSA-N 0 0 293.366 4.670 50 0 CJAARN FC(F)(F)c1cc(Cl)c(Cl)c(Br)c1 ZINC000063339611 175686347 /nfs/dbraw/zinc/68/63/47/175686347.db2.gz IDNWCAFYCYUXAR-UHFFFAOYSA-N 0 0 293.897 4.775 50 0 CJAARN Cc1cccc2[nH]cc(-c3csc(-c4ccco4)n3)c21 ZINC000063629695 570339664 /nfs/dbraw/zinc/33/96/64/570339664.db2.gz LAIALUACHYBDKJ-UHFFFAOYSA-N 0 0 280.352 4.860 50 0 CJAARN COCc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 ZINC000063631041 570339707 /nfs/dbraw/zinc/33/97/07/570339707.db2.gz NIPUKRMYJGXWCZ-UHFFFAOYSA-N 0 0 293.391 4.528 50 0 CJAARN CC(C)c1ccc(SCc2cn3ccsc3n2)cc1 ZINC000064313969 566963894 /nfs/dbraw/zinc/96/38/94/566963894.db2.gz ZBGDZHDLRSXGGZ-UHFFFAOYSA-N 0 0 288.441 4.812 50 0 CJAARN Cc1c2cc(C)ccc2oc1-c1noc(-c2ccsc2)n1 ZINC000064676722 566994524 /nfs/dbraw/zinc/99/45/24/566994524.db2.gz RPNDWQYYIVELQF-UHFFFAOYSA-N 0 0 296.351 4.828 50 0 CJAARN Cc1ccccc1NC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968262 175699639 /nfs/dbraw/zinc/69/96/39/175699639.db2.gz MHDGDMMMLKDGDC-UHFFFAOYSA-N 0 0 294.354 4.512 50 0 CJAARN Cc1c2cc(C)ccc2oc1-c1noc(-c2cccs2)n1 ZINC000065097196 175701041 /nfs/dbraw/zinc/70/10/41/175701041.db2.gz HFAGTWHCRITMGO-UHFFFAOYSA-N 0 0 296.351 4.828 50 0 CJAARN Cc1c2cc(C)ccc2oc1-c1noc(-c2ccccc2)n1 ZINC000065097221 175700963 /nfs/dbraw/zinc/70/09/63/175700963.db2.gz UWPWNVHWJISKDP-UHFFFAOYSA-N 0 0 290.322 4.767 50 0 CJAARN Cc1ccccc1NC(=O)c1cc2cn(C(C)C)cc2s1 ZINC000065285419 570361505 /nfs/dbraw/zinc/36/15/05/570361505.db2.gz UWFNUBRFAPOTQA-UHFFFAOYSA-N 0 0 298.411 4.844 50 0 CJAARN CCCC(=O)N1CCc2c(-c3ccccc3)cccc2[C@H]1C ZINC000065293139 570361843 /nfs/dbraw/zinc/36/18/43/570361843.db2.gz RPGUXCMBWKOZQO-OAHLLOKOSA-N 0 0 293.410 4.599 50 0 CJAARN Cc1oc(C2CCC2)nc1C(=O)Nc1cccc(C(C)C)c1 ZINC000065293543 570361901 /nfs/dbraw/zinc/36/19/01/570361901.db2.gz YDUUJRHKBQTGPA-UHFFFAOYSA-N 0 0 298.386 4.626 50 0 CJAARN Cc1ccnc(Nc2nc(-c3ccccc3C)cs2)c1 ZINC000065306155 175708728 /nfs/dbraw/zinc/70/87/28/175708728.db2.gz FSSCIEGHJXRDBV-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN Cc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1C ZINC000065306156 175708663 /nfs/dbraw/zinc/70/86/63/175708663.db2.gz BWMZYIVJZMQHJS-UHFFFAOYSA-N 0 0 299.374 4.705 50 0 CJAARN Brc1ccccc1CSC1CCCC1 ZINC000065331647 570243601 /nfs/dbraw/zinc/24/36/01/570243601.db2.gz REXVPYWEJRLLSN-UHFFFAOYSA-N 0 0 271.223 4.625 50 0 CJAARN Clc1cc(Br)cc(OCc2ccccc2)c1 ZINC000065337292 175709651 /nfs/dbraw/zinc/70/96/51/175709651.db2.gz PKROBCVIFMCNTC-UHFFFAOYSA-N 0 0 297.579 4.682 50 0 CJAARN Clc1ccc(Br)cc1OCc1ccccc1 ZINC000065337303 570244029 /nfs/dbraw/zinc/24/40/29/570244029.db2.gz CJNSNMPZMZMQJA-UHFFFAOYSA-N 0 0 297.579 4.682 50 0 CJAARN Cc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1O ZINC000065340633 175710726 /nfs/dbraw/zinc/71/07/26/175710726.db2.gz KWJYGJDDTZNRHB-UHFFFAOYSA-N 0 0 290.362 4.947 50 0 CJAARN Oc1ccc(-c2ccc(Cl)cc2Cl)cc1F ZINC000065341074 570244015 /nfs/dbraw/zinc/24/40/15/570244015.db2.gz PBUGWWVOYDZJLV-UHFFFAOYSA-N 0 0 257.091 4.505 50 0 CJAARN Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F ZINC000065341213 567898679 /nfs/dbraw/zinc/89/86/79/567898679.db2.gz GKMJSHZSALBUMI-UHFFFAOYSA-N 0 0 294.325 4.777 50 0 CJAARN Oc1ccc(-c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000065341215 567898723 /nfs/dbraw/zinc/89/87/23/567898723.db2.gz MGXSUZPIPHJTCG-UHFFFAOYSA-N 0 0 294.325 4.777 50 0 CJAARN O=C(Nc1ccccc1)Nc1ccc(OC2CCCC2)cc1 ZINC000065365262 567898712 /nfs/dbraw/zinc/89/87/12/567898712.db2.gz FDLJIDVYXAVYMW-UHFFFAOYSA-N 0 0 296.370 4.652 50 0 CJAARN c1cc([C@@H]2CCCCO2)oc1-c1[nH]cnc1-c1ccccc1 ZINC000065395667 567899225 /nfs/dbraw/zinc/89/92/25/567899225.db2.gz QRHFCQMYZOGFDI-AWEZNQCLSA-N 0 0 294.354 4.578 50 0 CJAARN c1cc([C@H]2CCCCO2)oc1-c1[nH]cnc1-c1ccccc1 ZINC000065395668 567899084 /nfs/dbraw/zinc/89/90/84/567899084.db2.gz QRHFCQMYZOGFDI-CQSZACIVSA-N 0 0 294.354 4.578 50 0 CJAARN CC(=O)Nc1ccc(Cl)cc1-c1cccc2cnccc21 ZINC000065396925 567898980 /nfs/dbraw/zinc/89/89/80/567898980.db2.gz MKCCFMUDLSJBGF-UHFFFAOYSA-N 0 0 296.757 4.514 50 0 CJAARN Cc1nc(C(C)C)sc1C(=O)NC(C)(C)CC(C)(C)C ZINC000065405193 567008606 /nfs/dbraw/zinc/00/86/06/567008606.db2.gz IHVNAWXLGJUCDD-UHFFFAOYSA-N 0 0 296.480 4.520 50 0 CJAARN Cc1ccsc1-c1c(-c2ccccc2)ncn1CCF ZINC000065497144 175744499 /nfs/dbraw/zinc/74/44/99/175744499.db2.gz RLRRKCPOKMSOPV-UHFFFAOYSA-N 0 0 286.375 4.557 50 0 CJAARN CC(=O)c1c(Cl)nc2ccccc2c1-c1ccccc1 ZINC000065532278 567009794 /nfs/dbraw/zinc/00/97/94/567009794.db2.gz YVZFNZZFUOMQKR-UHFFFAOYSA-N 0 0 281.742 4.758 50 0 CJAARN c1ccc2oc(Nc3cccc(N4CCCCC4)c3)nc2c1 ZINC000065586446 134937909 /nfs/dbraw/zinc/93/79/09/134937909.db2.gz SOJMSQRQYARQGQ-UHFFFAOYSA-N 0 0 293.370 4.562 50 0 CJAARN c1ccc(CSCc2cccc3cccnc32)cc1 ZINC000065594698 570362595 /nfs/dbraw/zinc/36/25/95/570362595.db2.gz IIWXXTOAEQDCRB-UHFFFAOYSA-N 0 0 265.381 4.668 50 0 CJAARN Clc1ccc2c(c1)Cc1cc(Cl)cc([C@@H]3CO3)c1-2 ZINC000065748311 184569189 /nfs/dbraw/zinc/56/91/89/184569189.db2.gz GVFBXSRAIWZONX-AWEZNQCLSA-N 0 0 277.150 4.636 50 0 in-vitro CJAARN Clc1ccc2c(c1)Cc1cc(Cl)cc([C@H]3CO3)c1-2 ZINC000065748312 184569187 /nfs/dbraw/zinc/56/91/87/184569187.db2.gz GVFBXSRAIWZONX-CQSZACIVSA-N 0 0 277.150 4.636 50 0 in-vitro CJAARN CC(c1ccccc1)(c1ccccc1)C(F)(F)F ZINC000066323184 567899797 /nfs/dbraw/zinc/89/97/97/567899797.db2.gz BZLSCVAPEFKLSB-UHFFFAOYSA-N 0 0 250.263 4.555 50 0 CJAARN Cc1cccc2cc(C34CC5CC(CC(C5)C3)C4)[nH]c21 ZINC000066324260 175757069 /nfs/dbraw/zinc/75/70/69/175757069.db2.gz YCYDCVWFCSMGGM-UHFFFAOYSA-N 0 0 265.400 4.944 50 0 CJAARN FC(F)(F)c1ccc2cc(C(F)(F)F)ccc2c1 ZINC000066329357 327079816 /nfs/dbraw/zinc/07/98/16/327079816.db2.gz XRFZRDCUMZCBDF-UHFFFAOYSA-N 0 0 264.168 4.877 50 0 CJAARN FC(F)(c1ccccc1)c1ccccc1Br ZINC000066330514 327079926 /nfs/dbraw/zinc/07/99/26/327079926.db2.gz ZYDAIIAPFHRCLV-UHFFFAOYSA-N 0 0 283.115 4.589 50 0 CJAARN Fc1c(C(F)(F)F)cccc1C(F)(F)c1ccccc1 ZINC000066330570 327079840 /nfs/dbraw/zinc/07/98/40/327079840.db2.gz SIFCKSPXFPKUIW-UHFFFAOYSA-N 0 0 290.206 4.985 50 0 CJAARN Fc1cc(C(F)(F)c2ccccc2)ccc1C(F)(F)F ZINC000066330572 327079806 /nfs/dbraw/zinc/07/98/06/327079806.db2.gz OATPJHOIFUCJHS-UHFFFAOYSA-N 0 0 290.206 4.985 50 0 CJAARN Fc1cc(C(F)(F)F)cc(C(F)(F)c2ccccc2)c1 ZINC000066330574 327079860 /nfs/dbraw/zinc/07/98/60/327079860.db2.gz OQARXMMLTZLVIC-UHFFFAOYSA-N 0 0 290.206 4.985 50 0 CJAARN FC(F)(F)c1ccccc1C(F)(F)c1ccccc1 ZINC000066330575 327079845 /nfs/dbraw/zinc/07/98/45/327079845.db2.gz FGKPZXQGLVOLFN-UHFFFAOYSA-N 0 0 272.216 4.846 50 0 CJAARN CC1=CC(C)(C)Nc2cccc3c2c1cn3C(C)C ZINC000066442587 567899787 /nfs/dbraw/zinc/89/97/87/567899787.db2.gz WPVNOZYIBFYENB-UHFFFAOYSA-N 0 0 254.377 4.830 50 0 CJAARN S=C1NC2(CCCCCC2)N=C1c1cccc(Cl)c1 ZINC000067172577 570246385 /nfs/dbraw/zinc/24/63/85/570246385.db2.gz ZONCOMHLEGLYMW-UHFFFAOYSA-N 0 0 292.835 4.522 50 0 CJAARN