smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000000002216 169503685 /nfs/dbraw/zinc/50/36/85/169503685.db2.gz XEFQLINVKFYRCS-UHFFFAOYSA-N 0 0 289.545 5.145 50 0 fda CKAARN O=Cc1ccc(-c2ccc(-c3cccs3)s2)s1 ZINC000000009880 169505733 /nfs/dbraw/zinc/50/57/33/169505733.db2.gz PMPDDPJYARBNGV-UHFFFAOYSA-N 0 0 276.407 5.018 50 0 CKAARN Cc1ccc(CCSc2ccc(Cl)c(Cl)c2)cn1 ZINC000000033218 169510610 /nfs/dbraw/zinc/51/06/10/169510610.db2.gz PPXRWUYGZGTKCQ-UHFFFAOYSA-N 0 0 298.238 5.032 50 0 CKAARN CC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000000033939 567816795 /nfs/dbraw/zinc/81/67/95/567816795.db2.gz ITFUMFBPBDGSPW-UHFFFAOYSA-N 0 0 295.769 5.066 50 0 CKAARN Clc1ccc(-c2ccc(-c3nc4ccccc4o3)o2)cc1 ZINC000000034814 169511444 /nfs/dbraw/zinc/51/14/44/169511444.db2.gz SNBOVNWGFCPHHO-UHFFFAOYSA-N 0 0 295.725 5.408 50 0 CKAARN c1ccc2[nH]c(SCc3cccc4ccccc43)nc2c1 ZINC000000036154 567816756 /nfs/dbraw/zinc/81/67/56/567816756.db2.gz ZXMIYWPWQZIVGM-UHFFFAOYSA-N 0 0 290.391 5.008 50 0 CKAARN c1ccc2oc(SCc3cccc4ccccc43)nc2c1 ZINC000000036158 567816684 /nfs/dbraw/zinc/81/66/84/567816684.db2.gz LDGCSJYDINWTRT-UHFFFAOYSA-N 0 0 291.375 5.273 50 0 CKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cccs1 ZINC000000037930 567816801 /nfs/dbraw/zinc/81/68/01/567816801.db2.gz VJIYUXAHSJWFMU-UHFFFAOYSA-N 0 0 287.428 5.247 50 0 CKAARN c1nc(-c2cccc3ccccc32)oc1-c1ccccc1 ZINC000000039343 567816959 /nfs/dbraw/zinc/81/69/59/567816959.db2.gz WWVFJJKBBZXWFV-UHFFFAOYSA-N 0 0 271.319 5.162 50 0 CKAARN Clc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000000041653 567817031 /nfs/dbraw/zinc/81/70/31/567817031.db2.gz IZEQQIVJQWJZCQ-UHFFFAOYSA-N 0 0 271.772 5.131 50 0 CKAARN c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1 ZINC000000047442 169516908 /nfs/dbraw/zinc/51/69/08/169516908.db2.gz GEUMATNMPIDQNQ-UHFFFAOYSA-N 0 0 294.404 5.087 50 0 CKAARN Clc1ccc(NCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000000048355 169516952 /nfs/dbraw/zinc/51/69/52/169516952.db2.gz FOEVTFOQCZEKRH-UHFFFAOYSA-N 0 0 291.181 5.087 50 0 CKAARN c1sc(Nc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000000050615 567905893 /nfs/dbraw/zinc/90/58/93/567905893.db2.gz BYGUXWGMMCKVSR-UHFFFAOYSA-N 0 0 292.363 5.300 50 0 CKAARN Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C ZINC000000055071 567817061 /nfs/dbraw/zinc/81/70/61/567817061.db2.gz MXIGNRKWLRQTPS-UHFFFAOYSA-N 0 0 293.482 5.199 50 0 CKAARN CC(C)(C)c1cc(-c2cccs2)cc(-c2cccs2)c1 ZINC000000062758 169522778 /nfs/dbraw/zinc/52/27/78/169522778.db2.gz AVWKTQSZHAANJK-UHFFFAOYSA-N 0 0 298.476 6.441 50 0 CKAARN Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000000063688 567906609 /nfs/dbraw/zinc/90/66/09/567906609.db2.gz QSMSFLSNTLDRAI-UHFFFAOYSA-N 0 0 294.423 5.479 50 0 CKAARN Cc1ccc(-c2csc(Nc3cccc(C)c3C)n2)cc1 ZINC000000064534 567906648 /nfs/dbraw/zinc/90/66/48/567906648.db2.gz XIBYZPJQLWONIH-UHFFFAOYSA-N 0 0 294.423 5.479 50 0 CKAARN Cc1cc2c(cc1C)CSC(c1ccccc1)SC2 ZINC000000066929 567817597 /nfs/dbraw/zinc/81/75/97/567817597.db2.gz HQRAPJHAYXQOFB-UHFFFAOYSA-N 0 0 286.465 5.482 50 0 CKAARN Cc1cc2c(cc1C)CSC(c1cccs1)SC2 ZINC000000066935 567817602 /nfs/dbraw/zinc/81/76/02/567817602.db2.gz QJBNIMGVNDABHF-UHFFFAOYSA-N 0 0 292.494 5.544 50 0 CKAARN Cc1cc2c(cc1C)CSC(c1ccco1)SC2 ZINC000000066938 567817542 /nfs/dbraw/zinc/81/75/42/567817542.db2.gz CUWTXGDOBJHLDG-UHFFFAOYSA-N 0 0 276.426 5.075 50 0 CKAARN Cc1ccc(Nc2nc3ccccc3s2)cc1Cl ZINC000000067051 567817551 /nfs/dbraw/zinc/81/75/51/567817551.db2.gz KOKNHIGKSUUWCU-UHFFFAOYSA-N 0 0 274.776 5.002 50 0 CKAARN O=C1/C(=C/c2ccsc2)CCC/C1=C/c1ccsc1 ZINC000000067771 567860501 /nfs/dbraw/zinc/86/05/01/567860501.db2.gz BVEGPXVJSTZUMV-DJJIWSAGSA-N 0 0 286.421 5.030 50 0 CKAARN O=C1/C(=C\c2ccsc2)CCC/C1=C/c1ccsc1 ZINC000000067774 169524916 /nfs/dbraw/zinc/52/49/16/169524916.db2.gz BVEGPXVJSTZUMV-SFGFDRCGSA-N 0 0 286.421 5.030 50 0 CKAARN Cc1cc2c(o1)-c1c3cc(Cl)ccc3oc1CC[C@H]2C ZINC000000068447 169525068 /nfs/dbraw/zinc/52/50/68/169525068.db2.gz PNYZJUYQCXUZNB-SECBINFHSA-N 0 0 286.758 5.704 50 0 CKAARN Cc1cc2c(o1)-c1c3cc(Cl)ccc3oc1CC[C@@H]2C ZINC000000068450 570356943 /nfs/dbraw/zinc/35/69/43/570356943.db2.gz PNYZJUYQCXUZNB-VIFPVBQESA-N 0 0 286.758 5.704 50 0 CKAARN Cc1cc(C)c(C)c2sc(Nc3c(C)cccc3C)nc21 ZINC000000071557 169526431 /nfs/dbraw/zinc/52/64/31/169526431.db2.gz JMRNICSETVTZBE-UHFFFAOYSA-N 0 0 296.439 5.582 50 0 CKAARN CCc1ccccc1Nc1nc(-c2ccccc2)cs1 ZINC000000073620 169526657 /nfs/dbraw/zinc/52/66/57/169526657.db2.gz VBFHHTJYRIMAMM-UHFFFAOYSA-N 0 0 280.396 5.116 50 0 CKAARN Clc1ccc(Sc2c(Cl)cncc2Cl)cc1 ZINC000000075898 567935775 /nfs/dbraw/zinc/93/57/75/567935775.db2.gz KUNOGYPYHCVBIE-UHFFFAOYSA-N 0 0 290.602 5.193 50 0 CKAARN CCC(CC)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000000076878 169528104 /nfs/dbraw/zinc/52/81/04/169528104.db2.gz QBFKBSLQJVPNBX-UHFFFAOYSA-N 0 0 291.398 5.277 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccccc3C)n2)cc1 ZINC000000076979 567817528 /nfs/dbraw/zinc/81/75/28/567817528.db2.gz KDFOIJWYQRYKHT-UHFFFAOYSA-N 0 0 280.396 5.171 50 0 CKAARN Cc1cccc(C)c1NC(=S)Nc1ccc(C(C)C)cc1 ZINC000000079287 567817723 /nfs/dbraw/zinc/81/77/23/567817723.db2.gz XBHUXAPJBZVAOV-UHFFFAOYSA-N 0 0 298.455 5.236 50 0 CKAARN Clc1ccc2sc(SCc3ccccc3)nc2c1 ZINC000000079672 567817765 /nfs/dbraw/zinc/81/77/65/567817765.db2.gz IQZCJHUDJDBFNI-UHFFFAOYSA-N 0 0 291.828 5.242 50 0 CKAARN Clc1ccc2sc(Sc3ccccc3)nc2c1 ZINC000000079681 567817927 /nfs/dbraw/zinc/81/79/27/567817927.db2.gz FEYRGPHTOSLEPY-UHFFFAOYSA-N 0 0 277.801 5.101 50 0 CKAARN O=C(Nc1ccc(Cl)cc1)Sc1ccccc1Cl ZINC000000079710 567817794 /nfs/dbraw/zinc/81/77/94/567817794.db2.gz OPKGTAFVJJSZJO-UHFFFAOYSA-N 0 0 298.194 5.318 50 0 CKAARN CSc1cc(-c2ccc(Cl)cc2)nc(C(C)(C)C)c1 ZINC000000079717 567817895 /nfs/dbraw/zinc/81/78/95/567817895.db2.gz FOIJKAJSNQOUJI-UHFFFAOYSA-N 0 0 291.847 5.421 50 0 CKAARN Cc1csc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000000082651 567817876 /nfs/dbraw/zinc/81/78/76/567817876.db2.gz RBFVJCRCIUPMLY-UHFFFAOYSA-N 0 0 298.411 5.071 50 0 CKAARN CCOc1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000000085400 567904951 /nfs/dbraw/zinc/90/49/51/567904951.db2.gz ISXPELHAGSCOTH-UHFFFAOYSA-N 0 0 298.773 5.031 50 0 CKAARN Cc1ccc(OCc2ccc(Cl)cc2)c(C(C)(C)C)c1 ZINC000000095257 567909962 /nfs/dbraw/zinc/90/99/62/567909962.db2.gz QLKDMFGOCMUXDW-UHFFFAOYSA-N 0 0 288.818 5.525 50 0 CKAARN Clc1cccc(Cl)c1CSc1cccs1 ZINC000000096447 567935608 /nfs/dbraw/zinc/93/56/08/567935608.db2.gz MQVYBCYHOJDQIW-UHFFFAOYSA-N 0 0 275.225 5.347 50 0 CKAARN CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000000098358 567818300 /nfs/dbraw/zinc/81/83/00/567818300.db2.gz RBKGJKUWWDNBNT-UHFFFAOYSA-N 0 0 267.397 5.261 50 0 CKAARN CCc1ccc(NC(=S)Nc2ccccc2C(C)C)cc1 ZINC000000098739 169535239 /nfs/dbraw/zinc/53/52/39/169535239.db2.gz XLVQJYPINDUQRX-UHFFFAOYSA-N 0 0 298.455 5.181 50 0 CKAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1 ZINC000000098771 567818181 /nfs/dbraw/zinc/81/81/81/567818181.db2.gz QUYJZFJRIXLNBQ-UHFFFAOYSA-N 0 0 281.399 5.186 50 0 CKAARN O=C(Nc1ccc(Cl)cc1)Oc1ccc2ccccc2c1 ZINC000000099895 567818164 /nfs/dbraw/zinc/81/81/64/567818164.db2.gz XUMVCNGDXOEQTM-UHFFFAOYSA-N 0 0 297.741 5.104 50 0 CKAARN Cc1cc(SCc2ccc(F)cc2)c(C)cc1Cl ZINC000000101209 567818290 /nfs/dbraw/zinc/81/82/90/567818290.db2.gz NWKBYIRXDQRQRY-UHFFFAOYSA-N 0 0 280.795 5.388 50 0 CKAARN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000101555 