CCc1ccc(-c2[nH]nc3c2cnc2ccc(C)cc32)cc1 ZINC000067172723 175769831 /nfs/dbraw/zinc/76/98/31/175769831.db2.gz MRLVHALNDJBDKO-UHFFFAOYSA-N 0 0 287.366 4.649 50 0 CJAARN Cc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 ZINC000067192471 567194982 /nfs/dbraw/zinc/19/49/82/567194982.db2.gz MWOJLHFVTOOLBJ-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN CC(Br)=C(c1ccccc1)c1ccccc1 ZINC000067319136 175772629 /nfs/dbraw/zinc/77/26/29/175772629.db2.gz JUEBDJZEVFVZKZ-UHFFFAOYSA-N 0 0 273.173 4.861 50 0 CJAARN Cc1ccc(-c2csc(Nc3cccnc3)n2)c(C)c1 ZINC000067321688 175773029 /nfs/dbraw/zinc/77/30/29/175773029.db2.gz YASLHEPIKXVUAW-UHFFFAOYSA-N 0 0 281.384 4.566 50 0 CJAARN Cc1ccc(-c2csc(Nc3ncccc3C)n2)c(C)c1 ZINC000067321692 567197374 /nfs/dbraw/zinc/19/73/74/567197374.db2.gz JQVGWZBTDZRWQF-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccc(-c2csc(Nc3cccc(C)n3)n2)c(C)c1 ZINC000067321696 567196845 /nfs/dbraw/zinc/19/68/45/567196845.db2.gz HYMPGCRVYCXNAZ-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1ccc(-c2csc(Nc3ncccc3C)n2)cc1C ZINC000067321707 175773039 /nfs/dbraw/zinc/77/30/39/175773039.db2.gz SYETYBCNYZELIV-UHFFFAOYSA-N 0 0 295.411 4.874 50 0 CJAARN Cc1cccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)n1 ZINC000067321710 567197123 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CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000072065718 567881169 /nfs/dbraw/zinc/88/11/69/567881169.db2.gz LNMCXJOYCOKEEY-CABCVRRESA-N 0 0 297.398 4.702 50 0 CJAARN CC[C@H](C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000072065719 256862841 /nfs/dbraw/zinc/86/28/41/256862841.db2.gz LNMCXJOYCOKEEY-GJZGRUSLSA-N 0 0 297.398 4.702 50 0 CJAARN CC[C@@H](C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000072065720 567881039 /nfs/dbraw/zinc/88/10/39/567881039.db2.gz LNMCXJOYCOKEEY-HUUCEWRRSA-N 0 0 297.398 4.702 50 0 CJAARN CC[C@H](C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000072065721 256862360 /nfs/dbraw/zinc/86/23/60/256862360.db2.gz LNMCXJOYCOKEEY-LSDHHAIUSA-N 0 0 297.398 4.702 50 0 CJAARN Oc1cccc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1 ZINC000072097457 176315069 /nfs/dbraw/zinc/31/50/69/176315069.db2.gz WMZMPZJSTVSVSQ-UHFFFAOYSA-N 0 0 292.363 4.664 50 0 CJAARN FC(F)(F)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000072136224 176322144 /nfs/dbraw/zinc/32/21/44/176322144.db2.gz DOKWHKZKJQGXGV-UHFFFAOYSA-N 0 0 279.286 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CCCCCN(C(=O)Nc1ccccc1)[C@@H](C)CCC ZINC000072289021 567884537 /nfs/dbraw/zinc/88/45/37/567884537.db2.gz RSTQPZROBNVKKO-HNNXBMFYSA-N 0 0 276.424 4.899 50 0 CJAARN CCCCCN(C(=O)Nc1ccccc1)[C@H](C)CCC ZINC000072289022 567884217 /nfs/dbraw/zinc/88/42/17/567884217.db2.gz RSTQPZROBNVKKO-OAHLLOKOSA-N 0 0 276.424 4.899 50 0 CJAARN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 ZINC000072289035 567884528 /nfs/dbraw/zinc/88/45/28/567884528.db2.gz GPWDZLJHFKEGPH-XUJVJEKNSA-N 0 0 292.810 4.525 50 0 CJAARN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 ZINC000072289037 567884259 /nfs/dbraw/zinc/88/42/59/567884259.db2.gz GPWDZLJHFKEGPH-JMSVASOKSA-N 0 0 292.810 4.525 50 0 CJAARN Cc1ccc(NC(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc1Cl ZINC000072296063 567910155 /nfs/dbraw/zinc/91/01/55/567910155.db2.gz HBIWPOOLRXDRHY-STQMWFEESA-N 0 0 294.826 4.547 50 0 CJAARN Cc1ccc(NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)cc1Cl ZINC000072296064 567910121 /nfs/dbraw/zinc/91/01/21/567910121.db2.gz HBIWPOOLRXDRHY-QWHCGFSZSA-N 0 0 294.826 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50 0 CJAARN Cc1cccc(N(C)C(=S)Nc2cccc(C(C)C)c2)c1 ZINC000072332222 570240225 /nfs/dbraw/zinc/24/02/25/570240225.db2.gz VUTAWECZYJIXFA-UHFFFAOYSA-N 0 0 298.455 4.952 50 0 CJAARN Cc1ccc(N(C)C(=S)Nc2cccc(C(C)C)c2)cc1 ZINC000072332223 570240217 /nfs/dbraw/zinc/24/02/17/570240217.db2.gz HYTKQNLPZSAVPT-UHFFFAOYSA-N 0 0 298.455 4.952 50 0 CJAARN Cc1cccc(N(C)C(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000072332234 567925113 /nfs/dbraw/zinc/92/51/13/567925113.db2.gz HMUUHOZFXQMOHB-UHFFFAOYSA-N 0 0 298.455 4.952 50 0 CJAARN Cc1ccc(N(C)C(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000072332235 567925063 /nfs/dbraw/zinc/92/50/63/567925063.db2.gz CDQCVAVJZJXETQ-UHFFFAOYSA-N 0 0 298.455 4.952 50 0 CJAARN COc1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000074937795 567903492 /nfs/dbraw/zinc/90/34/92/567903492.db2.gz ZCFMRUNUYUUWGS-UHFFFAOYSA-N 0 0 290.362 4.941 50 0 CJAARN COc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000074937804 567903699 /nfs/dbraw/zinc/90/36/99/567903699.db2.gz OVFLFSNEOYMNDI-UHFFFAOYSA-N 0 0 290.362 4.941 50 0 CJAARN O=C(CCC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000074937927 176638266 /nfs/dbraw/zinc/63/82/66/176638266.db2.gz BZCAMWKOBNENFL-UHFFFAOYSA-N 0 0 286.293 4.738 50 0 CJAARN C[C@H]([N@H+](C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108163 566934996 /nfs/dbraw/zinc/93/49/96/566934996.db2.gz ADSLRPCRANMQKG-LBPRGKRZSA-N 0 0 288.822 4.509 50 0 CJAARN C[C@@H]([N@H+](C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108165 566935392 /nfs/dbraw/zinc/93/53/92/566935392.db2.gz ADSLRPCRANMQKG-GFCCVEGCSA-N 0 0 288.822 4.509 50 0 CJAARN Clc1ccc2c(c1)nc(Cl)nc2-c1ccccc1 ZINC000075110312 566936603 /nfs/dbraw/zinc/93/66/03/566936603.db2.gz WRFBXIJMBSXJAW-UHFFFAOYSA-N 0 0 275.138 4.604 50 0 CJAARN COc1ccccc1-c1n[nH]c2c1[C@H](C)CC[C@@H]2C(C)C ZINC000075245291 566938203 /nfs/dbraw/zinc/93/82/03/566938203.db2.gz DOCULXUTTBJQHV-CHWSQXEVSA-N 0 0 284.403 4.722 50 0 CJAARN COc1ccccc1-c1n[nH]c2c1[C@@H](C)CC[C@H]2C(C)C ZINC000075245292 566938291 /nfs/dbraw/zinc/93/82/91/566938291.db2.gz DOCULXUTTBJQHV-STQMWFEESA-N 0 0 284.403 4.722 50 0 CJAARN Clc1ccc(N2N=C(c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000075249720 566938368 /nfs/dbraw/zinc/93/83/68/566938368.db2.gz KQSUETDXYWCWFL-IRXDYDNUSA-N 0 0 296.801 4.733 50 0 CJAARN Clc1ccc(N2N=C(c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000075249721 566938352 /nfs/dbraw/zinc/93/83/52/566938352.db2.gz KQSUETDXYWCWFL-DLBZAZTESA-N 0 0 296.801 4.733 50 0 CJAARN Clc1ccc(N2N=C(c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000075249724 566938886 /nfs/dbraw/zinc/93/88/86/566938886.db2.gz KQSUETDXYWCWFL-SJORKVTESA-N 0 0 296.801 4.733 50 0 CJAARN Clc1ccc(N2N=C(c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000075249726 566938694 /nfs/dbraw/zinc/93/86/94/566938694.db2.gz KQSUETDXYWCWFL-IAGOWNOFSA-N 0 0 296.801 4.733 50 0 CJAARN CC(=O)c1ccc(-c2cnc(-c3ccc(C)cc3)o2)cc1 ZINC000075250118 566938328 /nfs/dbraw/zinc/93/83/28/566938328.db2.gz FFVUEDLCNYRMHD-UHFFFAOYSA-N 0 0 277.323 4.520 50 0 CJAARN Cc1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 ZINC000075250901 566938294 /nfs/dbraw/zinc/93/82/94/566938294.db2.gz RRTHUXNSBDKADU-UHFFFAOYSA-N 0 0 281.138 