169536348 /nfs/dbraw/zinc/53/63/48/169536348.db2.gz ZRVOEUULKIVHPC-GFCCVEGCSA-N 0 0 287.790 5.106 50 0 CKAARN CC[C@H](C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000101558 169536589 /nfs/dbraw/zinc/53/65/89/169536589.db2.gz ZRVOEUULKIVHPC-LBPRGKRZSA-N 0 0 287.790 5.106 50 0 CKAARN Cc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000000104000 567818522 /nfs/dbraw/zinc/81/85/22/567818522.db2.gz PRFWZDOKAUZCCA-UHFFFAOYSA-N 0 0 265.356 5.101 50 0 CKAARN CCOc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000000104171 567818481 /nfs/dbraw/zinc/81/84/81/567818481.db2.gz RDBXCICTXSDJIF-UHFFFAOYSA-N 0 0 298.773 5.031 50 0 CKAARN CC(C)c1ccc(CSCc2nc3ccccc3[nH]2)cc1 ZINC000000104813 567818544 /nfs/dbraw/zinc/81/85/44/567818544.db2.gz UAJNOGPSRHVLRD-UHFFFAOYSA-N 0 0 296.439 5.120 50 0 CKAARN CCC(CC)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000000104826 567818400 /nfs/dbraw/zinc/81/84/00/567818400.db2.gz ROEGEUDNRNSQJD-UHFFFAOYSA-N 0 0 297.423 5.252 50 0 CKAARN CSC1=N[C@@]2(C)CCCC[C@H]2c2c3ccccc3ccc21 ZINC000000105439 169537948 /nfs/dbraw/zinc/53/79/48/169537948.db2.gz IRVMDJVQMGWFTB-LPHOPBHVSA-N 0 0 295.451 5.379 50 0 CKAARN CSC1=N[C@]2(C)CCCC[C@H]2c2c3ccccc3ccc21 ZINC000000105442 567922937 /nfs/dbraw/zinc/92/29/37/567922937.db2.gz IRVMDJVQMGWFTB-QFBILLFUSA-N 0 0 295.451 5.379 50 0 CKAARN CSC1=N[C@@]2(C)CCCC[C@@H]2c2c3ccccc3ccc21 ZINC000000105445 567922916 /nfs/dbraw/zinc/92/29/16/567922916.db2.gz IRVMDJVQMGWFTB-APWZRJJASA-N 0 0 295.451 5.379 50 0 CKAARN CSC1=N[C@]2(C)CCCC[C@@H]2c2c3ccccc3ccc21 ZINC000000105447 169537977 /nfs/dbraw/zinc/53/79/77/169537977.db2.gz IRVMDJVQMGWFTB-VQIMIIECSA-N 0 0 295.451 5.379 50 0 CKAARN Cc1sc(Nc2ccccc2)nc1-c1ccc(C)cc1 ZINC000000105811 567935298 /nfs/dbraw/zinc/93/52/98/567935298.db2.gz LJWPFZWXVZAHHP-UHFFFAOYSA-N 0 0 280.396 5.171 50 0 CKAARN CC(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000106494 169538361 /nfs/dbraw/zinc/53/83/61/169538361.db2.gz YVKOKRXHGWUJJL-UHFFFAOYSA-N 0 0 288.778 5.107 50 0 CKAARN Cc1ccc(Sc2nc3ccc(Cl)cc3s2)cc1 ZINC000000106987 169538366 /nfs/dbraw/zinc/53/83/66/169538366.db2.gz DCICKDCKPJPQJO-UHFFFAOYSA-N 0 0 291.828 5.409 50 0 CKAARN CSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000000108809 169539128 /nfs/dbraw/zinc/53/91/28/169539128.db2.gz VLRGRBLXZHZIII-UHFFFAOYSA-N 0 0 273.788 5.210 50 0 CKAARN Cc1nc(-c2ccc(-c3ccccc3F)cc2)c(C)s1 ZINC000000111102 567818432 /nfs/dbraw/zinc/81/84/32/567818432.db2.gz JXHKNPJMQYZVFK-UHFFFAOYSA-N 0 0 283.371 5.233 50 0 CKAARN Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000000111307 169539970 /nfs/dbraw/zinc/53/99/70/169539970.db2.gz BSUWALIGSCEYMO-UHFFFAOYSA-N 0 0 285.799 5.439 50 0 CKAARN Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000000111311 567818540 /nfs/dbraw/zinc/81/85/40/567818540.db2.gz PFEPDTLNDAEBJL-UHFFFAOYSA-N 0 0 299.826 5.747 50 0 CKAARN Cc1ccc(-c2csc(-c3ccccc3)n2)c(C)c1 ZINC000000111335 567935504 /nfs/dbraw/zinc/93/55/04/567935504.db2.gz HPLQODZXFUKAKH-UHFFFAOYSA-N 0 0 265.381 5.094 50 0 CKAARN CC(C)(C)c1cc(Nc2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000000111739 567923378 /nfs/dbraw/zinc/92/33/78/567923378.db2.gz ZUPYNWDCBKQTIH-UHFFFAOYSA-N 0 0 298.430 5.126 50 0 CKAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc2ccccc21 ZINC000000112699 567818620 /nfs/dbraw/zinc/81/86/20/567818620.db2.gz OUYIIIGCEKDAEQ-UHFFFAOYSA-N 0 0 296.757 5.137 50 0 CKAARN Fc1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000000113828 567818786 /nfs/dbraw/zinc/81/87/86/567818786.db2.gz DLOAXFRFGRVBGR-UHFFFAOYSA-N 0 0 289.762 5.270 50 0 CKAARN Clc1ccc(-c2csc(Nc3ccccc3)n2)s1 ZINC000000117755 567935513 /nfs/dbraw/zinc/93/55/13/567935513.db2.gz ZXQVKHXNVHRVBD-UHFFFAOYSA-N 0 0 292.816 5.269 50 0 CKAARN Clc1ccc(-c2csc(-c3ccsc3)n2)s1 ZINC000000117792 169542246 /nfs/dbraw/zinc/54/22/46/169542246.db2.gz CXBOVCWOMUYYAW-UHFFFAOYSA-N 0 0 283.830 5.254 50 0 CKAARN c1csc(-c2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000000119722 567818738 /nfs/dbraw/zinc/81/87/38/567818738.db2.gz JWOJJHCDUXOMQA-UHFFFAOYSA-N 0 0 283.377 5.285 50 0 CKAARN c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000000120193 567818664 /nfs/dbraw/zinc/81/86/64/567818664.db2.gz WMAXWOOEPJQXEB-UHFFFAOYSA-N 0 0 298.345 5.071 50 0 CKAARN FC(F)(F)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000000120425 567818698 /nfs/dbraw/zinc/81/86/98/567818698.db2.gz NERVSBJOVPDWNM-UHFFFAOYSA-N 0 0 289.256 5.027 50 0 CKAARN Cc1ccc(SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000000120489 567818709 /nfs/dbraw/zinc/81/87/09/567818709.db2.gz GDVHTTHIMVAGGT-UHFFFAOYSA-N 0 0 282.330 5.306 50 0 CKAARN Cc1ccc(Nc2cc(C)nc3cc(Cl)ccc32)cc1 ZINC000000120833 567818821 /nfs/dbraw/zinc/81/88/21/567818821.db2.gz LIPZWSWXSGILFD-UHFFFAOYSA-N 0 0 282.774 5.249 50 0 CKAARN Clc1ccccc1CSc1nc2ccccc2s1 ZINC000000120910 169542973 /nfs/dbraw/zinc/54/29/73/169542973.db2.gz DCCWKNGCDFVVBA-UHFFFAOYSA-N 0 0 291.828 5.242 50 0 CKAARN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1 ZINC000000122408 570382489 /nfs/dbraw/zinc/38/24/89/570382489.db2.gz HLGROQBDTIFHFA-UHFFFAOYSA-N 0 0 296.414 5.577 50 0 CKAARN Cc1cc(Sc2ccc(Cl)cc2)nc2ccccc12 ZINC000000124597 567923277 /nfs/dbraw/zinc/92/32/77/567923277.db2.gz AQVQXFBJVMIKBH-UHFFFAOYSA-N 0 0 285.799 5.348 50 0 CKAARN Cc1ccc(-c2csc(-c3ccc(C)c(F)c3)n2)cc1 ZINC000000127774 567819070 /nfs/dbraw/zinc/81/90/70/567819070.db2.gz PHRKCZPKVKVHCL-UHFFFAOYSA-N 0 0 283.371 5.233 50 0 CKAARN CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000134275 567819787 /nfs/dbraw/zinc/81/97/87/567819787.db2.gz JIOHJGYNOGRAHG-UHFFFAOYSA-N 0 0 264.155 5.121 50 0 CKAARN Clc1ccc([C@H]2CC(C3CC3)=NN2c2ccccc2)cc1 ZINC000000135863 567819565 /nfs/dbraw/zinc/81/95/65/567819565.db2.gz HEHWIBQALNWPTE-GOSISDBHSA-N 0 0 296.801 5.057 50 0 CKAARN Clc1ccc([C@@H]2CC(C3CC3)=NN2c2ccccc2)cc1 ZINC000000135865 567819744 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FC(F)(F)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000001383424 169697196 /nfs/dbraw/zinc/69/71/96/169697196.db2.gz GGADJBPCLUBUIQ-UHFFFAOYSA-N 0 0 295.691 5.507 50 0 CKAARN O=C1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001386269 567836952 /nfs/dbraw/zinc/83/69/52/567836952.db2.gz JGMBHJNMQVKDMW-LLVKDONJSA-N 0 0 291.177 5.102 50 0 in-vitro CKAARN O=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001386270 567837024 /nfs/dbraw/zinc/83/70/24/567837024.db2.gz JGMBHJNMQVKDMW-NSHDSACASA-N 0 0 291.177 5.102 50 0 in-vitro CKAARN CC(C)c1ccc(Nc2ncnc3cc(Cl)ccc32)cc1 ZINC000001387060 169698188 /nfs/dbraw/zinc/69/81/88/169698188.db2.gz KHBHJQRIJRLQHU-UHFFFAOYSA-N 0 0 297.789 5.150 50 0 CKAARN CSCc1ccccc1Sc1ccc(Cl)cc1 ZINC000001387489 169698461 /nfs/dbraw/zinc/69/84/61/169698461.db2.gz RRYCIKIPTLYPJR-UHFFFAOYSA-N 0 0 280.845 5.354 50 0 CKAARN Cc1ccc(Sc2cc(C)c3cccc(C)c3n2)cc1 ZINC000001389603 169699097 /nfs/dbraw/zinc/69/90/97/169699097.db2.gz RRKPSWRXBKRCBQ-UHFFFAOYSA-N 0 0 279.408 5.311 50 0 CKAARN 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/nfs/dbraw/zinc/21/82/17/570218217.db2.gz GMQJZBXEWAGJGQ-LFIBNONCSA-N 0 0 299.373 5.006 50 0 CKAARN Cc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000001511777 566905770 /nfs/dbraw/zinc/90/57/70/566905770.db2.gz IIZXASAOKHIFGY-UHFFFAOYSA-N 0 0 293.410 5.295 50 0 CKAARN Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1 ZINC000001516266 169711159 /nfs/dbraw/zinc/71/11/59/169711159.db2.gz CEBLAUSMJSQGHL-UHFFFAOYSA-N 0 0 283.374 5.810 50 0 CKAARN Cc1ccc(C)c(Nc2nc(-c3ccccc3)cs2)c1 ZINC000001516446 570340990 /nfs/dbraw/zinc/34/09/90/570340990.db2.gz ILMXTBFTYOPQEX-UHFFFAOYSA-N 0 0 280.396 5.171 50 0 CKAARN Clc1ccc(-c2cc3ccccc3[nH]2)c(Cl)c1 ZINC000001519028 567837776 /nfs/dbraw/zinc/83/77/76/567837776.db2.gz ZFEKXOOYILRYEW-UHFFFAOYSA-N 0 0 262.139 5.142 50 0 CKAARN Clc1ccc(Cl)c(-c2cc3ccccc3[nH]2)c1 ZINC000001519029 567837724 /nfs/dbraw/zinc/83/77/24/567837724.db2.gz XUSVEDVTSOVFDS-UHFFFAOYSA-N 0 0 262.139 5.142 50 0 CKAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO ZINC000001531391 567837712 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567055339 /nfs/dbraw/zinc/05/53/39/567055339.db2.gz QEQFTTCZLHLKFX-UHFFFAOYSA-N 0 0 290.793 5.842 50 0 CKAARN C1=CC(=C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000001589744 567906511 /nfs/dbraw/zinc/90/65/11/567906511.db2.gz MWUQDVNGYMNUNV-UHFFFAOYSA-N 0 0 280.370 5.673 50 0 CKAARN COc1ccc2nc(C)cc(Sc3ccc(C)cc3)c2c1 ZINC000001591904 169720607 /nfs/dbraw/zinc/72/06/07/169720607.db2.gz LOBZUCYCVJYALV-UHFFFAOYSA-N 0 0 295.407 5.011 50 0 CKAARN Cc1ccc(C(=C(Cl)Cl)c2ccc(C)cc2)cc1 ZINC000001591980 567838868 /nfs/dbraw/zinc/83/88/68/567838868.db2.gz MSUWJPYRBHVMHQ-UHFFFAOYSA-N 0 0 277.194 5.498 50 0 CKAARN CNc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001592749 566994314 /nfs/dbraw/zinc/99/43/14/566994314.db2.gz GOTTXTLRASJWGV-UHFFFAOYSA-N 0 0 283.374 5.298 50 0 CKAARN COc1ccc(CCCCCCc2ccc(OC)cc2)cc1 ZINC000001595847 567906805 /nfs/dbraw/zinc/90/68/05/567906805.db2.gz ALPOVNVKRRSATH-UHFFFAOYSA-N 0 0 298.426 5.049 50 0 CKAARN C(=C/c1ccc(/C=C/c2ccccc2)cc1)\c1ccccc1 ZINC000001596910 567839132 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/nfs/dbraw/zinc/84/11/68/567841168.db2.gz MJEPOVIWHVRBIT-UHFFFAOYSA-N 0 0 255.169 5.145 50 0 CKAARN c1c(-c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000001672436 567932238 /nfs/dbraw/zinc/93/22/38/567932238.db2.gz AHZYJPPGJMXOPB-UHFFFAOYSA-N 0 0 296.369 6.281 50 0 CKAARN ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1 ZINC000001673042 567841125 /nfs/dbraw/zinc/84/11/25/567841125.db2.gz ZADGQTHIZZOKGE-UHFFFAOYSA-N 0 0 285.601 5.189 50 0 in-vitro CKAARN c1ccc2c(c1)CCC=C2C1=CCCc2ccccc21 ZINC000001680810 567841494 /nfs/dbraw/zinc/84/14/94/567841494.db2.gz QZIBLSYKUOHZFG-UHFFFAOYSA-N 0 0 258.364 5.046 50 0 CKAARN c1ccc2c(c1)cccc2Nc1cccc2ccccc21 ZINC000001683190 567841463 /nfs/dbraw/zinc/84/14/63/567841463.db2.gz VMVGVGMRBKYIGN-UHFFFAOYSA-N 0 0 269.347 5.737 50 0 CKAARN Clc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000001686663 567841374 /nfs/dbraw/zinc/84/13/74/567841374.db2.gz WNMSSOWUFXADRQ-UHFFFAOYSA-N 0 0 279.770 5.810 50 0 CKAARN Clc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001687568 570383676 /nfs/dbraw/zinc/38/36/76/570383676.db2.gz ASZNQDQGGOSSEM-UHFFFAOYSA-N 0 0 288.777 5.909 50 0 CKAARN c1ccc2cc(-c3ccc4ccccc4c3)ccc2c1 ZINC000001690209 567841840 /nfs/dbraw/zinc/84/18/40/567841840.db2.gz MSBVBOUOMVTWKE-UHFFFAOYSA-N 0 0 254.332 5.660 50 0 CKAARN c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000001690587 567841657 /nfs/dbraw/zinc/84/16/57/567841657.db2.gz GBCJQOITJVEDQO-UHFFFAOYSA-N 0 0 295.385 6.016 50 0 CKAARN c1ccc(-c2nc3nc(-c4ccccc4)sc3s2)cc1 ZINC000001691250 567931593 /nfs/dbraw/zinc/93/15/93/567931593.db2.gz IWRRXBXFDWPBBE-UHFFFAOYSA-N 0 0 294.404 5.087 50 0 CKAARN C1=C(c2ccccc2)[C@H](c2ccccc2)c2ccccc21 ZINC000001692707 566911128 /nfs/dbraw/zinc/91/11/28/566911128.db2.gz VCEAQWICCXVOJV-OAQYLSRUSA-N 0 0 268.359 5.373 50 0 CKAARN c1ccc(CC(c2ccccc2)c2ccccc2)cc1 ZINC000001695336 567841842 /nfs/dbraw/zinc/84/18/42/567841842.db2.gz KIIBETRYVBIAOO-UHFFFAOYSA-N 0 0 258.364 5.061 50 0 CKAARN Cc1cc(C)c(C)c(Cc2c(C)c(C)cc(C)c2C)c1C ZINC000001695356 567841630 /nfs/dbraw/zinc/84/16/30/567841630.db2.gz WMMIAXPRAGKYLG-UHFFFAOYSA-N 0 0 280.455 5.745 50 0 CKAARN Cc1cc(C(C)(CC(C)C)c2ccc(O)c(C)c2)ccc1O ZINC000001699286 567841726 /nfs/dbraw/zinc/84/17/26/567841726.db2.gz RRTAHSFLJWLXKL-UHFFFAOYSA-N 0 0 298.426 5.067 50 0 CKAARN c1c2ccccc2sc1-c1ccc2ccccc2c1 ZINC000001701868 169745335 /nfs/dbraw/zinc/74/53/35/169745335.db2.gz VXNMJAGOXHIGRF-UHFFFAOYSA-N 0 0 260.361 5.722 50 0 CKAARN Brc1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000001702781 169745148 /nfs/dbraw/zinc/74/51/48/169745148.db2.gz IKSNXMHAGMXMCA-KAMYIIQDSA-N 0 0 283.168 5.017 50 0 CKAARN O=C1CCCc2c3ccccc3c(C3CCCC3)cc21 ZINC000001704036 567842041 /nfs/dbraw/zinc/84/20/41/567842041.db2.gz POBJDJDNKHPTKM-UHFFFAOYSA-N 0 0 264.368 5.016 50 0 CKAARN CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000001704768 567842018 /nfs/dbraw/zinc/84/20/18/567842018.db2.gz XOJVVFBFDXDTEG-OALUTQOASA-N 0 0 268.529 7.082 50 0 endogenous,in-man CKAARN CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000001704769 567842000 /nfs/dbraw/zinc/84/20/00/567842000.db2.gz XOJVVFBFDXDTEG-RTBURBONSA-N 0 0 268.529 7.082 50 0 endogenous,in-man CKAARN c1ccc(C2(c3ccccc3)C=Cc3ccccc3O2)cc1 ZINC000001704996 566947118 /nfs/dbraw/zinc/94/71/18/566947118.db2.gz IOZRRXQDBILMFX-UHFFFAOYSA-N 0 0 284.358 5.036 50 0 CKAARN c1ccc2c(c1)cccc2-c1cccc2ccccc21 ZINC000001706824 567842257 /nfs/dbraw/zinc/84/22/57/567842257.db2.gz ZDZHCHYQNPQSGG-UHFFFAOYSA-N 0 0 254.332 5.660 50 0 CKAARN O=C(Nc1cccc2ccccc21)c1cccc2ccccc21 ZINC000001706826 567841982 /nfs/dbraw/zinc/84/19/82/567841982.db2.gz OAJJHQSXKMOPJU-UHFFFAOYSA-N 0 0 297.357 5.245 50 0 CKAARN OC(c1ccccc1)(C1CCCCC1)C1CCCCC1 ZINC000001710992 567056946 /nfs/dbraw/zinc/05/69/46/567056946.db2.gz DHEFEZRVDYNNFC-UHFFFAOYSA-N 0 0 272.432 5.035 50 0 CKAARN CCCC[C@@H](CC)CC[C@H](O)CCC(CC)CC ZINC000001711291 169747632 /nfs/dbraw/zinc/74/76/32/169747632.db2.gz NWDHHLKROQOLMQ-IAGOWNOFSA-N 0 0 256.474 5.560 50 0 CKAARN CCCC[C@H](CC)CC[C@H](O)CCC(CC)CC ZINC000001711292 567842019 /nfs/dbraw/zinc/84/20/19/567842019.db2.gz NWDHHLKROQOLMQ-DLBZAZTESA-N 0 0 256.474 5.560 50 0 CKAARN CCCC[C@@H](CC)CC[C@@H](O)CCC(CC)CC ZINC000001711293 567842063 /nfs/dbraw/zinc/84/20/63/567842063.db2.gz NWDHHLKROQOLMQ-SJORKVTESA-N 0 0 256.474 5.560 50 0 CKAARN CCCC[C@H](CC)CC[C@@H](O)CCC(CC)CC ZINC000001711294 169747721 /nfs/dbraw/zinc/74/77/21/169747721.db2.gz NWDHHLKROQOLMQ-IRXDYDNUSA-N 0 0 256.474 5.560 50 0 CKAARN c1ccc(C2=C(c3ccccc3)C2c2ccccc2)cc1 ZINC000001712002 169748146 /nfs/dbraw/zinc/74/81/46/169748146.db2.gz UFTDGVXRVMJEDI-UHFFFAOYSA-N 0 0 268.359 5.395 50 0 CKAARN Brc1c(Cc2ccccc2)ccc2ccccc21 ZINC000001712175 567842174 /nfs/dbraw/zinc/84/21/74/567842174.db2.gz OZZOZFRBXGDMHC-UHFFFAOYSA-N 0 0 297.195 5.193 50 0 CKAARN C1=C(c2ccccc2)C(c2ccccc2)(c2ccccc2)OC1 ZINC000001712939 567055953 /nfs/dbraw/zinc/05/59/53/567055953.db2.gz KMSWVYLXOSDOKN-UHFFFAOYSA-N 0 0 298.385 5.044 50 0 CKAARN c1ccc2c(c1)[nH]c1c2CCc2c-1ccc1ccccc12 ZINC000001719993 169749894 /nfs/dbraw/zinc/74/98/94/169749894.db2.gz DBPZRZKWOVSANT-UHFFFAOYSA-N 0 0 269.347 5.087 50 0 CKAARN c1ccc(-c2noc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001720000 169750122 /nfs/dbraw/zinc/75/01/22/169750122.db2.gz ZVOMKZHDZNGXPN-UHFFFAOYSA-N 0 0 297.357 5.676 50 0 CKAARN Cc1c(C)c(CC(C)(C)C)c(C)c(C)c1CC(C)(C)C ZINC000001722247 567842438 /nfs/dbraw/zinc/84/24/38/567842438.db2.gz YRQKLQDETHWVBC-UHFFFAOYSA-N 0 0 274.492 6.097 50 0 CKAARN c1ccc(-c2sc(-c3ccccc3)c3ccccc32)cc1 ZINC000001722325 567842323 /nfs/dbraw/zinc/84/23/23/567842323.db2.gz RQXSNTYLVXFUAA-UHFFFAOYSA-N 0 0 286.399 6.235 50 0 CKAARN COc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724434 570349470 /nfs/dbraw/zinc/34/94/70/570349470.db2.gz NKNOIHZBUJIRRY-UHFFFAOYSA-N 0 0 284.358 5.265 50 0 CKAARN C(/C=C/c1ccccc1)=C1c2ccccc2-c2ccccc21 ZINC000001724436 567842729 /nfs/dbraw/zinc/84/27/29/567842729.db2.gz FDELSKWIDIUQDN-DHZHZOJOSA-N 0 0 280.370 5.812 50 0 CKAARN O=C(Nc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000001724508 570349486 /nfs/dbraw/zinc/34/94/86/570349486.db2.gz JRBPULSWJKLSOB-UHFFFAOYSA-N 0 0 297.357 5.245 50 0 CKAARN CCCC[C@H](CC)CSC[C@@H](CC)CCCC ZINC000001725972 169751195 /nfs/dbraw/zinc/75/11/95/169751195.db2.gz UGASTCGQAJBUOO-HOTGVXAUSA-N 0 0 258.515 6.152 50 0 CKAARN CCCC[C@@H](CC)CSC[C@H](CC)CCCC ZINC000001725973 169751381 /nfs/dbraw/zinc/75/13/81/169751381.db2.gz UGASTCGQAJBUOO-HZPDHXFCSA-N 0 0 258.515 6.152 50 0 CKAARN OC(C1CCCCC1)(C1CCCCC1)C1CCCCC1 ZINC000001728654 567842921 /nfs/dbraw/zinc/84/29/21/567842921.db2.gz MRGVKQSSSOCONZ-UHFFFAOYSA-N 0 0 278.480 5.458 50 0 CKAARN Cc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001731561 567842958 /nfs/dbraw/zinc/84/29/58/567842958.db2.gz AYDRLTKKUTUIMX-UHFFFAOYSA-N 0 0 268.359 5.564 50 0 CKAARN Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000001737741 567843007 /nfs/dbraw/zinc/84/30/07/567843007.db2.gz XLVXYKCXPXIGEB-UHFFFAOYSA-N 0 0 296.373 5.272 50 0 CKAARN Cc1ccc(NC(=O)Oc2cc(C)ccc2C(C)C)cc1 ZINC000001751343 567932092 /nfs/dbraw/zinc/93/20/92/567932092.db2.gz RLGJUNMGZWGDIS-UHFFFAOYSA-N 0 0 283.371 5.038 50 0 CKAARN CNc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C ZINC000001751890 567843004 /nfs/dbraw/zinc/84/30/04/567843004.db2.gz GFTNLYGZUUPSSM-UHFFFAOYSA-N 0 0 275.480 5.621 50 0 CKAARN C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001758809 567843039 /nfs/dbraw/zinc/84/30/39/567843039.db2.gz MKYQPGPNVYRMHI-UHFFFAOYSA-N 0 0 256.348 5.276 50 0 in-vitro CKAARN O=C1[C@H](C2CCCCC2)CCC[C@H]1C1CCCCC1 ZINC000001764645 567843373 /nfs/dbraw/zinc/84/33/73/567843373.db2.gz BQTZXRJQXMPUHY-IRXDYDNUSA-N 0 0 262.437 5.132 50 0 in-vitro CKAARN O=C1[C@@H](C2CCCCC2)CCC[C@@H]1C1CCCCC1 ZINC000001764646 567843448 /nfs/dbraw/zinc/84/34/48/567843448.db2.gz BQTZXRJQXMPUHY-IAGOWNOFSA-N 0 0 262.437 5.132 50 0 in-vitro CKAARN Oc1c2ccccc2ccc1-c1ccc2ccccc2c1O ZINC000001764652 567843521 /nfs/dbraw/zinc/84/35/21/567843521.db2.gz AGUJUBACOOIWDV-UHFFFAOYSA-N 0 0 286.330 5.071 50 0 CKAARN O=C1CCCCCCCCCC[C@H]1Sc1ccccc1 ZINC000001767863 570268928 /nfs/dbraw/zinc/26/89/28/570268928.db2.gz XXVUAQSDXPMMDV-GOSISDBHSA-N 0 0 290.472 5.631 50 0 CKAARN CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000001785873 326795574 /nfs/dbraw/zinc/79/55/74/326795574.db2.gz OPEKHRGERHDLRK-UHFFFAOYSA-N 0 0 281.443 6.025 50 0 CKAARN CCCCc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000001808106 567843649 /nfs/dbraw/zinc/84/36/49/567843649.db2.gz HHBNJMAJVBKOJP-UHFFFAOYSA-N 0 0 293.366 5.028 50 0 CKAARN c1ccc(CN(c2ccccc2)c2ccccc2)cc1 ZINC000001845988 567843569 /nfs/dbraw/zinc/84/35/69/567843569.db2.gz FKJARBPQBIATJT-UHFFFAOYSA-N 0 0 259.352 5.025 50 0 CKAARN CC1(C)CCC(C)(C)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000001868467 567843831 /nfs/dbraw/zinc/84/38/31/567843831.db2.gz NABKENULMAEYJW-UHFFFAOYSA-N 0 0 298.514 6.385 50 0 CKAARN CCOc1ccc(C(c2ccc(OCC)cc2)C(C)C)cc1 ZINC000001872013 566970336 /nfs/dbraw/zinc/97/03/36/566970336.db2.gz VMMKCQFUDUUQLY-UHFFFAOYSA-N 0 0 298.426 5.272 50 0 CKAARN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000001872131 290882106 /nfs/dbraw/zinc/88/21/06/290882106.db2.gz ZRVDANDJSTYELM-FXAWDEMLSA-N 0 0 286.459 5.546 50 0 biogenic,in-vitro CKAARN Oc1ccc(C2(c3cccc(Cl)c3)CCCCC2)cc1 ZINC000001905879 566972606 /nfs/dbraw/zinc/97/26/06/566972606.db2.gz PZOKCWMXRLAGTR-UHFFFAOYSA-N 0 0 286.802 5.296 50 0 CKAARN CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000001926207 570214820 /nfs/dbraw/zinc/21/48/20/570214820.db2.gz KRMBVBPNWUBFBC-UHFFFAOYSA-N 0 0 280.455 5.872 50 0 CKAARN CC(C)c1ccccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001952211 570378897 /nfs/dbraw/zinc/37/88/97/570378897.db2.gz FFVKGUSPRSNQEH-ZHACJKMWSA-N 0 0 299.801 5.115 50 0 CKAARN CCCCP(=O)(CCCC)Cc1ccccc1 ZINC000001994636 567843884 /nfs/dbraw/zinc/84/38/84/567843884.db2.gz PEFGTWNVPWGPEY-UHFFFAOYSA-N 0 0 252.338 5.150 50 0 CKAARN Clc1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000002007785 567843959 /nfs/dbraw/zinc/84/39/59/567843959.db2.gz SXHLTVKPNQVZGL-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN Clc1ccc(Cl)c(-c2ccccc2Cl)c1 ZINC000002008000 567844169 /nfs/dbraw/zinc/84/41/69/567844169.db2.gz DCMURXAZTZQAFB-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN Clc1cc(Cl)c(-c2ccccc2)c(Cl)c1 ZINC000002008638 567844082 /nfs/dbraw/zinc/84/40/82/567844082.db2.gz MTLMVEWEYZFYTH-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN Clc1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000002018353 567844241 /nfs/dbraw/zinc/84/42/41/567844241.db2.gz VAHKBZSAUKPEOV-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN Clc1cc(Cl)c(-c2ccccc2)cc1Cl ZINC000002018638 567844076 /nfs/dbraw/zinc/84/40/76/567844076.db2.gz VGVIKVCCUATMNG-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN C(=C/c1ccc(-c2ccccc2)cc1)\c1ccccc1 ZINC000002022118 566979370 /nfs/dbraw/zinc/97/93/70/566979370.db2.gz RTCXQMFXAWOHKN-VAWYXSNFSA-N 0 0 256.348 5.524 50 0 CKAARN CCCCCCOc1ccc(-c2ccccc2)cc1 ZINC000002022874 567844188 /nfs/dbraw/zinc/84/41/88/567844188.db2.gz WXCWDAITWLXDFA-UHFFFAOYSA-N 0 0 254.373 5.313 50 0 CKAARN CCCCCCOc1ccc(C2=CC[C@@H](C)CC2)cc1 ZINC000002022877 567844196 /nfs/dbraw/zinc/84/41/96/567844196.db2.gz IGWZJKCDNZUGBU-MRXNPFEDSA-N 0 0 272.432 5.849 50 0 CKAARN CCCCCCOc1ccc(C2=CC[C@H](C)CC2)cc1 ZINC000002022878 567844012 /nfs/dbraw/zinc/84/40/12/567844012.db2.gz IGWZJKCDNZUGBU-INIZCTEOSA-N 0 0 272.432 5.849 50 0 CKAARN CCCCOc1ccc(C2CCC(CCC)CC2)cc1 ZINC000002022880 567844237 /nfs/dbraw/zinc/84/42/37/567844237.db2.gz BPVJENLMEMWFBW-UHFFFAOYSA-N 0 0 274.448 5.939 50 0 CKAARN CCCCCC1CCC(c2ccc(OC)cc2)CC1 ZINC000002022882 169768607 /nfs/dbraw/zinc/76/86/07/169768607.db2.gz YZEXUPSVZPXFON-UHFFFAOYSA-N 0 0 260.421 5.549 50 0 CKAARN CCCCCOc1ccc(Br)c2ccccc12 ZINC000002022969 169768692 /nfs/dbraw/zinc/76/86/92/169768692.db2.gz KYPCMXGRSDALTK-UHFFFAOYSA-N 0 0 293.204 5.171 50 0 CKAARN Brc1cccc(/C=C/C=C/c2ccccc2)c1 ZINC000002022978 567844138 /nfs/dbraw/zinc/84/41/38/567844138.db2.gz GUXYEAAAXSXYHR-LUZURFALSA-N 0 0 285.184 5.176 50 0 CKAARN CC(C)c1cc(C(C)C)c(Br)c(C(C)C)c1 ZINC000002023188 567844228 /nfs/dbraw/zinc/84/42/28/567844228.db2.gz FUMMYHVKFAHQST-UHFFFAOYSA-N 0 0 283.253 5.819 50 0 CKAARN CCCCCCc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000002023212 169768513 /nfs/dbraw/zinc/76/85/13/169768513.db2.gz DOWSBHGHUBOLRX-UHFFFAOYSA-N 0 0 295.426 5.370 50 0 CKAARN CCSc1ccc(-c2ccc(SCC)cc2)cc1 ZINC000002023308 570372107 /nfs/dbraw/zinc/37/21/07/570372107.db2.gz JGXMNYLRFCYSJM-UHFFFAOYSA-N 0 0 274.454 5.578 50 0 CKAARN Brc1ccc(/C=C/C=C/c2ccccc2)cc1 ZINC000002023355 567844050 /nfs/dbraw/zinc/84/40/50/567844050.db2.gz RKQQXHJNZBTMQZ-KBXRYBNXSA-N 0 0 285.184 5.176 50 0 CKAARN c1ccc(Sc2cccc(Sc3ccccc3)n2)cc1 ZINC000002023561 567844060 /nfs/dbraw/zinc/84/40/60/567844060.db2.gz SKZQLYFDVFCNHA-UHFFFAOYSA-N 0 0 295.432 5.384 50 0 CKAARN CCCCc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000002023781 567844145 /nfs/dbraw/zinc/84/41/45/567844145.db2.gz