4.521 50 0 CJAARN FC(F)Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000075251851 566937704 /nfs/dbraw/zinc/93/77/04/566937704.db2.gz PKLKNJAQNSKHEB-UHFFFAOYSA-N 0 0 277.295 4.565 50 0 CJAARN c1csc(-c2cc3nc4ccccc4nc3s2)c1 ZINC000075260027 566938086 /nfs/dbraw/zinc/93/80/86/566938086.db2.gz WCDNNBVWPJPKBA-UHFFFAOYSA-N 0 0 268.366 4.573 50 0 CJAARN CCC/C(=C/n1ccnc1)c1ccc(Cl)cc1Cl ZINC000075270717 566939731 /nfs/dbraw/zinc/93/97/31/566939731.db2.gz VOCGAWHHDPBQGI-LUAWRHEFSA-N 0 0 281.186 4.988 50 0 CJAARN CC(=O)Oc1cc2c(Cl)cccc2c2sccc21 ZINC000075272950 566940472 /nfs/dbraw/zinc/94/04/72/566940472.db2.gz OSQXMZQQIQZPGP-UHFFFAOYSA-N 0 0 276.744 4.633 50 0 CJAARN Cn1ccnc1/C=C/C=C(c1ccccc1)c1ccccc1 ZINC000075273144 566939883 /nfs/dbraw/zinc/93/98/83/566939883.db2.gz BBDIKGHJQXDPAB-RIYZIHGNSA-N 0 0 286.378 4.565 50 0 CJAARN COc1ccc2c(c1)Sc1ccc(Cl)cc1C=C2 ZINC000075278566 566940757 /nfs/dbraw/zinc/94/07/57/566940757.db2.gz CBJAQBSPBUXWMS-UHFFFAOYSA-N 0 0 274.772 4.984 50 0 CJAARN CCOC(=O)c1sc2c(sc3cccc(C)c32)c1C ZINC000075279450 566940503 /nfs/dbraw/zinc/94/05/03/566940503.db2.gz MHSCUOKDQMIRHM-UHFFFAOYSA-N 0 0 290.409 4.910 50 0 CJAARN CCCCCC(=O)SC1=NC(C)(C)Cc2ccccc21 ZINC000075280075 566940438 /nfs/dbraw/zinc/94/04/38/566940438.db2.gz BVZJZXNHBTWDJC-UHFFFAOYSA-N 0 0 289.444 4.608 50 0 CJAARN COc1cc2c(ccn2Cc2ccccc2)c2ccsc21 ZINC000075280289 566940068 /nfs/dbraw/zinc/94/00/68/566940068.db2.gz BHSBBDICVODKSX-UHFFFAOYSA-N 0 0 293.391 4.913 50 0 CJAARN O[C@@H]1CCCc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000075283384 566956349 /nfs/dbraw/zinc/95/63/49/566956349.db2.gz ICILJTLOXXJMKA-QGZVFWFLSA-N 0 0 269.388 4.585 50 0 CJAARN O[C@H]1CCCc2c3cc(C4CCCCC4)ccc3[nH]c21 ZINC000075283386 566940374 /nfs/dbraw/zinc/94/03/74/566940374.db2.gz ICILJTLOXXJMKA-KRWDZBQOSA-N 0 0 269.388 4.585 50 0 CJAARN Cc1sc(C)c(-c2nccs2)c1-c1nccs1 ZINC000075286163 566940776 /nfs/dbraw/zinc/94/07/76/566940776.db2.gz YSTYZIYNVXBVFO-UHFFFAOYSA-N 0 0 278.427 4.612 50 0 CJAARN CC(=O)n1nc2c(c1-c1ccccc1)[C@H](C)CC[C@@H]2C(C)C ZINC000075287059 566940004 /nfs/dbraw/zinc/94/00/04/566940004.db2.gz MTZOTXMZQHBAQM-CZUORRHYSA-N 0 0 296.414 4.847 50 0 CJAARN CC(=O)n1nc2c(c1-c1ccccc1)[C@@H](C)CC[C@H]2C(C)C ZINC000075287061 256702479 /nfs/dbraw/zinc/70/24/79/256702479.db2.gz MTZOTXMZQHBAQM-BBRMVZONSA-N 0 0 296.414 4.847 50 0 CJAARN Cc1c2c(c(C)c3c(F)c(F)c(F)c(F)c13)CC=CC2 ZINC000075287225 566939718 /nfs/dbraw/zinc/93/97/18/566939718.db2.gz BOJRVQPFGSGCAD-UHFFFAOYSA-N 0 0 280.264 4.668 50 0 CJAARN CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000075290374 567903745 /nfs/dbraw/zinc/90/37/45/567903745.db2.gz UYCCGQCNJNKWEW-UHFFFAOYSA-N 0 0 295.688 4.706 50 0 CJAARN CC(C)c1ccccc1NC(=O)C(C)(C)c1ccccc1 ZINC000075496705 567904077 /nfs/dbraw/zinc/90/40/77/567904077.db2.gz ZSTCILDKHJRPAM-UHFFFAOYSA-N 0 0 281.399 4.726 50 0 CJAARN Clc1ccccc1NCc1coc(-c2ccccc2)n1 ZINC000075568214 570356403 /nfs/dbraw/zinc/35/64/03/570356403.db2.gz CKKDAJASZDOVEP-UHFFFAOYSA-N 0 0 284.746 4.607 50 0 CJAARN CCCCC1CCC(C(=O)Nc2ccncc2CC)CC1 ZINC000075612207 570356195 /nfs/dbraw/zinc/35/61/95/570356195.db2.gz UQQRHEQFUOSCFY-UHFFFAOYSA-N 0 0 288.435 4.579 50 0 CJAARN Fc1ccccc1-c1nc2ccccc2n1-c1ccccc1 ZINC000076046447 176891390 /nfs/dbraw/zinc/89/13/90/176891390.db2.gz COOGNCBKKSOCQS-UHFFFAOYSA-N 0 0 288.325 4.832 50 0 CJAARN Fc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 ZINC000076046745 567904062 /nfs/dbraw/zinc/90/40/62/567904062.db2.gz IXJYNVUQHFCCSD-UHFFFAOYSA-N 0 0 288.325 4.832 50 0 CJAARN CCc1ccc(O[C@@H](C)c2nc3cc(C)ccc3[nH]2)cc1 ZINC000076555413 177037718 /nfs/dbraw/zinc/03/77/18/177037718.db2.gz PSPPSIPTNZNDJP-ZDUSSCGKSA-N 0 0 280.371 4.574 50 0 CJAARN CCc1ccc(O[C@H](C)c2nc3cc(C)ccc3[nH]2)cc1 ZINC000076555415 177037861 /nfs/dbraw/zinc/03/78/61/177037861.db2.gz PSPPSIPTNZNDJP-CYBMUJFWSA-N 0 0 280.371 4.574 50 0 CJAARN FC(F)(F)c1cc(-c2ccccc2)nc2ccccc21 ZINC000077011101 177146689 /nfs/dbraw/zinc/14/66/89/177146689.db2.gz VQIABGRPTYQIDI-UHFFFAOYSA-N 0 0 273.257 4.921 50 0 CJAARN FC(F)(F)c1ccc(C(F)(F)F)c2ccccc21 ZINC000077011938 177147089 /nfs/dbraw/zinc/14/70/89/177147089.db2.gz ZNVGIJXGUXKCNE-UHFFFAOYSA-N 0 0 264.168 4.877 50 0 CJAARN FC1(F)c2ccccc2-c2ccccc2C1(F)F ZINC000077011948 177147278 /nfs/dbraw/zinc/14/72/78/177147278.db2.gz ZTJJUXMRRLYLMS-UHFFFAOYSA-N 0 0 252.210 4.551 50 0 CJAARN CCCC[C@@H]1C=CCN1C(=O)c1oc2ccc(C)cc2c1C ZINC000077470362 177271583 /nfs/dbraw/zinc/27/15/83/177271583.db2.gz SVPONSMJQGOXNG-OAHLLOKOSA-N 0 0 297.398 4.620 50 0 CJAARN CCCC[C@H]1C=CCN1C(=O)c1oc2ccc(C)cc2c1C ZINC000077470363 177272090 /nfs/dbraw/zinc/27/20/90/177272090.db2.gz SVPONSMJQGOXNG-HNNXBMFYSA-N 0 0 297.398 4.620 50 0 CJAARN CC(=O)c1ccc(OCc2c(C)cc(C)cc2C)cc1F ZINC000078530483 177350261 /nfs/dbraw/zinc/35/02/61/177350261.db2.gz XEYZMESCXZGWSQ-UHFFFAOYSA-N 0 0 286.346 4.533 50 0 CJAARN CC[C@@H](C)Sc1nn(-c2ccccc2)c(=S)s1 ZINC000078835779 177395952 /nfs/dbraw/zinc/39/59/52/177395952.db2.gz GHQUKOWGDCDKAL-SECBINFHSA-N 0 0 282.459 4.554 50 0 CJAARN CC[C@H](C)Sc1nn(-c2ccccc2)c(=S)s1 ZINC000078835784 177395961 /nfs/dbraw/zinc/39/59/61/177395961.db2.gz GHQUKOWGDCDKAL-VIFPVBQESA-N 0 0 282.459 4.554 50 0 CJAARN c1cc2nccc(N3CCC(c4ccccc4)CC3)c2s1 ZINC000078904384 136509291 /nfs/dbraw/zinc/50/92/91/136509291.db2.gz HCYBJHMMMYQPHQ-UHFFFAOYSA-N 0 0 294.423 4.680 50 0 CJAARN CC(=O)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC000078942400 567860118 /nfs/dbraw/zinc/86/01/18/567860118.db2.gz BZNKJNBIZKGQMY-UHFFFAOYSA-N 0 0 281.138 4.988 50 0 CJAARN Cc1ccsc1-c1cccc(N[C@@H](C)c2nnc(C)o2)c1 ZINC000079030550 570396225 /nfs/dbraw/zinc/39/62/25/570396225.db2.gz UGLIYLUSQBBTQD-NSHDSACASA-N 0 0 299.399 4.588 50 0 CJAARN Cc1ccsc1-c1cccc(N[C@H](C)c2nnc(C)o2)c1 ZINC000079030554 177418326 /nfs/dbraw/zinc/41/83/26/177418326.db2.gz UGLIYLUSQBBTQD-LLVKDONJSA-N 0 0 299.399 4.588 50 0 CJAARN O=Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1F ZINC000082046470 567906888 /nfs/dbraw/zinc/90/68/88/567906888.db2.gz MIZDCJVWRWQQIU-UHFFFAOYSA-N 0 0 269.102 4.612 50 0 CJAARN Brc1ccc2nc(-c3ccccc3)ccc2c1 ZINC000082048333 567906860 /nfs/dbraw/zinc/90/68/60/567906860.db2.gz JVMXJQXEAZVYCI-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN CC1(C)c2ccccc2-c2c1cccc2Br ZINC000082048419 567906919 /nfs/dbraw/zinc/90/69/19/567906919.db2.gz SXOUNESKHJIXNK-UHFFFAOYSA-N 0 0 273.173 4.755 50 0 CJAARN Fc1c(Cl)ccc2ccc(-c3ccccc3)nc12 ZINC000082048819 567907016 /nfs/dbraw/zinc/90/70/16/567907016.db2.gz GNCMXJVMCJTOTE-UHFFFAOYSA-N 0 0 257.695 4.694 50 0 CJAARN Brc1cccc2ccc(-c3ccccc3)nc12 ZINC000082049635 567906870 /nfs/dbraw/zinc/90/68/70/567906870.db2.gz KORMPLQVNKCGIQ-UHFFFAOYSA-N 0 0 284.156 4.664 50 0 CJAARN Cc1cn(-c2c(C)cc(C)cc2C)c2nc(C)nc(Cl)c12 ZINC000082049713 567906971 /nfs/dbraw/zinc/90/69/71/567906971.db2.gz CGLDYVRQHDEHPG-UHFFFAOYSA-N 0 0 299.805 4.616 50 0 CJAARN CCC(=O)c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000083159483 178345264 /nfs/dbraw/zinc/34/52/64/178345264.db2.gz HAHFKNRUPALZAU-UHFFFAOYSA-N 0 0 274.747 4.512 50 0 CJAARN CC(C)c1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000083259983 178375999 /nfs/dbraw/zinc/37/59/99/178375999.db2.gz QNMXEIQDDQKHTR-UHFFFAOYSA-N 0 0 275.351 4.589 50 0 CJAARN CC(C)n1c(/C=C\c2ccccc2)nc2ccccc21 ZINC000083261391 566860124 /nfs/dbraw/zinc/86/01/24/566860124.db2.gz BZIWOGOCWWZXGQ-SEYXRHQNSA-N 0 0 262.356 4.788 50 0 CJAARN CC(C)(C)c1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000083261969 178375579 /nfs/dbraw/zinc/37/55/79/178375579.db2.gz LDVVLCORKHNFHI-UHFFFAOYSA-N 0 0 289.378 4.763 50 0 CJAARN CCCCc1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000083316264 178380607 /nfs/dbraw/zinc/38/06/07/178380607.db2.gz GKFOWSOJRKKUOS-UHFFFAOYSA-N 0 0 289.378 4.808 50 0 CJAARN C[C@@H]1C[C@H](C)Cc2[nH]c3c(cccc3Br)c21 ZINC000083728961 570368860 /nfs/dbraw/zinc/36/88/60/570368860.db2.gz DTNMHGZLRVVLFG-DTWKUNHWSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2[nH]c3c(cccc3Br)c2[C@H](C)C1 ZINC000083728963 570368768 /nfs/dbraw/zinc/36/87/68/570368768.db2.gz DTNMHGZLRVVLFG-RKDXNWHRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1Cc2[nH]c3c(cccc3Br)c2[C@@H](C)C1 ZINC000083728966 570368626 /nfs/dbraw/zinc/36/86/26/570368626.db2.gz DTNMHGZLRVVLFG-IUCAKERBSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2[nH]c3c(cccc3Br)c2[C@@H](C)C1 ZINC000083728968 570368988 /nfs/dbraw/zinc/36/89/88/570368988.db2.gz DTNMHGZLRVVLFG-BDAKNGLRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1C[C@H](C)Cc2[nH]c3ccc(Br)cc3c21 ZINC000083729009 567027360 /nfs/dbraw/zinc/02/73/60/567027360.db2.gz KEYAJXIJPKLVOM-DTWKUNHWSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2[nH]c3ccc(Br)cc3c2[C@H](C)C1 ZINC000083729011 567027146 /nfs/dbraw/zinc/02/71/46/567027146.db2.gz KEYAJXIJPKLVOM-RKDXNWHRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1Cc2[nH]c3ccc(Br)cc3c2[C@@H](C)C1 ZINC000083729013 567027466 /nfs/dbraw/zinc/02/74/66/567027466.db2.gz KEYAJXIJPKLVOM-IUCAKERBSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2[nH]c3ccc(Br)cc3c2[C@@H](C)C1 ZINC000083729015 567026947 /nfs/dbraw/zinc/02/69/47/567026947.db2.gz KEYAJXIJPKLVOM-BDAKNGLRSA-N 0 0 278.193 4.616 50 0 CJAARN Cc1c2ccccc2nc2c1C[C@H](c1ccc(O)cc1)CC2 ZINC000084068124 566878504 /nfs/dbraw/zinc/87/85/04/566878504.db2.gz OFYGIRBNCIKCSN-OAHLLOKOSA-N 0 0 289.378 4.521 50 0 CJAARN Cc1c2ccccc2nc2c1C[C@@H](c1ccc(O)cc1)CC2 ZINC000084068125 566877394 /nfs/dbraw/zinc/87/73/94/566877394.db2.gz OFYGIRBNCIKCSN-HNNXBMFYSA-N 0 0 289.378 4.521 50 0 CJAARN CC(C)(C)CC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000084169561 570336290 /nfs/dbraw/zinc/33/62/90/570336290.db2.gz KHTCWMBVKOCIJS-OAHLLOKOSA-N 0 0 279.449 4.532 50 0 CJAARN CC(C)(C)CC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000084169565 570336285 /nfs/dbraw/zinc/33/62/85/570336285.db2.gz KHTCWMBVKOCIJS-HNNXBMFYSA-N 0 0 279.449 4.532 50 0 CJAARN Cc1ccc(SCc2cnc(Cl)s2)cc1C ZINC000084180946 570336347 /nfs/dbraw/zinc/33/63/47/570336347.db2.gz CNQJCPYNXLNDJR-UHFFFAOYSA-N 0 0 269.822 4.706 50 0 CJAARN Cc1ccoc1CNc1ccccc1N1CCCCCC1 ZINC000084251209 570336911 /nfs/dbraw/zinc/33/69/11/570336911.db2.gz VTWURPDGTWSUIZ-UHFFFAOYSA-N 0 0 284.403 4.581 50 0 CJAARN Fc1cccc([C@@H]2CCCN2Cc2ccc(Cl)s2)c1 ZINC000084372343 566881651 /nfs/dbraw/zinc/88/16/51/566881651.db2.gz BXDXBEBCNXAXIG-AWEZNQCLSA-N 0 0 295.810 4.878 50 0 CJAARN Fc1cccc([C@H]2CCCN2Cc2ccc(Cl)s2)c1 ZINC000084372345 566882441 /nfs/dbraw/zinc/88/24/41/566882441.db2.gz BXDXBEBCNXAXIG-CQSZACIVSA-N 0 0 295.810 4.878 50 0 CJAARN c1ccc(CNc2ccccc2N2CCCCCC2)cc1 ZINC000084539328 566881247 /nfs/dbraw/zinc/88/12/47/566881247.db2.gz OTZAHUYZSYWNFK-UHFFFAOYSA-N 0 0 280.415 4.679 50 0 CJAARN c1ccc2oc(Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000084600451 566884137 /nfs/dbraw/zinc/88/41/37/566884137.db2.gz JMGPRYUFRIVMJL-UHFFFAOYSA-N 0 0 293.370 4.562 50 0 CJAARN S=C(Nc1ccc2ccccc2c1)NC1CCCCCC1 ZINC000084605941 566886047 /nfs/dbraw/zinc/88/60/47/566886047.db2.gz PGMXWNPYFCXRQK-UHFFFAOYSA-N 0 0 298.455 4.849 50 0 CJAARN C[C@H](Nc1nc(-c2ccsc2)nc2ccccc21)C1CC1 ZINC000084636420 566884447 /nfs/dbraw/zinc/88/44/47/566884447.db2.gz DIIAJAFGBNCTGM-NSHDSACASA-N 0 0 295.411 4.569 50 0 CJAARN C[C@@H]1CN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000084715183 566886493 /nfs/dbraw/zinc/88/64/93/566886493.db2.gz QUGMCJFYADNKNB-GFCCVEGCSA-N 0 0 296.395 4.527 50 0 CJAARN CCCC[C@@H](CC)C(=O)c1cc2c(s1)CSC2 ZINC000085223819 184606432 /nfs/dbraw/zinc/60/64/32/184606432.db2.gz QECXUUREYNIHHP-SNVBAGLBSA-N 0 0 268.447 4.894 50 0 CJAARN CCCC[C@H](CC)C(=O)c1cc2c(s1)CSC2 ZINC000085223821 567907215 /nfs/dbraw/zinc/90/72/15/567907215.db2.gz QECXUUREYNIHHP-JTQLQIEISA-N 0 0 268.447 4.894 50 0 CJAARN ClC(c1ccccc1)(c1ccccc1)c1cccnc1 ZINC000085367401 179037771 /nfs/dbraw/zinc/03/77/71/179037771.db2.gz ZZZRNCOCGNTJBG-UHFFFAOYSA-N 0 0 279.770 4.612 50 0 CJAARN Fc1ccc(-n2ccc3cc(N4CCCCC4)ccc32)cc1 ZINC000085389044 135036615 /nfs/dbraw/zinc/03/66/15/135036615.db2.gz MBMNECDVBDZDKY-UHFFFAOYSA-N 0 0 294.373 4.760 50 0 CJAARN Cn1ccnc1/C=C\C=C(c1ccccc1)c1ccccc1 ZINC000085406275 566893695 /nfs/dbraw/zinc/89/36/95/566893695.db2.gz BBDIKGHJQXDPAB-ZSOIEALJSA-N 0 0 286.378 4.565 50 0 CJAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000085423385 179059327 /nfs/dbraw/zinc/05/93/27/179059327.db2.gz GTJBEVRXRCURQB-JTQLQIEISA-N 0 0 294.181 4.736 50 0 CJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000085423388 179059029 /nfs/dbraw/zinc/05/90/29/179059029.db2.gz GTJBEVRXRCURQB-SNVBAGLBSA-N 0 0 294.181 4.736 50 0 CJAARN CC(C)c1ccccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000085423485 179059143 /nfs/dbraw/zinc/05/91/43/179059143.db2.gz DKNLELPDGORUCD-AWEZNQCLSA-N 0 0 267.372 4.552 50 0 CJAARN CC(C)c1ccccc1NC(=O)[C@H](C)c1ccccc1 ZINC000085423489 179059021 /nfs/dbraw/zinc/05/90/21/179059021.db2.gz DKNLELPDGORUCD-CQSZACIVSA-N 0 0 267.372 4.552 50 0 CJAARN CC(C)c1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000085423492 179059396 /nfs/dbraw/zinc/05/93/96/179059396.db2.gz FLZIDOOWIFXADG-AWEZNQCLSA-N 0 0 267.372 4.552 50 0 CJAARN CC(C)c1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 ZINC000085423495 179059320 /nfs/dbraw/zinc/05/93/20/179059320.db2.gz FLZIDOOWIFXADG-CQSZACIVSA-N 0 0 267.372 4.552 50 0 CJAARN C[C@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000085423510 179059051 /nfs/dbraw/zinc/05/90/51/179059051.db2.gz ZIJAGBRJZFGUJG-JTQLQIEISA-N 0 0 294.181 4.736 50 0 CJAARN C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000085423512 179059335 /nfs/dbraw/zinc/05/93/35/179059335.db2.gz ZIJAGBRJZFGUJG-SNVBAGLBSA-N 0 0 294.181 4.736 50 0 CJAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000085423515 179059168 /nfs/dbraw/zinc/05/91/68/179059168.db2.gz WCQIVJRSNIPYCX-JTQLQIEISA-N 0 0 294.181 4.736 50 0 CJAARN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000085423517 179059173 /nfs/dbraw/zinc/05/91/73/179059173.db2.gz WCQIVJRSNIPYCX-SNVBAGLBSA-N 0 0 294.181 4.736 50 0 CJAARN COc1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000085477211 179079399 /nfs/dbraw/zinc/07/93/99/179079399.db2.gz DZWVUJBVFSVBKU-UHFFFAOYSA-N 0 0 253.128 4.669 50 0 CJAARN CC(C)Oc1ccc(C(C)(C)C)cc1Br ZINC000085479170 179079701 /nfs/dbraw/zinc/07/97/01/179079701.db2.gz ZXANYEOPZSHZLJ-UHFFFAOYSA-N 0 0 271.198 4.534 50 0 CJAARN O=C(CCc1ccccc1)c1c(Cl)cccc1Cl ZINC000085651826 179110310 /nfs/dbraw/zinc/11/03/10/179110310.db2.gz LDYWKNYRHAYWKQ-UHFFFAOYSA-N 0 0 279.166 4.809 50 0 CJAARN CSc1ccc(CCC(=O)c2ccccc2C)cc1 ZINC000085651866 179110790 /nfs/dbraw/zinc/11/07/90/179110790.db2.gz UEPNVKKVSZNBBY-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN CSc1ccc(CCC(=O)c2cccc(C)c2)cc1 ZINC000085651868 179110484 /nfs/dbraw/zinc/11/04/84/179110484.db2.gz HZSMEWFOSVEYHX-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN CSc1ccc(CCC(=O)c2ccc(C)cc2)cc1 ZINC000085651870 179110671 /nfs/dbraw/zinc/11/06/71/179110671.db2.gz STLAFLNSHZKJOW-UHFFFAOYSA-N 0 0 270.397 4.532 50 0 CJAARN CSc1ccc(CCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000085651887 179110470 /nfs/dbraw/zinc/11/04/70/179110470.db2.gz NNUXCQQINHGJPJ-UHFFFAOYSA-N 0 0 284.424 4.841 50 0 CJAARN O=C(CCc1cccc(F)c1)c1c(Cl)cccc1Cl ZINC000085651989 179110563 /nfs/dbraw/zinc/11/05/63/179110563.db2.gz XKBQVJWZFPBGJT-UHFFFAOYSA-N 0 0 297.156 4.948 50 0 CJAARN O=C(CCc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000085651991 179110553 /nfs/dbraw/zinc/11/05/53/179110553.db2.gz KXUSCFNLJLEOJE-UHFFFAOYSA-N 0 0 297.156 4.948 50 0 CJAARN CCc1cccc(CC)c1-c1cc(Cl)nc(Cl)n1 ZINC000086033127 179220596 /nfs/dbraw/zinc/22/05/96/179220596.db2.gz ADQYXTNNXFOEBY-UHFFFAOYSA-N 0 0 281.186 4.575 50 0 CJAARN CC1(C)CCCc2c3cccc(Br)c3[nH]c21 ZINC000086851152 567034656 /nfs/dbraw/zinc/03/46/56/567034656.db2.gz QLCWUNPAEPTYHO-UHFFFAOYSA-N 0 0 278.193 4.544 50 0 CJAARN CC1(C)CCCc2c3cc(Br)ccc3[nH]c21 ZINC000086851153 567035011 /nfs/dbraw/zinc/03/50/11/567035011.db2.gz JUFHBFKNNVGXPV-UHFFFAOYSA-N 0 0 278.193 4.544 50 0 CJAARN Nc1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1 ZINC000089064484 179696074 /nfs/dbraw/zinc/69/60/74/179696074.db2.gz FJTDPAGDBFPWNU-UHFFFAOYSA-N 0 0 271.669 4.608 50 0 CJAARN Cc1n[nH]cc1-c1cc(-c2ccccc2)c2ccccc2n1 ZINC000089544565 179815248 /nfs/dbraw/zinc/81/52/48/179815248.db2.gz ACNGFBMRFAEHMM-UHFFFAOYSA-N 0 0 285.350 4.600 50 0 CJAARN Cc1cccc(-c2n[nH]cc2CNc2ccc(Cl)cc2)c1 ZINC000089677992 179845679 /nfs/dbraw/zinc/84/56/79/179845679.db2.gz ZPWKIPODWCYMLI-UHFFFAOYSA-N 0 0 297.789 4.651 50 0 CJAARN C[C@@H](c1ccc(Cl)cc1)N1CC=C(C(F)(F)F)CC1 ZINC000089904766 567029492 /nfs/dbraw/zinc/02/94/92/567029492.db2.gz RXPFNWTWPPOPQS-JTQLQIEISA-N 0 0 289.728 4.595 50 0 CJAARN C[C@H](c1ccc(Cl)cc1)N1CC=C(C(F)(F)F)CC1 ZINC000089904767 567030108 /nfs/dbraw/zinc/03/01/08/567030108.db2.gz RXPFNWTWPPOPQS-SNVBAGLBSA-N 0 0 289.728 4.595 50 0 CJAARN CC(C)(C)c1ccccc1Oc1ccc(Cl)cn1 ZINC000090345275 567907938 /nfs/dbraw/zinc/90/79/38/567907938.db2.gz RYZAOIWXQOVHOP-UHFFFAOYSA-N 0 0 261.752 4.825 50 0 CJAARN CCCOc1c(Cl)cc(Br)cc1Cl ZINC000090411444 567907731 /nfs/dbraw/zinc/90/77/31/567907731.db2.gz OVWDRIKGYAISCB-UHFFFAOYSA-N 0 0 283.980 4.545 50 0 CJAARN CCCCOc1c(Cl)cc(Br)cc1Cl ZINC000090411448 179982209 /nfs/dbraw/zinc/98/22/09/179982209.db2.gz JJTBAFFOGJDIEJ-UHFFFAOYSA-N 0 0 298.007 4.935 50 0 CJAARN Clc1ccc(-c2ccccc2Br)cc1 ZINC000090411855 179982269 /nfs/dbraw/zinc/98/22/69/179982269.db2.gz WSHZWUXRWQVZQP-UHFFFAOYSA-N 0 0 267.553 4.770 50 0 CJAARN CCCCOc1ccc(Cl)c(OCCCC)c1 ZINC000090447611 567908030 /nfs/dbraw/zinc/90/80/30/567908030.db2.gz OZXBRLDPAHDEKM-UHFFFAOYSA-N 0 0 256.773 4.698 50 0 CJAARN FC(F)(F)c1c(-c2ccccc2)cnn1-c1ccccc1 ZINC000090557445 567907901 /nfs/dbraw/zinc/90/79/01/567907901.db2.gz AJMKXTIAGKPWKK-UHFFFAOYSA-N 0 0 288.272 4.558 50 0 CJAARN FC(F)(F)c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000090557495 567907672 /nfs/dbraw/zinc/90/76/72/567907672.db2.gz NTFZDVDWIVFEEI-UHFFFAOYSA-N 0 0 263.473 4.532 50 0 CJAARN FC(F)(F)c1cc2[nH]cc(Cl)c2cc1Br ZINC000091293247 180124310 /nfs/dbraw/zinc/12/43/10/180124310.db2.gz SWTSRWZDZNHRAZ-UHFFFAOYSA-N 0 0 298.489 4.603 50 0 CJAARN O=C(CCCC1CCCCC1)c1ccncc1Cl ZINC000091677835 180225467 /nfs/dbraw/zinc/22/54/67/180225467.db2.gz KPIKVHKVRVPOFJ-UHFFFAOYSA-N 0 0 265.784 4.668 50 0 CJAARN CC(C)c1nsc(Oc2ccc(-c3ccccc3)nc2)n1 ZINC000092694560 566970080 /nfs/dbraw/zinc/97/00/80/566970080.db2.gz KQGVPVDXDHUCMD-UHFFFAOYSA-N 0 0 297.383 4.516 50 0 CJAARN c1cc(-c2ccccc2)oc1CNc1ccc2c(c1)COC2 ZINC000092854997 566971840 /nfs/dbraw/zinc/97/18/40/566971840.db2.gz FFDLWVMYGAQATD-UHFFFAOYSA-N 0 0 291.350 4.589 50 0 CJAARN Nc1cc(-c2nc3ccc(Cl)cc3s2)ccc1Cl ZINC000093428266 567908916 /nfs/dbraw/zinc/90/89/16/567908916.db2.gz PIQGTQZPDRVHJQ-UHFFFAOYSA-N 0 0 295.194 4.852 50 0 CJAARN COc1ccc(C=O)cc1COc1cc(C)ccc1C(C)C ZINC000095098621 567908976 /nfs/dbraw/zinc/90/89/76/567908976.db2.gz PFDXZLSTDBAMIU-UHFFFAOYSA-N 0 0 298.382 4.519 50 0 CJAARN Cc1[nH]nc2nc3cc(Cl)ccc3c(-c3ccccc3)c12 ZINC000095116098 567127986 /nfs/dbraw/zinc/12/79/86/567127986.db2.gz OXLDWZHLPJWPSN-UHFFFAOYSA-N 0 0 293.757 4.740 50 0 CJAARN Clc1nc2scc(-c3cccs3)c2c(Cl)n1 ZINC000095117774 567909099 /nfs/dbraw/zinc/90/90/99/567909099.db2.gz CULKNUZFOKJBKR-UHFFFAOYSA-N 0 0 287.196 4.727 50 0 CJAARN Cc1cc(C(=O)c2ccc(Cl)c(C)c2)ccc1Cl ZINC000095215248 184946939 /nfs/dbraw/zinc/94/69/39/184946939.db2.gz PXKDPCGJFUNRFJ-UHFFFAOYSA-N 0 0 279.166 4.841 50 0 CJAARN FC(F)(Cl)Oc1cc(Cl)c(Cl)cc1Cl ZINC000095215450 567909014 /nfs/dbraw/zinc/90/90/14/567909014.db2.gz VUNBCERVTSIDQK-UHFFFAOYSA-N 0 0 281.900 4.815 50 0 CJAARN Fc1ccc(OC(Cl)(Cl)Cl)cc1C(F)(F)F ZINC000095215464 567909020 /nfs/dbraw/zinc/90/90/20/567909020.db2.gz TXSZERQPHBQUGY-UHFFFAOYSA-N 0 0 297.462 4.551 50 0 CJAARN FC(F)(F)Oc1cc(Cl)c(Cl)cc1Cl ZINC000095215467 567909004 /nfs/dbraw/zinc/90/90/04/567909004.db2.gz ORYLMIPDUIQKAO-UHFFFAOYSA-N 0 0 265.445 4.545 50 0 CJAARN Fc1c(OC(Cl)(Cl)Cl)cccc1C(F)(F)F ZINC000095215537 567909201 /nfs/dbraw/zinc/90/92/01/567909201.db2.gz POTZECKZZNOUKI-UHFFFAOYSA-N 0 0 297.462 4.551 50 0 CJAARN FC(F)(Cl)Oc1cc(C(F)(F)F)ccc1Cl ZINC000095215575 567909007 /nfs/dbraw/zinc/90/90/07/567909007.db2.gz BWELQYHSMPTKKY-UHFFFAOYSA-N 0 0 281.007 4.527 50 0 CJAARN Fc1ccc(C(F)(F)F)cc1OC(Cl)(Cl)Cl ZINC000095215602 184947724 /nfs/dbraw/zinc/94/77/24/184947724.db2.gz DIGBDELOATWQEK-UHFFFAOYSA-N 0 0 297.462 4.551 50 0 CJAARN FC(F)(Cl)Oc1ccc(C(F)(F)F)cc1Cl ZINC000095215637 567909177 /nfs/dbraw/zinc/90/91/77/567909177.db2.gz YCLYCFHEASXBQK-UHFFFAOYSA-N 0 0 281.007 4.527 50 0 CJAARN Fc1cc(OC(Cl)(Cl)Cl)cc(C(F)(F)F)c1 ZINC000095215666 