ZDOKWNFYBDMIRU-UHFFFAOYSA-N 0 0 288.394 5.153 50 0 CKAARN Cc1cc2c([nH]c(-c3ccccc3)c2-c2ccccc2)c(C)c1 ZINC000002025695 570358573 /nfs/dbraw/zinc/35/85/73/570358573.db2.gz TYPFYAGTGRDXDR-UHFFFAOYSA-N 0 0 297.401 6.119 50 0 CKAARN C(=C/c1cccc(/C=C/c2ccccc2)c1)\c1ccccc1 ZINC000002025922 567844071 /nfs/dbraw/zinc/84/40/71/567844071.db2.gz BJZZCHRYTNIBCS-YXLFCKQPSA-N 0 0 282.386 6.027 50 0 CKAARN C(=C/c1cccc2ccccc12)\c1cccc2ccccc12 ZINC000002026006 567844001 /nfs/dbraw/zinc/84/40/01/567844001.db2.gz REPGVFBGPZJLJD-FOCLMDBBSA-N 0 0 280.370 6.163 50 0 CKAARN CCCCC1CCC(c2nnc(-c3ccccc3C)o2)CC1 ZINC000002026824 169769256 /nfs/dbraw/zinc/76/92/56/169769256.db2.gz DISOGSQCLDVDDI-UHFFFAOYSA-N 0 0 298.430 5.509 50 0 CKAARN Clc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000002029667 567844249 /nfs/dbraw/zinc/84/42/49/567844249.db2.gz BZTYNSQSZHARAZ-UHFFFAOYSA-N 0 0 257.547 5.314 50 0 CKAARN COc1ccc(C2(c3cccc(F)c3)CCCCC2)cc1 ZINC000002030771 566985513 /nfs/dbraw/zinc/98/55/13/566985513.db2.gz XGJUNOAHZRLANZ-UHFFFAOYSA-N 0 0 284.374 5.085 50 0 CKAARN CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000002039214 567844058 /nfs/dbraw/zinc/84/40/58/567844058.db2.gz LGZZJTIUEJNNKV-UHFFFAOYSA-N 0 0 296.433 5.676 50 0 CKAARN CCCc1ccc(-c2ccc(-c3ccccc3)cc2F)cc1 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C[C@H]1CC[C@@](C)(C(=O)c2cccc3ccccc32)C1(C)C ZINC000003845909 567853867 /nfs/dbraw/zinc/85/38/67/567853867.db2.gz OBHBXWWQIXWGFQ-XOBRGWDASA-N 0 0 280.411 5.485 50 0 CKAARN C[C@@H]1CC[C@](C)(C(=O)c2cccc3ccccc32)C1(C)C ZINC000003845910 567853959 /nfs/dbraw/zinc/85/39/59/567853959.db2.gz OBHBXWWQIXWGFQ-JLTOFOAXSA-N 0 0 280.411 5.485 50 0 CKAARN C[C@H]1CC[C@](C)(C(=O)c2cccc3ccccc32)C1(C)C ZINC000003845911 567853981 /nfs/dbraw/zinc/85/39/81/567853981.db2.gz OBHBXWWQIXWGFQ-VBKZILBWSA-N 0 0 280.411 5.485 50 0 CKAARN c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000003846237 567854091 /nfs/dbraw/zinc/85/40/91/567854091.db2.gz AXRVRVKZFJPHBH-UHFFFAOYSA-N 0 0 296.373 5.206 50 0 CKAARN CC(C)CCN1c2ccccc2Sc2ccccc21 ZINC000003847086 567853844 /nfs/dbraw/zinc/85/38/44/567853844.db2.gz IGZGUKHCPYREMR-UHFFFAOYSA-N 0 0 269.413 5.335 50 0 CKAARN CC(C)(C)c1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1 ZINC000003847092 567853828 /nfs/dbraw/zinc/85/38/28/567853828.db2.gz OSICDPWAPKXXHT-UHFFFAOYSA-N 0 0 275.436 5.977 50 0 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285.390 5.294 50 0 CKAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000003852515 567854046 /nfs/dbraw/zinc/85/40/46/567854046.db2.gz ZXBKACYTQXFSBP-NHCUHLMSSA-N 0 0 285.390 5.294 50 0 CKAARN C/C(=C\CO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000003861087 567854194 /nfs/dbraw/zinc/85/41/94/567854194.db2.gz BOTWFXYSPFMFNR-PYDDKJGSSA-N 0 0 296.539 6.364 50 0 endogenous,in-man CKAARN C/C(=C\CO)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000003861088 169917338 /nfs/dbraw/zinc/91/73/38/169917338.db2.gz BOTWFXYSPFMFNR-NBOAAFDKSA-N 0 0 296.539 6.364 50 0 biogenic,in-vitro CKAARN C/C(=C\CO)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000003861089 567854222 /nfs/dbraw/zinc/85/42/22/567854222.db2.gz BOTWFXYSPFMFNR-IHKHCKEISA-N 0 0 296.539 6.364 50 0 biogenic,in-vitro CKAARN C/C(=C\CO)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000003861090 169917487 /nfs/dbraw/zinc/91/74/87/169917487.db2.gz BOTWFXYSPFMFNR-PFIWFTBQSA-N 0 0 296.539 6.364 50 0 biogenic,in-vitro CKAARN O=C1CCCCCCCCCCCCCCCO1 ZINC000003875762 566960997 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Clc1ccc(Nc2nc3ccccc3s2)cc1Cl ZINC000003885645 260013395 /nfs/dbraw/zinc/01/33/95/260013395.db2.gz DWSXBYLHFRVNOS-UHFFFAOYSA-N 0 0 295.194 5.347 50 0 CKAARN Cc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(C)cc2)cc1 ZINC000003885983 260013588 /nfs/dbraw/zinc/01/35/88/260013588.db2.gz RSZJNDGSQUBMTF-UHFFFAOYSA-N 0 0 280.396 5.023 50 0 CKAARN CC[C@@H](C)c1ccc2nc(NCc3ccccc3)sc2c1 ZINC000003887699 567854407 /nfs/dbraw/zinc/85/44/07/567854407.db2.gz LARGFCLCVXPUDZ-CYBMUJFWSA-N 0 0 296.439 5.422 50 0 CKAARN Clc1cc(-c2nc3ccccc3s2)c2ccccc2n1 ZINC000003887798 567854404 /nfs/dbraw/zinc/85/44/04/567854404.db2.gz RJCRXSRFDZPKAL-UHFFFAOYSA-N 0 0 296.782 5.165 50 0 CKAARN COc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000003892584 570379003 /nfs/dbraw/zinc/37/90/03/570379003.db2.gz VOOUVUPYMAYLRE-UHFFFAOYSA-N 0 0 292.422 5.316 50 0 CKAARN C(=C/c1ccccc1)\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000003894789 567854383 /nfs/dbraw/zinc/85/43/83/567854383.db2.gz FOFDUOMDOUWBAI-SDNWHVSQSA-N 0 0 297.357 5.665 50 0 CKAARN CCOc1ccc(C2(c3cccc(F)c3)CCCC2)cc1 ZINC000003897082 566843633 /nfs/dbraw/zinc/84/36/33/566843633.db2.gz CDEQGEVIKFFUBE-UHFFFAOYSA-N 0 0 284.374 5.085 50 0 CKAARN c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000003898319 567854183 /nfs/dbraw/zinc/85/41/83/567854183.db2.gz FGCZQOHSWGMVPN-NRFANRHFSA-N 0 0 298.389 5.042 50 0 CKAARN c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000003898320 169922218 /nfs/dbraw/zinc/92/22/18/169922218.db2.gz FGCZQOHSWGMVPN-OAQYLSRUSA-N 0 0 298.389 5.042 50 0 CKAARN CCc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)nc1 ZINC000003899389 529574819 /nfs/dbraw/zinc/57/48/19/529574819.db2.gz GXVLUZKLUFKTKI-UHFFFAOYSA-N 0 0 293.454 5.995 50 0 CKAARN c1ccc([C@H]2CCC[C@H](c3ccccc3)S2)cc1 ZINC000003900149 570379039 /nfs/dbraw/zinc/37/90/39/570379039.db2.gz WGVHOPHBSLEVFP-IAGOWNOFSA-N 0 0 254.398 5.386 50 0 CKAARN c1ccc([C@@H]2CCC[C@@H](c3ccccc3)S2)cc1 ZINC000003900150 169922480 /nfs/dbraw/zinc/92/24/80/169922480.db2.gz WGVHOPHBSLEVFP-IRXDYDNUSA-N 0 0 254.398 5.386 50 0 CKAARN CCCCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000003904646 567854111 /nfs/dbraw/zinc/85/41/11/567854111.db2.gz MORLWKKIQMIPGB-BUHFOSPRSA-N 0 0 276.383 5.007 50 0 CKAARN CC(C)CCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000003904647 169923336 /nfs/dbraw/zinc/92/33/36/169923336.db2.gz KADXTVYOLIZYFU-OUKQBFOZSA-N 0 0 290.410 5.253 50 0 CKAARN CC[C@@H](C)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000003904660 570329016 /nfs/dbraw/zinc/32/90/16/570329016.db2.gz XZHYFQUKEOJHPN-FIFPYPGSSA-N 0 0 290.410 5.253 50 0 CKAARN CC[C@H](C)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000003904661 169923325 /nfs/dbraw/zinc/92/33/25/169923325.db2.gz XZHYFQUKEOJHPN-VUSFMPOISA-N 0 0 290.410 5.253 50 0 CKAARN Cc1ccc(Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000003911592 570329001 /nfs/dbraw/zinc/32/90/01/570329001.db2.gz UJVGPRGXXHCCCR-UHFFFAOYSA-N 0 0 299.377 5.053 50 0 CKAARN CCCCc1ccc(Nc2nccc3ccccc32)cc1 ZINC000003953789 567854644 /nfs/dbraw/zinc/85/46/44/567854644.db2.gz NAESILSZBYVTSN-UHFFFAOYSA-N 0 0 276.383 5.321 50 0 CKAARN C(=C/c1cccc(/C=C/c2ccccc2)n1)\c1ccccc1 ZINC000003998969 567182276 /nfs/dbraw/zinc/18/22/76/567182276.db2.gz GFUKPDBFDRKRRO-YXLFCKQPSA-N 0 0 283.374 5.422 50 0 CKAARN Cc1cccc2c1N[C@@H]1C(C)(C)C=C3[C@]1(C)[C@@H]2CCC3(C)C ZINC000003999005 567182262 /nfs/dbraw/zinc/18/22/62/567182262.db2.gz SGNZMMCMOYKCHQ-FPDPHYFHSA-N 0 0 295.470 5.665 50 0 CKAARN CC(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000003999848 567181676 /nfs/dbraw/zinc/18/16/76/567181676.db2.gz DUTFIRITRQQZGU-UKTHLTGXSA-N 0 0 273.379 5.529 50 0 CKAARN Fc1ccc(/C=C/c2nccc3c4ccccc4[nH]c32)cc1 ZINC000004000133 567181630 /nfs/dbraw/zinc/18/16/30/567181630.db2.gz LHFFBPNRYGCADA-JXMROGBWSA-N 0 0 288.325 5.026 50 0 CKAARN Clc1cccc(Cl)c1/C=C/c1nc2ccccc2[nH]1 ZINC000004002570 570384357 /nfs/dbraw/zinc/38/43/57/570384357.db2.gz DDSJNCADPJQCOX-CMDGGOBGSA-N 0 0 289.165 5.040 50 0 CKAARN Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000004002700 169928490 /nfs/dbraw/zinc/92/84/90/169928490.db2.gz ZUMIBXPTGMOQDK-SOFGYWHQSA-N 0 0 289.165 5.040 50 0 aggregator CKAARN Cc1oc(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000004006720 567854603 /nfs/dbraw/zinc/85/46/03/567854603.db2.gz WJNRRRYFIDMPLZ-UHFFFAOYSA-N 0 0 293.410 5.118 50 0 CKAARN c1c2ccccc2oc1C1c2ccccc2Oc2ccccc21 ZINC000004016038 326809229 /nfs/dbraw/zinc/80/92/29/326809229.db2.gz JPXCPRDDZQVMSB-UHFFFAOYSA-N 0 0 298.341 5.719 50 0 CKAARN c1ccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)cc1 ZINC000004023132 567184935 /nfs/dbraw/zinc/18/49/35/567184935.db2.gz LPIUFHIVFBMKNS-ZSYWTGECSA-N 0 0 268.400 5.043 50 0 CKAARN c1ccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@H]32)cc1 ZINC000004023133 184528634 /nfs/dbraw/zinc/52/86/34/184528634.db2.gz LPIUFHIVFBMKNS-RDGPPVDQSA-N 0 0 268.400 5.043 50 0 CKAARN c1ccc([C@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)cc1 ZINC000004023134 184528443 /nfs/dbraw/zinc/52/84/43/184528443.db2.gz LPIUFHIVFBMKNS-CADBVGFASA-N 0 0 268.400 5.043 50 0 CKAARN c1ccc([C@@H]2O[C@H]3CCCC[C@H]3C3=CCCC[C@@H]32)cc1 ZINC000004023135 184528354 /nfs/dbraw/zinc/52/83/54/184528354.db2.gz 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COc1ccc(CNc2cc(C)cc(C)c2)c2ccccc12 ZINC000004309372 567938140 /nfs/dbraw/zinc/93/81/40/567938140.db2.gz MNWGPLKYQLZIQL-UHFFFAOYSA-N 0 0 291.394 5.077 50 0 CKAARN c1ccc(C2C3=C(CCCC3)SC3=C2CCCC3)cc1 ZINC000004313290 336187430 /nfs/dbraw/zinc/18/74/30/336187430.db2.gz WQQJYAFILMPRIN-UHFFFAOYSA-N 0 0 282.452 6.173 50 0 CKAARN Cc1ccc(C)c2sc(-c3nc4ccccc4s3)nc21 ZINC000004318803 533718941 /nfs/dbraw/zinc/71/89/41/533718941.db2.gz YFDCZMYREYOICR-UHFFFAOYSA-N 0 0 296.420 5.190 50 0 CKAARN c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)cc1 ZINC000004334813 169958430 /nfs/dbraw/zinc/95/84/30/169958430.db2.gz PZRXQNCXDUBZHC-UHFFFAOYSA-N 0 0 296.373 5.274 50 0 CKAARN COc1cccc2ccc(/C=C/c3cccc(Cl)c3)nc21 ZINC000004362114 567856931 /nfs/dbraw/zinc/85/69/31/567856931.db2.gz AOCBGPAPXZLOAI-CSKARUKUSA-N 0 0 295.769 5.067 50 0 CKAARN COc1cccc2ccc(/C=C/c3ccc(Cl)cc3)nc21 ZINC000004362117 567857111 /nfs/dbraw/zinc/85/71/11/567857111.db2.gz NJRRCFSSXWJARD-YRNVUSSQSA-N 0 0 295.769 5.067 50 0 CKAARN Clc1ccc(/C=C\c2ccc3ccccc3n2)cc1 ZINC000004365451 567864065 /nfs/dbraw/zinc/86/40/65/567864065.db2.gz PWZHLFSCFYMSMR-XFFZJAGNSA-N 0 0 265.743 5.059 50 0 CKAARN O=C1c2cccc3cccc(c32)-c2c3ccccc3ccc21 ZINC000004368253 567857011 /nfs/dbraw/zinc/85/70/11/567857011.db2.gz DGQYORXOISCXDO-UHFFFAOYSA-N 0 0 280.326 5.204 50 0 CKAARN O=C(CCC1CCCC1)Nc1ccccc1-c1ccccc1 ZINC000004378985 567857401 /nfs/dbraw/zinc/85/74/01/567857401.db2.gz XOZIVFWTMYSICP-UHFFFAOYSA-N 0 0 293.410 5.263 50 0 CKAARN Cc1nc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cs1 ZINC000004390766 567857403 /nfs/dbraw/zinc/85/74/03/567857403.db2.gz LSCSVJUMULOSMG-UHFFFAOYSA-N 0 0 285.456 5.468 50 0 CKAARN CCCCCC[C@H](O)CCCCCCCCCCCO ZINC000004416057 567857510 /nfs/dbraw/zinc/85/75/10/567857510.db2.gz KHLCTMQBMINUNT-SFHVURJKSA-N 0 0 286.500 5.211 50 0 CKAARN CC(C)c1ccc(-c2csc3ncnc(Cl)c23)cc1 ZINC000004426056 567058012 /nfs/dbraw/zinc/05/80/12/567058012.db2.gz QZEQDNHISUGGHI-UHFFFAOYSA-N 0 0 288.803 5.135 50 0 CKAARN CCc1ccc(-c2ccc3c4ccccc4cc-3o2)cc1 ZINC000004452666 567857695 /nfs/dbraw/zinc/85/76/95/567857695.db2.gz LIYZUTMDLJCCEI-UHFFFAOYSA-N 0 0 272.347 5.767 50 0 CKAARN Clc1cc(/C=C\c2ccccc2)c(Br)s1 ZINC000004472603 567938285 /nfs/dbraw/zinc/93/82/85/567938285.db2.gz XDIPLHAXBRLVLN-SREVYHEPSA-N 0 0 299.620 5.334 50 0 CKAARN CSc1cc(/C=C\c2csc(Cl)c2)cs1 ZINC000004472604 567938410 /nfs/dbraw/zinc/93/84/10/567938410.db2.gz RWTNIFUNFSMLFH-IHWYPQMZSA-N 0 0 272.847 5.355 50 0 CKAARN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC ZINC000004501378 567857837 /nfs/dbraw/zinc/85/78/37/567857837.db2.gz WTTJVINHCBCLGX-NQLNTKRDSA-N 0 0 294.479 5.973 50 0 biogenic,in-vitro CKAARN CC(C)c1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2 ZINC000004516855 567857595 /nfs/dbraw/zinc/85/75/95/567857595.db2.gz DIBJGOCHXJJHIV-KKXDTOCCSA-N 0 0 299.439 5.116 50 0 CKAARN c1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000004520900 567857820 /nfs/dbraw/zinc/85/78/20/567857820.db2.gz BRIKLJCDBBFRAE-UHFFFAOYSA-N 0 0 269.347 5.298 50 0 CKAARN Clc1ccccc1/C=C\c1ccc2ccccc2n1 ZINC000004522317 567857859 /nfs/dbraw/zinc/85/78/59/567857859.db2.gz XJNACXPBUBLQAH-LUAWRHEFSA-N 0 0 265.743 5.059 50 0 CKAARN CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC ZINC000004529320 560198469 /nfs/dbraw/zinc/19/84/69/560198469.db2.gz JFRWATCOFCPIBM-JPFHKJGASA-N 0 0 292.463 5.749 50 0 in-vitro CKAARN c1ccc([C@@H]2c3ccccc3-c3[nH]c4ccccc4c32)cc1 ZINC000004532517 567858139 /nfs/dbraw/zinc/85/81/39/567858139.db2.gz QKYVAHSZMYFROW-LJQANCHMSA-N 0 0 281.358 5.329 50 0 CKAARN c1ccc([C@H]2c3ccccc3-c3[nH]c4ccccc4c32)cc1 ZINC000004532518 567858218 /nfs/dbraw/zinc/85/82/18/567858218.db2.gz QKYVAHSZMYFROW-IBGZPJMESA-N 0 0 281.358 5.329 50 0 CKAARN Fc1c2cccc1CSCc1ccc(cc1)CSC2 ZINC000004533090 169978534 /nfs/dbraw/zinc/97/85/34/169978534.db2.gz KULJGBGLNPIAHO-UHFFFAOYSA-N 0 0 290.428 5.006 50 0 CKAARN C(=C\c1ccc2ccccc2n1)\c1cc2ccccc2s1 ZINC000004533217 169978884 /nfs/dbraw/zinc/97/88/84/169978884.db2.gz BSCKHKVUCAFICJ-QXMHVHEDSA-N 0 0 287.387 5.620 50 0 CKAARN CO[C@](C)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000004533367 169979749 /nfs/dbraw/zinc/97/97/49/169979749.db2.gz LYVIVARUYGEBNN-OAQYLSRUSA-N 0 0 288.390 5.264 50 0 CKAARN Fc1cc2cc(c1)CSCc1ccc(cc1)CSC2 ZINC000004533383 570332009 /nfs/dbraw/zinc/33/20/09/570332009.db2.gz UDOOVERTDOSWRF-UHFFFAOYSA-N 0 0 290.428 5.006 50 0 CKAARN c1coc(-c2cc(-c3ccccc3)nnc2-c2ccccc2)c1 ZINC000004539317 570224493 /nfs/dbraw/zinc/22/44/93/570224493.db2.gz GYOQJGFNZAMIIW-UHFFFAOYSA-N 0 0 298.345 5.071 50 0 CKAARN CCC(CC)Nc1cc(-c2cccs2)nc2ccccc21 ZINC000004542566 566910098 /nfs/dbraw/zinc/91/00/98/566910098.db2.gz KJTVELBQRRMOCD-UHFFFAOYSA-N 0 0 296.439 5.564 50 0 CKAARN CCCCCC[C@@H](O)CCCCCCCCCCCO ZINC000004546721 567858347 /nfs/dbraw/zinc/85/83/47/567858347.db2.gz KHLCTMQBMINUNT-GOSISDBHSA-N 0 0 286.500 5.211 50 0 CKAARN CC(C)(C)c1ccc(Oc2ccc(N)c(Cl)c2)cc1 ZINC000004553959 567870120 /nfs/dbraw/zinc/87/01/20/567870120.db2.gz ZYTBYMLOVAPNNS-UHFFFAOYSA-N 0 0 275.779 5.012 50 0 CKAARN CCCCC/C=C\C/C=C\CCCCCCCCO ZINC000004556692 560198596 /nfs/dbraw/zinc/19/85/96/560198596.db2.gz JXNPEDYJTDQORS-HZJYTTRNSA-N 0 0 266.469 5.792 50 0 in-vitro CKAARN CCCCC/C=C\C/C=C\C/C=C\CCCCCO ZINC000004556713 567858209 /nfs/dbraw/zinc/85/82/09/567858209.db2.gz WFYSUQMCIPGKKK-QNEBEIHSSA-N 0 0 264.453 5.568 50 0 CKAARN CC[C@@H](C)CCCCCCCCCCC(=O)OC ZINC000004556952 567858348 /nfs/dbraw/zinc/85/83/48/567858348.db2.gz BJIUDNXPLSJWKE-OAHLLOKOSA-N 0 0 256.430 5.107 50 0 biogenic,in-vitro CKAARN CC[C@H](C)CCCCCCCCCCC(=O)OC ZINC000004556953 169983514 /nfs/dbraw/zinc/98/35/14/169983514.db2.gz BJIUDNXPLSJWKE-HNNXBMFYSA-N 0 0 256.430 5.107 50 0 CKAARN COC(=O)CCCCCCCCCCCC(C)C ZINC000004557095 567857999 /nfs/dbraw/zinc/85/79/99/567857999.db2.gz OGGUSDOXMVVCIX-UHFFFAOYSA-N 0 0 256.430 5.107 50 0 CKAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000004557279 169983491 /nfs/dbraw/zinc/98/34/91/169983491.db2.gz