567909003 /nfs/dbraw/zinc/90/90/03/567909003.db2.gz YTXJJJNOCXPAHL-UHFFFAOYSA-N 0 0 297.462 4.551 50 0 CJAARN FC(F)(Cl)Oc1cccc(C(F)(F)F)c1Cl ZINC000095215699 184947384 /nfs/dbraw/zinc/94/73/84/184947384.db2.gz JFJZMZWJFDJMJB-UHFFFAOYSA-N 0 0 281.007 4.527 50 0 CJAARN Fc1cc(Cl)c(OC(Cl)(Cl)Cl)c(Cl)c1 ZINC000095215722 184947499 /nfs/dbraw/zinc/94/74/99/184947499.db2.gz WTTACXODBXFDAP-UHFFFAOYSA-N 0 0 298.355 4.839 50 0 CJAARN FC(F)(Cl)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095215760 184947125 /nfs/dbraw/zinc/94/71/25/184947125.db2.gz BZEDYFAUYCXARX-UHFFFAOYSA-N 0 0 281.007 4.527 50 0 CJAARN Clc1cccc(OCc2ccccc2)c1Br ZINC000095218047 184947721 /nfs/dbraw/zinc/94/77/21/184947721.db2.gz PYMNALXACCNYEN-UHFFFAOYSA-N 0 0 297.579 4.682 50 0 CJAARN Brc1ccc2sc(-c3cccs3)nc2c1 ZINC000095352970 567127567 /nfs/dbraw/zinc/12/75/67/567127567.db2.gz MSRSCHWGENXZPO-UHFFFAOYSA-N 0 0 296.214 4.787 50 0 CJAARN Cc1c2ccccc2nc2c1CSc1ccc(F)cc1-2 ZINC000095408518 567893624 /nfs/dbraw/zinc/89/36/24/567893624.db2.gz WXBIMPRNDGTVGY-UHFFFAOYSA-N 0 0 281.355 4.955 50 0 CJAARN CC(C)c1ocnc1COc1ccc(Cl)c(Cl)c1 ZINC000095457489 184992673 /nfs/dbraw/zinc/99/26/73/184992673.db2.gz LXRZBYLDTROHLS-UHFFFAOYSA-N 0 0 286.158 4.684 50 0 CJAARN Cc1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@@H]32)cc1 ZINC000095457587 567133375 /nfs/dbraw/zinc/13/33/75/567133375.db2.gz KMHVSCYIUYAYMU-WBVHZDCISA-N 0 0 286.419 4.572 50 0 CJAARN Cc1ccc(NC(=O)N2CCCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000095457588 567133270 /nfs/dbraw/zinc/13/32/70/567133270.db2.gz KMHVSCYIUYAYMU-RDJZCZTQSA-N 0 0 286.419 4.572 50 0 CJAARN Cc1ccc(NC(=O)N2CCCC[C@H]3CCCC[C@H]32)cc1 ZINC000095457589 567134458 /nfs/dbraw/zinc/13/44/58/567134458.db2.gz KMHVSCYIUYAYMU-NVXWUHKLSA-N 0 0 286.419 4.572 50 0 CJAARN Cc1ccc(NC(=O)N2CCCC[C@@H]3CCCC[C@H]32)cc1 ZINC000095457590 184992129 /nfs/dbraw/zinc/99/21/29/184992129.db2.gz KMHVSCYIUYAYMU-DOTOQJQBSA-N 0 0 286.419 4.572 50 0 CJAARN Cc1ccsc1-c1nc(-c2c[nH]c3ncccc23)cs1 ZINC000095462133 567134603 /nfs/dbraw/zinc/13/46/03/567134603.db2.gz ZVJCYZDJFJZRFK-UHFFFAOYSA-N 0 0 297.408 4.723 50 0 CJAARN Cc1c(NC(=O)C(C)(C)C)ccc(Cl)c1C(F)(F)F ZINC000095469480 567909389 /nfs/dbraw/zinc/90/93/89/567909389.db2.gz DOTFDVJUHLEXJF-UHFFFAOYSA-N 0 0 293.716 4.652 50 0 CJAARN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000095470989 184996449 /nfs/dbraw/zinc/99/64/49/184996449.db2.gz XYDNEAMYTZYMNU-JTQLQIEISA-N 0 0 294.181 4.736 50 0 CJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000095470990 567909319 /nfs/dbraw/zinc/90/93/19/567909319.db2.gz XYDNEAMYTZYMNU-SNVBAGLBSA-N 0 0 294.181 4.736 50 0 CJAARN CCCCOc1cc(C(F)(F)F)ccc1Br ZINC000095495704 184998921 /nfs/dbraw/zinc/99/89/21/184998921.db2.gz AHYDJHQOBPJIEO-UHFFFAOYSA-N 0 0 297.114 4.647 50 0 CJAARN Clc1cc(Cl)cc(C(Cl)(Cl)Cl)c1 ZINC000095495781 567909593 /nfs/dbraw/zinc/90/95/93/567909593.db2.gz DHTRCEKKRKYZSP-UHFFFAOYSA-N 0 0 264.366 4.820 50 0 CJAARN CC(C)c1ccccc1NC(=O)Nc1ccc(F)cc1 ZINC000095535211 185008335 /nfs/dbraw/zinc/00/83/35/185008335.db2.gz HOWLUMLVTBWLAE-UHFFFAOYSA-N 0 0 272.323 4.593 50 0 CJAARN CC1(C)OC(C)(C)c2ccccc2-c2ccccc21 ZINC000095611687 185016054 /nfs/dbraw/zinc/01/60/54/185016054.db2.gz QOQPPDCDSCBFNP-UHFFFAOYSA-N 0 0 252.357 4.854 50 0 CJAARN FC(F)(F)c1cccc2cccc(Br)c21 ZINC000095611730 185016260 /nfs/dbraw/zinc/01/62/60/185016260.db2.gz KTNBHVJATYODNK-UHFFFAOYSA-N 0 0 275.067 4.621 50 0 CJAARN FC(F)(F)c1cc2ccccc2cc1Br ZINC000095611742 185016221 /nfs/dbraw/zinc/01/62/21/185016221.db2.gz PGYLHJGLJXALFO-UHFFFAOYSA-N 0 0 275.067 4.621 50 0 CJAARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(C=O)cc21 ZINC000095618991 567909382 /nfs/dbraw/zinc/90/93/82/567909382.db2.gz PLIKXGIAKMCMAO-UHFFFAOYSA-N 0 0 291.394 4.701 50 0 CJAARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C=O)cc21 ZINC000095618992 567909387 /nfs/dbraw/zinc/90/93/87/567909387.db2.gz SPNKCWVIGABWLS-OAHLLOKOSA-N 0 0 293.410 4.792 50 0 CJAARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C=O)cc21 ZINC000095618993 567909424 /nfs/dbraw/zinc/90/94/24/567909424.db2.gz SPNKCWVIGABWLS-HNNXBMFYSA-N 0 0 293.410 4.792 50 0 CJAARN Clc1cccc(Cl)c1-c1nc2ccnc(Cl)c2[nH]1 ZINC000095698510 185017961 /nfs/dbraw/zinc/01/79/61/185017961.db2.gz GRYGSZXZKABJEG-UHFFFAOYSA-N 0 0 298.560 4.585 50 0 CJAARN Clc1cccc(Cl)c1-c1nc2ccncc2s1 ZINC000095698517 185017974 /nfs/dbraw/zinc/01/79/74/185017974.db2.gz WYEYRTQOAPZITC-UHFFFAOYSA-N 0 0 281.167 4.665 50 0 CJAARN FC(F)(F)c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000095733766 185022991 /nfs/dbraw/zinc/02/29/91/185022991.db2.gz QJTDJXSMDQRQJG-UHFFFAOYSA-N 0 0 286.680 4.938 50 0 CJAARN CCCCOc1cc(C(F)(F)F)ccc1Cl ZINC000095738581 185024170 /nfs/dbraw/zinc/02/41/70/185024170.db2.gz IXJBZOUVTMNWAY-UHFFFAOYSA-N 0 0 252.663 4.538 50 0 CJAARN CCCCOc1ccc(C(F)(F)F)cc1Cl ZINC000095738591 185024066 /nfs/dbraw/zinc/02/40/66/185024066.db2.gz AXAOABXSRMSMAV-UHFFFAOYSA-N 0 0 252.663 4.538 50 0 CJAARN C[C@@]12CCC[C@@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2 ZINC000095932015 567090400 /nfs/dbraw/zinc/09/04/00/567090400.db2.gz LYFPAZBMEUSVNA-XEZGLNCPSA-N 0 0 274.448 4.700 50 0 CJAARN Cc1nc(S[C@@H](C)c2ncc(C(C)(C)C)o2)sc1C ZINC000095963248 185044989 /nfs/dbraw/zinc/04/49/89/185044989.db2.gz VFHMPOLDXXAWNH-JTQLQIEISA-N 0 0 296.461 4.899 50 0 CJAARN Cc1nc(S[C@H](C)c2ncc(C(C)(C)C)o2)sc1C ZINC000095963249 185044773 /nfs/dbraw/zinc/04/47/73/185044773.db2.gz VFHMPOLDXXAWNH-SNVBAGLBSA-N 0 0 296.461 4.899 50 0 CJAARN CC(C)(C)c1ccccc1NCc1cnoc1-c1ccco1 ZINC000095973623 185050137 /nfs/dbraw/zinc/05/01/37/185050137.db2.gz SGHRRWGVMSUTAY-UHFFFAOYSA-N 0 0 296.370 4.844 50 0 CJAARN CC(=O)Nc1cc(NCC2(C)CCCCCC2)ccc1F ZINC000096002073 185062023 /nfs/dbraw/zinc/06/20/23/185062023.db2.gz GISRNBUKTGCLMO-UHFFFAOYSA-N 0 0 292.398 4.557 50 0 CJAARN Cc1ccc(C)c(CS[C@@H](C)c2nccs2)c1 ZINC000096010431 185065104 /nfs/dbraw/zinc/06/51/04/185065104.db2.gz PUTKCDBWJAZHTQ-LBPRGKRZSA-N 0 0 263.431 4.754 50 0 CJAARN Cc1ccc(C)c(CS[C@H](C)c2nccs2)c1 ZINC000096010432 185064769 /nfs/dbraw/zinc/06/47/69/185064769.db2.gz PUTKCDBWJAZHTQ-GFCCVEGCSA-N 0 0 263.431 4.754 50 0 CJAARN CCCCCc1ccc(NC(=O)N2CCC=C(F)C2)cc1 ZINC000096013178 185066057 /nfs/dbraw/zinc/06/60/57/185066057.db2.gz AAXBTLNDUAYUAR-UHFFFAOYSA-N 0 0 290.382 4.510 50 0 CJAARN CSCO[C@H]1C[C@@H](CC=C(C)C)C(=O)c2ccccc21 ZINC000096023839 567914938 /nfs/dbraw/zinc/91/49/38/567914938.db2.gz DSZNGOTWXBHXNT-CJNGLKHVSA-N 0 0 290.428 4.624 50 0 CJAARN CC1(C)CCC[C@]2(C)[C@H]3COC(C)(C)OCC3=CC[C@@H]12 ZINC000096023897 185066938 /nfs/dbraw/zinc/06/69/38/185066938.db2.gz GTTSZASHZJQOCB-RLFYNMQTSA-N 0 0 278.436 4.548 50 0 CJAARN FC(F)(F)c1ccc2cc(Br)ccc2c1 ZINC000096024738 185066631 /nfs/dbraw/zinc/06/66/31/185066631.db2.gz QAPILDOVQQYRIG-UHFFFAOYSA-N 0 0 275.067 4.621 50 0 CJAARN CCn1c2ccccc2c2cc(-c3csc(N)n3)ccc21 