WXXPVIWKXPQANJ-AWEZNQCLSA-N 0 0 254.373 5.124 50 0 CKAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000004557280 169983531 /nfs/dbraw/zinc/98/35/31/169983531.db2.gz WXXPVIWKXPQANJ-CQSZACIVSA-N 0 0 254.373 5.124 50 0 CKAARN COc1ccccc1-c1cccc2c3ccccc3oc21 ZINC000004557325 567858146 /nfs/dbraw/zinc/85/81/46/567858146.db2.gz GKCBLTXEXFARRD-UHFFFAOYSA-N 0 0 274.319 5.262 50 0 CKAARN Cc1cccc2c1N[C@@H]1C(C)(C)C=C3[C@@]1(C)[C@@H]2CCC3(C)C ZINC000004562257 567870640 /nfs/dbraw/zinc/87/06/40/567870640.db2.gz SGNZMMCMOYKCHQ-FQELHTAISA-N 0 0 295.470 5.665 50 0 CKAARN O=C(c1c[nH]cc1-c1ccccc1)c1cccc2ccccc21 ZINC000004568147 169984800 /nfs/dbraw/zinc/98/48/00/169984800.db2.gz ZTRVDMWZASRBBU-UHFFFAOYSA-N 0 0 297.357 5.066 50 0 CKAARN Cc1c2cccc1CSCc1ccc(cc1)CSC2 ZINC000004569617 566863309 /nfs/dbraw/zinc/86/33/09/566863309.db2.gz QYMOYWOLXMBWCO-UHFFFAOYSA-N 0 0 286.465 5.175 50 0 CKAARN CC(C)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21 ZINC000004575356 169985859 /nfs/dbraw/zinc/98/58/59/169985859.db2.gz WMVAFPPNVFKNLP-FMIVXFBMSA-N 0 0 294.373 5.002 50 0 CKAARN CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004577579 567858342 /nfs/dbraw/zinc/85/83/42/567858342.db2.gz HEXJOZGCQASJOM-UHFFFAOYSA-N 0 0 288.390 5.015 50 0 CKAARN CC(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004577860 567858205 /nfs/dbraw/zinc/85/82/05/567858205.db2.gz MEFMGZYOEXIETJ-UHFFFAOYSA-N 0 0 295.426 5.360 50 0 CKAARN CCCCCCC(=O)CCC[C@@H](C)CCCC(C)C ZINC000004578305 567858202 /nfs/dbraw/zinc/85/82/02/567858202.db2.gz KHTCFGAGGCGUBB-KRWDZBQOSA-N 0 0 268.485 6.159 50 0 CKAARN CCCCCCC(=O)CCC[C@H](C)CCCC(C)C ZINC000004578307 567858197 /nfs/dbraw/zinc/85/81/97/567858197.db2.gz KHTCFGAGGCGUBB-QGZVFWFLSA-N 0 0 268.485 6.159 50 0 CKAARN CCCCCOP(=O)(CCCCC)OCCCCC ZINC000004578940 567858298 /nfs/dbraw/zinc/85/82/98/567858298.db2.gz QMOMLBXAJYQNCP-UHFFFAOYSA-N 0 0 292.400 5.783 50 0 CKAARN CCCCC/C(=C\c1ccccc1)C(OCC)OCC ZINC000004582592 566912199 /nfs/dbraw/zinc/91/21/99/566912199.db2.gz MPKOLWUWOADQCX-BMRADRMJSA-N 0 0 276.420 5.049 50 0 CKAARN CC[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004582936 566912086 /nfs/dbraw/zinc/91/20/86/566912086.db2.gz CVPIIXFZNPKANT-UFYCRDLUSA-N 0 0 298.555 6.587 50 0 CKAARN CC[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004582938 566911083 /nfs/dbraw/zinc/91/10/83/566911083.db2.gz CVPIIXFZNPKANT-ZCNNSNEGSA-N 0 0 298.555 6.587 50 0 CKAARN c1csc(CNc2ccc3c(c2)oc2ccccc23)c1 ZINC000004622007 567858616 /nfs/dbraw/zinc/85/86/16/567858616.db2.gz IJRJRSQIDBORNR-UHFFFAOYSA-N 0 0 279.364 5.260 50 0 CKAARN Fc1ccc(CNc2ccc3c(c2)oc2ccccc23)cc1 ZINC000004622009 567858492 /nfs/dbraw/zinc/85/84/92/567858492.db2.gz PKOQGYZFMOEAKJ-UHFFFAOYSA-N 0 0 291.325 5.337 50 0 CKAARN Fc1ccccc1CNc1ccc2c(c1)oc1ccccc12 ZINC000004622050 567858436 /nfs/dbraw/zinc/85/84/36/567858436.db2.gz VUWBESKEOZRXIB-UHFFFAOYSA-N 0 0 291.325 5.337 50 0 CKAARN Cc1ccc(N[C@H]2C[C@@H](C)Nc3c(C)cc(C)cc32)c(C)c1 ZINC000004622061 567894295 /nfs/dbraw/zinc/89/42/95/567894295.db2.gz GCUPXHOUODEXDQ-APWZRJJASA-N 0 0 294.442 5.278 50 0 CKAARN C[C@@H]1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc2N1 ZINC000004622134 567858539 /nfs/dbraw/zinc/85/85/39/567858539.db2.gz DBZQIUDMWHINEO-BZNIZROVSA-N 0 0 289.831 5.378 50 0 CKAARN CCCCC(=O)[C@H](CCC)C12CC3CC(CC(C3)C1)C2 ZINC000004625167 567894898 /nfs/dbraw/zinc/89/48/98/567894898.db2.gz QOXSCGSZICRGQZ-WCWCZOKXSA-N 0 0 276.464 5.378 50 0 CKAARN CC1(C)CCC2=C1CC[C@@H]1[C@@H]2CCC2=CC(=O)CC[C@]21C ZINC000004655320 566869770 /nfs/dbraw/zinc/86/97/70/566869770.db2.gz SPKAUGWCKWXQFM-XFQXTVEOSA-N 0 0 284.443 5.219 50 0 CKAARN CC1(C)CCC2=C1CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@]21C ZINC000004655322 566869905 /nfs/dbraw/zinc/86/99/05/566869905.db2.gz SPKAUGWCKWXQFM-QKYXUNIQSA-N 0 0 284.443 5.219 50 0 CKAARN Cc1ccc(SCc2ccc(Br)cc2)cc1 ZINC000004656019 567938358 /nfs/dbraw/zinc/93/83/58/567938358.db2.gz MNKKIASUOORQNJ-UHFFFAOYSA-N 0 0 293.229 5.050 50 0 CKAARN CCCC[C@@H](CC)C(=O)Nc1cc(Cl)ccc1Cl ZINC000004659208 169994456 /nfs/dbraw/zinc/99/44/56/169994456.db2.gz RNRHBFNPUMJZMT-SNVBAGLBSA-N 0 0 288.218 5.148 50 0 CKAARN CCCC[C@H](CC)C(=O)Nc1cc(Cl)ccc1Cl ZINC000004659209 169994567 /nfs/dbraw/zinc/99/45/67/169994567.db2.gz RNRHBFNPUMJZMT-JTQLQIEISA-N 0 0 288.218 5.148 50 0 CKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000004666313 567859019 /nfs/dbraw/zinc/85/90/19/567859019.db2.gz AJAARHRLTAWTRL-WBVHZDCISA-N 0 0 295.426 5.332 50 0 CKAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](CC)c1ccccc1 ZINC000004666314 567858797 /nfs/dbraw/zinc/85/87/97/567858797.db2.gz AJAARHRLTAWTRL-RDJZCZTQSA-N 0 0 295.426 5.332 50 0 CKAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](CC)c1ccccc1 ZINC000004666315 567858894 /nfs/dbraw/zinc/85/88/94/567858894.db2.gz AJAARHRLTAWTRL-NVXWUHKLSA-N 0 0 295.426 5.332 50 0 CKAARN CC[C@@H](C(=O)Nc1ccccc1[C@@H](C)CC)c1ccccc1 ZINC000004666316 567858814 /nfs/dbraw/zinc/85/88/14/567858814.db2.gz AJAARHRLTAWTRL-DOTOQJQBSA-N 0 0 295.426 5.332 50 0 CKAARN CC[C@@H](C)c1ccccc1NC(=O)CCCc1ccccc1 ZINC000004666318 169995294 /nfs/dbraw/zinc/99/52/94/169995294.db2.gz VFBRIENRZITWOF-MRXNPFEDSA-N 0 0 295.426 5.162 50 0 CKAARN CC[C@H](C)c1ccccc1NC(=O)CCCc1ccccc1 ZINC000004666319 169995520 /nfs/dbraw/zinc/99/55/20/169995520.db2.gz VFBRIENRZITWOF-INIZCTEOSA-N 0 0 295.426 5.162 50 0 CKAARN c1cc2c(-c3ccccc3)c(-c3ccccc3)c3cccc1n23 ZINC000004666804 169995852 /nfs/dbraw/zinc/99/58/52/169995852.db2.gz CELSCNBPZAWUAB-UHFFFAOYSA-N 0 0 293.369 5.864 50 0 CKAARN Cc1ccc(C2=C3CCC[C@@H]3N=Nc3cc(C)ccc32)cc1 ZINC000004666808 567858830 /nfs/dbraw/zinc/85/88/30/567858830.db2.gz WTQCOAQCKURKQD-SFHVURJKSA-N 0 0 288.394 5.755 50 0 CKAARN Cc1ccc(C2=C3CCC[C@H]3N=Nc3cc(C)ccc32)cc1 ZINC000004666809 567858928 /nfs/dbraw/zinc/85/89/28/567858928.db2.gz WTQCOAQCKURKQD-GOSISDBHSA-N 0 0 288.394 5.755 50 0 CKAARN CCCCC(=O)[C@@H](CCC)C12CC3CC(CC(C3)C1)C2 ZINC000004686984 567901893 /nfs/dbraw/zinc/90/18/93/567901893.db2.gz QOXSCGSZICRGQZ-YMVOSSCXSA-N 0 0 276.464 5.378 50 0 CKAARN CCCC[C@@H](CC)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688990 567901597 /nfs/dbraw/zinc/90/15/97/567901597.db2.gz LTKJJYIRFYNXDE-GFCCVEGCSA-N 0 0 288.262 5.299 50 0 CKAARN CCCC[C@H](CC)C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688991 567901956 /nfs/dbraw/zinc/90/19/56/567901956.db2.gz LTKJJYIRFYNXDE-LBPRGKRZSA-N 0 0 288.262 5.299 50 0 CKAARN Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1Cl ZINC000004699638 170001300 /nfs/dbraw/zinc/00/13/00/170001300.db2.gz PBPHSBMOCLGYAW-UHFFFAOYSA-N 0 0 287.790 5.024 50 0 CKAARN O=C(Nc1ccccc1/C=C\c1ccccc1)c1ccccc1 ZINC000004701183 170001356 /nfs/dbraw/zinc/00/13/56/170001356.db2.gz DXXMITXVJCWSKX-NXVVXOECSA-N 0 0 299.373 5.109 50 0 CKAARN CC[C@@H]1Nc2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)[C@H]1C ZINC000004713903 170003418 /nfs/dbraw/zinc/00/34/18/170003418.db2.gz KPYCVMHJVPEANK-QSFXBCCZSA-N 0 0 294.442 5.297 50 0 CKAARN CC[C@@H]1Nc2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)[C@@H]1C ZINC000004713905 170003774 /nfs/dbraw/zinc/00/37/74/170003774.db2.gz KPYCVMHJVPEANK-BPAFIMBUSA-N 0 0 294.442 5.297 50 0 CKAARN CCC(CC)=C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000004726853 170006480 /nfs/dbraw/zinc/00/64/80/170006480.db2.gz OGSRSXNHMBXRPB-UHFFFAOYSA-N 0 0 296.410 5.326 50 0 CKAARN CCCCCCc1ccc(Nc2ccccc2)cc1O ZINC000004728661 