ZINC000096026304 185067341 /nfs/dbraw/zinc/06/73/41/185067341.db2.gz QQISJRKKAVPFRX-UHFFFAOYSA-N 0 0 293.395 4.520 50 0 CJAARN Clc1ccccc1OCCCCCCc1ccncc1 ZINC000096027067 567138069 /nfs/dbraw/zinc/13/80/69/567138069.db2.gz KDKCONHLBOHVKY-UHFFFAOYSA-N 0 0 289.806 4.917 50 0 CJAARN c1ccc(CCCCc2ccnc3ccccc23)cc1 ZINC000096027131 567138596 /nfs/dbraw/zinc/13/85/96/567138596.db2.gz ZZMZTMZCMSZAQA-UHFFFAOYSA-N 0 0 261.368 4.800 50 0 CJAARN c1ccc(-c2[nH]c3ccccc3c2-c2cccnc2)cc1 ZINC000096027864 567138618 /nfs/dbraw/zinc/13/86/18/567138618.db2.gz WLXDOJVMPZWEAI-UHFFFAOYSA-N 0 0 270.335 4.897 50 0 CJAARN Fc1cccc(Cl)c1-c1nc2ccnc(Cl)c2s1 ZINC000096029303 567909883 /nfs/dbraw/zinc/90/98/83/567909883.db2.gz QOXZAMDPXZHSAT-UHFFFAOYSA-N 0 0 299.157 4.804 50 0 CJAARN O=C(/C=C\c1ccsc1)Oc1ccc2ccccc2c1 ZINC000096032394 185067702 /nfs/dbraw/zinc/06/77/02/185067702.db2.gz BUJOKWNKXZOVGR-YVMONPNESA-N 0 0 280.348 4.520 50 0 CJAARN CC(=C\c1ccccc1)/C=C\c1nc2ccccc2o1 ZINC000096032901 185068254 /nfs/dbraw/zinc/06/82/54/185068254.db2.gz HHRCASWZDFQQAJ-RCWDKCQFSA-N 0 0 261.324 4.945 50 0 CJAARN CC(/C=C\c1nc2ccccc2o1)=C/c1ccccc1 ZINC000096032902 185068591 /nfs/dbraw/zinc/06/85/91/185068591.db2.gz HHRCASWZDFQQAJ-OSZYEJKESA-N 0 0 261.324 4.945 50 0 CJAARN CC(/C=C/c1nc2ccccc2o1)=C\c1ccccc1 ZINC000096032903 185068606 /nfs/dbraw/zinc/06/86/06/185068606.db2.gz HHRCASWZDFQQAJ-LDHFCIDVSA-N 0 0 261.324 4.945 50 0 CJAARN O=Cc1c(Cl)cccc1Oc1ccc(F)c(Cl)c1 ZINC000096034488 185068206 /nfs/dbraw/zinc/06/82/06/185068206.db2.gz DXPOXQILPQLYTP-UHFFFAOYSA-N 0 0 285.101 4.737 50 0 CJAARN COc1ccc2nc(/C=C\c3ccc(F)cc3)sc2c1 ZINC000096035496 185069461 /nfs/dbraw/zinc/06/94/61/185069461.db2.gz PQSUNCRBBFFGIC-WTKPLQERSA-N 0 0 285.343 4.614 50 0 CJAARN Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2sc(N)nc21 ZINC000096113687 185101682 /nfs/dbraw/zinc/10/16/82/185101682.db2.gz XQVPTNGYPZVQNH-UHFFFAOYSA-N 0 0 298.455 4.655 50 0 CJAARN Oc1ccc2occ(-c3cc4ccccc4o3)c2c1 ZINC000096116470 185100973 /nfs/dbraw/zinc/10/09/73/185100973.db2.gz QWGZAOCCMUUOFT-UHFFFAOYSA-N 0 0 250.253 4.552 50 0 CJAARN Oc1ccc2occ(-c3ccc(Br)s3)c2c1 ZINC000096118849 185102210 /nfs/dbraw/zinc/10/22/10/185102210.db2.gz WIQJMIGHDUOLIR-UHFFFAOYSA-N 0 0 295.157 4.629 50 0 CJAARN Cc1sccc1-c1csc(NCc2ccccc2)n1 ZINC000096124452 185103705 /nfs/dbraw/zinc/10/37/05/185103705.db2.gz KKZIUHUOUJRAQJ-UHFFFAOYSA-N 0 0 286.425 4.792 50 0 CJAARN Cc1scc(-c2csc(Nc3cccnc3)n2)c1C ZINC000096124455 185103579 /nfs/dbraw/zinc/10/35/79/185103579.db2.gz NCEIJEZXLLPCDP-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN Cc1csc(-c2csc(Nc3cnccc3C)n2)c1 ZINC000096124458 185103939 /nfs/dbraw/zinc/10/39/39/185103939.db2.gz VAIYRBUCFDCUGU-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN Cc1csc(-c2csc(Nc3ncccc3C)n2)c1 ZINC000096124459 185103652 /nfs/dbraw/zinc/10/36/52/185103652.db2.gz AIEFJOKTTIQDKE-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN Cc1csc(-c2csc(NCc3ccccc3)n2)c1 ZINC000096124462 185103690 /nfs/dbraw/zinc/10/36/90/185103690.db2.gz MZBARJOFDRIOCW-UHFFFAOYSA-N 0 0 286.425 4.792 50 0 CJAARN Cc1ccc(-c2csc(Nc3cnccc3C)n2)s1 ZINC000096124464 185103942 /nfs/dbraw/zinc/10/39/42/185103942.db2.gz FDJUISBAGBBWRA-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN Cc1ccc(-c2csc(Nc3ncccc3C)n2)s1 ZINC000096124465 185103707 /nfs/dbraw/zinc/10/37/07/185103707.db2.gz DCMWZAGGBMMWBE-UHFFFAOYSA-N 0 0 287.413 4.627 50 0 CJAARN Cc1ccc(-c2csc(NCc3ccccc3)n2)s1 ZINC000096124467 185104075 /nfs/dbraw/zinc/10/40/75/185104075.db2.gz FOPSMQSAKIKQHU-UHFFFAOYSA-N 0 0 286.425 4.792 50 0 CJAARN Cc1cc(-c2csc(NCc3ccccc3)n2)c(C)o1 ZINC000096124490 185103670 /nfs/dbraw/zinc/10/36/70/185103670.db2.gz HBYXHFZKOXBCTL-UHFFFAOYSA-N 0 0 284.384 4.632 50 0 CJAARN COc1ccc(-c2ccc(Cl)s2)c2cccnc12 ZINC000096140567 185105550 /nfs/dbraw/zinc/10/55/50/185105550.db2.gz ZFDLKZHEDRJZMM-UHFFFAOYSA-N 0 0 275.760 4.625 50 0 CJAARN O=C(c1ccc(-c2cccc3cccnc32)cc1F)C1CC1 ZINC000096152829 567909682 /nfs/dbraw/zinc/90/96/82/567909682.db2.gz NYTFMCGTTSJGOS-UHFFFAOYSA-N 0 0 291.325 4.634 50 0 CJAARN CO[C@H](C)c1ccc(-c2cnc(C(C)C)s2)cc1 ZINC000096159908 567909759 /nfs/dbraw/zinc/90/97/59/567909759.db2.gz UYNPRUWDDAHHSH-LLVKDONJSA-N 0 0 261.390 4.641 50 0 CJAARN CO[C@@H](C)c1ccc(-c2cnc(C(C)C)s2)cc1 ZINC000096159910 567909891 /nfs/dbraw/zinc/90/98/91/567909891.db2.gz UYNPRUWDDAHHSH-NSHDSACASA-N 0 0 261.390 4.641 50 0 CJAARN Cc1ccc(NC(=O)c2cccc3c2CCCC3)c(Cl)c1 ZINC000096171148 567909879 /nfs/dbraw/zinc/90/98/79/567909879.db2.gz PIOHPKDRWHCJPX-UHFFFAOYSA-N 0 0 299.801 4.780 50 0 CJAARN Cc1ccc(NC(=O)c2cccc3c2CCCC3)cc1Cl ZINC000096171181 567909915 /nfs/dbraw/zinc/90/99/15/567909915.db2.gz SSGWEWUSPQTATF-UHFFFAOYSA-N 0 0 299.801 4.780 50 0 CJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc2c1CCCC2 ZINC000096171275 567909866 /nfs/dbraw/zinc/90/98/66/567909866.db2.gz IDTIYRHYJLMFGM-UHFFFAOYSA-N 0 0 299.801 4.780 50 0 CJAARN Cc1cc(NC(=O)c2cccc3c2CCCC3)ccc1Cl ZINC000096171301 567909662 /nfs/dbraw/zinc/90/96/62/567909662.db2.gz KWXMFVJGUBBXMR-UHFFFAOYSA-N 0 0 299.801 4.780 50 0 CJAARN FC(F)(F)c1cccc2ccc(Br)cc21 ZINC000096171596 567138848 /nfs/dbraw/zinc/13/88/48/567138848.db2.gz IELQTXLICZONOU-UHFFFAOYSA-N 0 0 275.067 4.621 50 0 CJAARN CC1(C)OC(C)(C)c2cc(-c3ccccc3C=O)ccc21 ZINC000096171658 567909950 /nfs/dbraw/zinc/90/99/50/567909950.db2.gz QAGCKTKOIJWOET-UHFFFAOYSA-N 0 0 280.367 4.667 50 0 CJAARN CC(=O)c1cc2c(cc1F)C(C)(C)C(C)(C)C2(C)C ZINC000096171776 567909853 /nfs/dbraw/zinc/90/98/53/567909853.db2.gz UHKLRZJDVCVGJB-UHFFFAOYSA-N 0 0 262.368 4.623 50 0 CJAARN Cc1cc(=O)oc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000096171823 570274351 /nfs/dbraw/zinc/27/43/51/570274351.db2.gz YUTKVEZQMFOCNB-UHFFFAOYSA-N 0 0 272.388 4.696 50 0 CJAARN CC(C)(C)c1cc2cc(F)c(=O)oc2c(C(C)(C)C)c1 ZINC000096171824 567909688 /nfs/dbraw/zinc/90/96/88/567909688.db2.gz MZGONVAJMLJVGZ-UHFFFAOYSA-N 0 0 276.351 4.527 50 0 CJAARN C[C@@H]1CC(=O)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000096171827 567909659 /nfs/dbraw/zinc/90/96/59/567909659.db2.gz NFQHWKSUWRLWKH-LLVKDONJSA-N 0 0 274.404 4.694 50 0 CJAARN C[C@H]1CC(=O)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000096171828 256887246 /nfs/dbraw/zinc/88/72/46/256887246.db2.gz NFQHWKSUWRLWKH-NSHDSACASA-N 0 0 274.404 4.694 50 0 CJAARN CCc1cc(=O)oc2c1cc(C(C)(C)C)cc2C(C)(C)C ZINC000096171829 567909837 /nfs/dbraw/zinc/90/98/37/567909837.db2.gz VSVACBJWZFAOQN-UHFFFAOYSA-N 0 0 286.415 4.950 50 0 CJAARN Cc1cc2cc(C(C)(C)C)cc(C(C)(C)C)c2oc1=O ZINC000096171835 256886944 /nfs/dbraw/zinc/88/69/44/256886944.db2.gz VPDUYLYXGQCQQR-UHFFFAOYSA-N 0 0 272.388 4.696 50 0 CJAARN OCc1ccc(-c2ccccc2)c(F)c1-c1ccccc1 ZINC000096171905 567909931 /nfs/dbraw/zinc/90/99/31/567909931.db2.gz YGKKOAODBRGNQT-UHFFFAOYSA-N 0 0 278.326 4.652 50 0 CJAARN FC(F)(F)c1cc(Br)c(Cl)cc1Cl ZINC000096171915 256886934 /nfs/dbraw/zinc/88/69/34/256886934.db2.gz PZQYDFVUPWMHNC-UHFFFAOYSA-N 0 0 293.897 4.775 50 0 CJAARN FC(F)(F)c1ccc(Cl)c(Br)c1Cl ZINC000096171916 567909956 /nfs/dbraw/zinc/90/99/56/567909956.db2.gz UQYVMQFUNZXYEK-UHFFFAOYSA-N 0 0 293.897 4.775 50 0 CJAARN CC1(C)CCN(C(=O)CCC2CCCC2)c2ccccc21 ZINC000096193030 567140611 /nfs/dbraw/zinc/14/06/11/567140611.db2.gz JBNKEVUPWPDSNJ-UHFFFAOYSA-N 0 0 285.431 4.671 50 0 CJAARN FC(F)(F)c1cnc(Sc2ccccc2)c(Cl)c1 ZINC000096196304 567910148 /nfs/dbraw/zinc/91/01/48/567910148.db2.gz STPADWRNLPKPIE-UHFFFAOYSA-N 0 0 289.709 4.905 50 0 CJAARN Oc1ccc2occ(-c3ccc4ccccc4c3)c2c1 ZINC000096232729 567910147 /nfs/dbraw/zinc/91/01/47/567910147.db2.gz SDRXEYFQEMYFRA-UHFFFAOYSA-N 0 0 260.292 4.959 50 0 CJAARN CCc1nc(NCC(C)C)c2cc(Cl)cc(Cl)c2n1 ZINC000096289023 567141039 /nfs/dbraw/zinc/14/10/39/567141039.db2.gz SBVSWZAMWZNMDK-UHFFFAOYSA-N 0 0 298.217 4.567 50 0 CJAARN C/C=C\c1ccc(Oc2nc3ccccc3o2)c(OC)c1 ZINC000096308206 567140131 /nfs/dbraw/zinc/14/01/31/567140131.db2.gz GAYNSUUYCNIOIK-UTCJRWHESA-N 0 0 281.311 4.662 50 0 CJAARN CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1N ZINC000096316023 567909995 /nfs/dbraw/zinc/90/99/95/567909995.db2.gz REMPVOBRLBVHTA-UHFFFAOYSA-N 0 0 284.241 4.626 50 0 CJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000096319162 567910171 /nfs/dbraw/zinc/91/01/71/567910171.db2.gz TVECBOXNVASATC-CABCVRRESA-N 0 0 281.399 4.942 50 0 CJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000096319163 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/nfs/dbraw/zinc/36/80/22/570368022.db2.gz AAMIKUZHKRWNLQ-DTWKUNHWSA-N 0 0 278.193 4.931 50 0 CJAARN C[C@H]1CC[C@H](C)c2c3cc(Br)ccc3[nH]c21 ZINC000675075548 570368031 /nfs/dbraw/zinc/36/80/31/570368031.db2.gz AAMIKUZHKRWNLQ-IUCAKERBSA-N 0 0 278.193 4.931 50 0 CJAARN C[C@@H]1CC[C@@H](C)c2c3cc(Br)ccc3[nH]c21 ZINC000675075549 570368149 /nfs/dbraw/zinc/36/81/49/570368149.db2.gz AAMIKUZHKRWNLQ-RKDXNWHRSA-N 0 0 278.193 4.931 50 0 CJAARN CC[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675075596 570368015 /nfs/dbraw/zinc/36/80/15/570368015.db2.gz CABXLSNZWVTBLS-SECBINFHSA-N 0 0 278.193 4.760 50 0 CJAARN CC[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675075604 570368061 /nfs/dbraw/zinc/36/80/61/570368061.db2.gz CABXLSNZWVTBLS-VIFPVBQESA-N 0 0 278.193 4.760 50 0 CJAARN CC[C@@H]1CCCc2c3cccc(Br)c3[nH]c21 ZINC000675076011 570368497 /nfs/dbraw/zinc/36/84/97/570368497.db2.gz IEUCHUKKIVRUHX-SECBINFHSA-N 0 0 278.193 4.760 50 0 CJAARN CC[C@H]1CCCc2c3cccc(Br)c3[nH]c21 ZINC000675076012 570368465 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567025973 /nfs/dbraw/zinc/02/59/73/567025973.db2.gz OBAFIZYQCXWAOS-DTWKUNHWSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1Cc2c3cccc(Br)c3[nH]c2[C@@H](C)C1 ZINC000675076480 567025838 /nfs/dbraw/zinc/02/58/38/567025838.db2.gz OBAFIZYQCXWAOS-IUCAKERBSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2c3cccc(Br)c3[nH]c2[C@H](C)C1 ZINC000675076481 567025979 /nfs/dbraw/zinc/02/59/79/567025979.db2.gz OBAFIZYQCXWAOS-RKDXNWHRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2c3cc(Br)ccc3[nH]c2[C@@H](C)C1 ZINC000675076693 567025836 /nfs/dbraw/zinc/02/58/36/567025836.db2.gz QEVLEZMLEQNQMN-BDAKNGLRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1C[C@H](C)Cc2c3cc(Br)ccc3[nH]c21 ZINC000675076694 567025990 /nfs/dbraw/zinc/02/59/90/567025990.db2.gz QEVLEZMLEQNQMN-DTWKUNHWSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1Cc2c3cc(Br)ccc3[nH]c2[C@@H](C)C1 ZINC000675076695 567025772 /nfs/dbraw/zinc/02/57/72/567025772.db2.gz QEVLEZMLEQNQMN-IUCAKERBSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@H]1Cc2c3cc(Br)ccc3[nH]c2[C@H](C)C1 ZINC000675076731 567025530 /nfs/dbraw/zinc/02/55/30/567025530.db2.gz QEVLEZMLEQNQMN-RKDXNWHRSA-N 0 0 278.193 4.616 50 0 CJAARN C[C@@H]1CCCc2c1[nH]c1c2c(F)ccc1Br ZINC000675076966 567026130 /nfs/dbraw/zinc/02/61/30/567026130.db2.gz VDERNZCJFSSIRT-SSDOTTSWSA-N 0 0 282.156 4.509 50 0 CJAARN C[C@H]1CCCc2c1[nH]c1c2c(F)ccc1Br ZINC000675076967 567025742 /nfs/dbraw/zinc/02/57/42/567025742.db2.gz VDERNZCJFSSIRT-ZETCQYMHSA-N 0 0 282.156 4.509 50 0 CJAARN C[C@@H]1CCCc2c3cc(F)cc(Br)c3[nH]c21 ZINC000675077129 567026125 /nfs/dbraw/zinc/02/61/25/567026125.db2.gz YIXWUKJICRTFDZ-SSDOTTSWSA-N 0 0 282.156 4.509 50 0 CJAARN C[C@H]1CCCc2c3cc(F)cc(Br)c3[nH]c21 ZINC000675077130 567026109 /nfs/dbraw/zinc/02/61/09/567026109.db2.gz YIXWUKJICRTFDZ-ZETCQYMHSA-N 0 0 282.156 4.509 50 0 CJAARN Fc1ccc(-c2cccc(C(F)(F)F)c2)c2cc[nH]c21 ZINC000685942064 570318399 /nfs/dbraw/zinc/31/83/99/570318399.db2.gz CHHZPMSQJWRZTA-UHFFFAOYSA-N 0 0 279.236 4.993 50 0 CJAARN C[Si](C)(C)CCSCc1cccc(Cl)c1 ZINC000725244757 567908263 /nfs/dbraw/zinc/90/82/63/567908263.db2.gz AVKXFKZOGDBEJX-UHFFFAOYSA-N 0 0 258.890 4.911 50 0 CJAARN CSc1ccc(CSCC[Si](C)(C)C)cc1 ZINC000725244777 567908171 /nfs/dbraw/zinc/90/81/71/567908171.db2.gz BDZXLMGAZYMZKG-UHFFFAOYSA-N 0 0 270.539 4.980 50 0 CJAARN Cc1ccc(CSCC[Si](C)(C)C)cc1C ZINC000725245424 567908172 /nfs/dbraw/zinc/90/81/72/567908172.db2.gz HZFKCXXPNUGVKY-UHFFFAOYSA-N 0 0 252.499 4.875 50 0 CJAARN Cc1ccc(C)c(CSCC[Si](C)(C)C)c1 ZINC000725246284 567908202 /nfs/dbraw/zinc/90/82/02/567908202.db2.gz TVTPVGIAQGURAF-UHFFFAOYSA-N 0 0 252.499 4.875 50 0 CJAARN Cc1ccc(CSCC[Si](C)(C)C)c(C)c1 ZINC000725246445 570255749 /nfs/dbraw/zinc/25/57/49/570255749.db2.gz WDZFXHLOTQBIFG-UHFFFAOYSA-N 0 0 252.499 4.875 50 0 CJAARN C[Si](C)(C)CCSCc1ccc(Cl)cc1 ZINC000725246530 567908459 /nfs/dbraw/zinc/90/84/59/567908459.db2.gz XZHYDARHOJFJRC-UHFFFAOYSA-N 0 0 258.890 4.911 50 0 CJAARN C[Si](C)(C)CCSCc1ccccc1Cl ZINC000725246541 567908415 /nfs/dbraw/zinc/90/84/15/567908415.db2.gz YAQGKTGKRVSYSY-UHFFFAOYSA-N 0 0 258.890 4.911 50 0 CJAARN CC(C)(C)c1cccc(-c2cc(C=O)ccc2F)c1 ZINC000725269024 567924148 /nfs/dbraw/zinc/92/41/48/567924148.db2.gz BXCODSZENLTVNB-UHFFFAOYSA-N 0 0 256.320 4.603 50 0 CJAARN CC(C)(C)c1cccc(-c2cccc(C=O)c2F)c1 ZINC000725269235 567924302 /nfs/dbraw/zinc/92/43/02/567924302.db2.gz HDUJDMXPNKXBJK-UHFFFAOYSA-N 0 0 256.320 4.603 50 0 CJAARN Cc1cc(C=O)ccc1-c1cccc(C(C)(C)C)c1 ZINC000725269250 567924266 /nfs/dbraw/zinc/92/42/66/567924266.db2.gz IEWHBXOZHRQIAP-UHFFFAOYSA-N 0 0 252.357 4.772 50 0 CJAARN CC(C)(C)c1cccc(-c2ccc(F)cc2C=O)c1 ZINC000725269858 567924450 /nfs/dbraw/zinc/92/44/50/567924450.db2.gz QQLOKYDZCBVQLC-UHFFFAOYSA-N 0 0 256.320 4.603 50 0 CJAARN CC(C)(C)c1cccc(-c2ccc(C=O)c(F)c2)c1 ZINC000725269884 567924444 /nfs/dbraw/zinc/92/44/44/567924444.db2.gz RETCZRFRKDXDML-UHFFFAOYSA-N 0 0 256.320 4.603 50 0 CJAARN Cc1sccc1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000725270889 567924758 /nfs/dbraw/zinc/92/47/58/567924758.db2.gz UOWSOCLXPRHXQH-UHFFFAOYSA-N 0 0 274.385 4.679 50 0 CJAARN Cc1cccc(-c2ccnc(C(F)F)c2)c1Br ZINC000725273595 570264025 /nfs/dbraw/zinc/26/40/25/570264025.db2.gz NQHUTDOUEDAEHA-UHFFFAOYSA-N 0 0 298.130 4.757 50 0 CJAARN