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/nfs/dbraw/zinc/09/28/16/170092816.db2.gz DGWFURDHTNNGCQ-JLHYYAGUSA-N 0 0 277.367 5.296 50 0 CKAARN CC(C)c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000005384803 170092791 /nfs/dbraw/zinc/09/27/91/170092791.db2.gz ZMFHHWZHZQMZNO-UHFFFAOYSA-N 0 0 288.778 5.107 50 0 CKAARN CC(c1ccc([C@@H]2CC23CC3)o1)c1ccc([C@@H]2CC23CC3)o1 ZINC000005384812 170093332 /nfs/dbraw/zinc/09/33/32/170093332.db2.gz XWFQMXAWNXJJKT-KBPBESRZSA-N 0 0 294.394 5.559 50 0 CKAARN CC(c1ccc([C@H]2CC23CC3)o1)c1ccc([C@H]2CC23CC3)o1 ZINC000005384815 170093396 /nfs/dbraw/zinc/09/33/96/170093396.db2.gz XWFQMXAWNXJJKT-ZIAGYGMSSA-N 0 0 294.394 5.559 50 0 CKAARN Cc1ccc(Cl)cc1Nc1cc(C)c2ccccc2n1 ZINC000005394435 170094471 /nfs/dbraw/zinc/09/44/71/170094471.db2.gz GLSJBUNTWQLQBD-UHFFFAOYSA-N 0 0 282.774 5.249 50 0 CKAARN Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000005410781 170095877 /nfs/dbraw/zinc/09/58/77/170095877.db2.gz CMGHZUIDZJHDCX-UHFFFAOYSA-N 0 0 274.363 5.241 50 0 CKAARN CCCCN(CCCC)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005419414 170097143 /nfs/dbraw/zinc/09/71/43/170097143.db2.gz SBIXRCIAUQRFCF-UHFFFAOYSA-N 0 0 289.463 5.027 50 0 CKAARN Cc1ccccc1Nc1ccc(Nc2ccccc2C)cc1 ZINC000005420272 170097133 /nfs/dbraw/zinc/09/71/33/170097133.db2.gz MDZBMZIJIUEQJS-UHFFFAOYSA-N 0 0 288.394 5.791 50 0 CKAARN C[C@@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005443222 170099431 /nfs/dbraw/zinc/09/94/31/170099431.db2.gz MDYLXPDJSIZEGE-HNNXBMFYSA-N 0 0 295.426 5.116 50 0 CKAARN C[C@H](CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005443224 170099414 /nfs/dbraw/zinc/09/94/14/170099414.db2.gz MDYLXPDJSIZEGE-OAHLLOKOSA-N 0 0 295.426 5.116 50 0 CKAARN c1cn(-c2ccc(-c3ccccc3)cc2)c2ccccc12 ZINC000005447417 170100174 /nfs/dbraw/zinc/10/01/74/170100174.db2.gz FODPJEZLOGZUCE-UHFFFAOYSA-N 0 0 269.347 5.298 50 0 CKAARN CCO[C@@H](CC)n1c2ccccc2c2cc(Cl)ccc21 ZINC000005478672 170103616 /nfs/dbraw/zinc/10/36/16/170103616.db2.gz UYVGWMXYSGTTKB-KRWDZBQOSA-N 0 0 287.790 5.393 50 0 CKAARN CCO[C@H](CC)n1c2ccccc2c2cc(Cl)ccc21 ZINC000005478673 170103623 /nfs/dbraw/zinc/10/36/23/170103623.db2.gz UYVGWMXYSGTTKB-QGZVFWFLSA-N 0 0 287.790 5.393 50 0 CKAARN CC(C)(C)c1ccc(Nc2ccc3ccccc3n2)cc1 ZINC000005496789 170104868 /nfs/dbraw/zinc/10/48/68/170104868.db2.gz UVJFPZQOLONGML-UHFFFAOYSA-N 0 0 276.383 5.276 50 0 CKAARN CCCCCC[C@@H](C)Oc1nc2ccccc2s1 ZINC000005502411 567859514 /nfs/dbraw/zinc/85/95/14/567859514.db2.gz UJMGQKKSZAVQGD-GFCCVEGCSA-N 0 0 263.406 5.034 50 0 CKAARN CCCCCC[C@H](C)Oc1nc2ccccc2s1 ZINC000005502438 567859610 /nfs/dbraw/zinc/85/96/10/567859610.db2.gz UJMGQKKSZAVQGD-LBPRGKRZSA-N 0 0 263.406 5.034 50 0 CKAARN CCCCC/C=C/C/C=C/CCCCCCCCO ZINC000005510446 170105767 /nfs/dbraw/zinc/10/57/67/170105767.db2.gz JXNPEDYJTDQORS-AVQMFFATSA-N 0 0 266.469 5.792 50 0 CKAARN Cc1ccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)o1 ZINC000005518866 170107426 /nfs/dbraw/zinc/10/74/26/170107426.db2.gz NUPIIHMQFNSXKG-MDZDMXLPSA-N 0 0 281.380 5.190 50 0 CKAARN Cc1cc2nc(/C=C/c3cccc(F)c3)sc2cc1C ZINC000005519605 170107701 /nfs/dbraw/zinc/10/77/01/170107701.db2.gz DFZGZIYLHPQBKW-VOTSOKGWSA-N 0 0 283.371 5.223 50 0 CKAARN Clc1c2ccccc2sc1Nc1ccccc1Cl ZINC000005523679 170108053 /nfs/dbraw/zinc/10/80/53/170108053.db2.gz SDNAWYZOFOICPK-UHFFFAOYSA-N 0 0 294.206 5.952 50 0 CKAARN Cc1cc2c(cc1C)CSC1(CCCC1)SC2 ZINC000005537892 567932914 /nfs/dbraw/zinc/93/29/14/567932914.db2.gz MTOKAGLFUQMKNC-UHFFFAOYSA-N 0 0 264.459 5.054 50 0 CKAARN CCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000005545420 170111330 /nfs/dbraw/zinc/11/13/30/170111330.db2.gz ISUIXQFAUMJVQQ-FMIVXFBMSA-N 0 0 296.801 5.270 50 0 CKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1CC(C)(C)C ZINC000005545649 170111630 /nfs/dbraw/zinc/11/16/30/170111630.db2.gz LJIGQJVJLGLWPJ-HNNXBMFYSA-N 0 0 292.426 5.234 50 0 CKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1CC(C)(C)C ZINC000005545651 170111697 /nfs/dbraw/zinc/11/16/97/170111697.db2.gz LJIGQJVJLGLWPJ-OAHLLOKOSA-N 0 0 292.426 5.234 50 0 CKAARN Cc1cccc(-c2nc3ccccc3n2CCC(C)C)c1 ZINC000005545671 170111658 /nfs/dbraw/zinc/11/16/58/170111658.db2.gz BRORUWKXGCTBEN-UHFFFAOYSA-N 0 0 278.399 5.058 50 0 CKAARN CCCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000005545681 170111649 /nfs/dbraw/zinc/11/16/49/170111649.db2.gz FQOCKPLVJGQYFT-UHFFFAOYSA-N 0 0 292.426 5.044 50 0 CKAARN CC(C)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000005547705 170111473 /nfs/dbraw/zinc/11/14/73/170111473.db2.gz QMZCCDHTHVQEBJ-UHFFFAOYSA-N 0 0 284.790 5.013 50 0 CKAARN Cc1cc2c(o1)-c1c3cc(C)ccc3oc1CC[C@@H]2C ZINC000005547793 170111709 /nfs/dbraw/zinc/11/17/09/170111709.db2.gz XHIDRXMOSNOEGD-NSHDSACASA-N 0 0 266.340 5.359 50 0 CKAARN Cc1cc2c(o1)-c1c3cc(C)ccc3oc1CC[C@H]2C ZINC000005547795 170111545 /nfs/dbraw/zinc/11/15/45/170111545.db2.gz XHIDRXMOSNOEGD-LLVKDONJSA-N 0 0 266.340 5.359 50 0 CKAARN Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000005553029 170112508 /nfs/dbraw/zinc/11/25/08/170112508.db2.gz CIKKBGFMANUVLD-UHFFFAOYSA-N 0 0 298.455 5.236 50 0 CKAARN COc1ccc(/C=C/c2nc3cc(C)c(C)cc3s2)cc1 ZINC000005559202 170113237 /nfs/dbraw/zinc/11/32/37/170113237.db2.gz MFVOPKIQIOTWJZ-RMKNXTFCSA-N 0 0 295.407 5.092 50 0 CKAARN CCCCc1ccc(NC(=S)Nc2ccccc2C)cc1 ZINC000005559580 170113422 /nfs/dbraw/zinc/11/34/22/170113422.db2.gz UOWVUYMUCXXMNS-UHFFFAOYSA-N 0 0 298.455 5.147 50 0 CKAARN Cc1ccc(-c2csc(/C=C/c3cccc(F)c3)n2)cc1 ZINC000005559986 170113537 /nfs/dbraw/zinc/11/35/37/170113537.db2.gz KLMOOMBSAFAHNT-JXMROGBWSA-N 0 0 295.382 5.428 50 0 CKAARN CCC1CCC(c2ccc(-c3ccc(C)cc3F)nc2)CC1 ZINC000005584785 567932841 /nfs/dbraw/zinc/93/28/41/567932841.db2.gz PNKRZNBFEZNNLG-UHFFFAOYSA-N 0 0 297.417 5.880 50 0 CKAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1-c1ccccc1 ZINC000005586992 170116739 /nfs/dbraw/zinc/11/67/39/170116739.db2.gz LOULLCQYEFUABA-INIZCTEOSA-N 0 0 298.389 5.313 50 0 CKAARN C[C@H](c1ccccc1)n1c2ccccc2nc1-c1ccccc1 ZINC000005587055 170116821 /nfs/dbraw/zinc/11/68/21/170116821.db2.gz LOULLCQYEFUABA-MRXNPFEDSA-N 0 0 298.389 5.313 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccccc3)n2)cc1C ZINC000005588106 170116567 /nfs/dbraw/zinc/11/65/67/170116567.db2.gz IOYOCWFYVRUBCM-UHFFFAOYSA-N 0 0 280.396 5.171 50 0 CKAARN CCCC[C@@H](CC)CC(=O)C[C@H](CC)CCCC ZINC000005591073 170117027 /nfs/dbraw/zinc/11/70/27/170117027.db2.gz RNRAFCGORFXOOV-HZPDHXFCSA-N 0 0 254.458 5.769 50 0 CKAARN CCCC[C@H](CC)CC(=O)C[C@@H](CC)CCCC ZINC000005591137 170116963 /nfs/dbraw/zinc/11/69/63/170116963.db2.gz RNRAFCGORFXOOV-HOTGVXAUSA-N 0 0 254.458 5.769 50 0 CKAARN Clc1ccc(/C=C/c2nc3ccccc3s2)cc1 ZINC000005605066 170118962 /nfs/dbraw/zinc/11/89/62/170118962.db2.gz XDBQALBYXFUIRM-JXMROGBWSA-N 0 0 271.772 5.120 50 0 CKAARN Cc1ccc(SCCCSc2ccc(C)cc2)cc1 ZINC000005617780 170120603 /nfs/dbraw/zinc/12/06/03/170120603.db2.gz WWJOLFBSMMHNOX-UHFFFAOYSA-N 0 0 288.481 5.578 50 0 CKAARN Cc1cccc2c(C)cc(Sc3ccc(Cl)cc3)nc12 ZINC000005620035 170120975 /nfs/dbraw/zinc/12/09/75/170120975.db2.gz FOTIZMMTPOXVFL-UHFFFAOYSA-N 0 0 299.826 5.656 50 0 CKAARN Cc1ccc(C)c(/C=C/c2ccc3cc(C)ccc3n2)c1 ZINC000005637288 170122641 /nfs/dbraw/zinc/12/26/41/170122641.db2.gz PHFPHGAXLFULRO-VQHVLOKHSA-N 0 0 273.379 5.330 50 0 CKAARN CC(C)(C)c1ccc(Oc2cc(C(C)(C)C)ccc2O)cc1 ZINC000005642537 567859680 /nfs/dbraw/zinc/85/96/80/567859680.db2.gz MDRJUOUHBQUBDV-UHFFFAOYSA-N 0 0 298.426 5.780 50 0 CKAARN CC1=Nc2c3c(c4ccccc4c2C1(C)C)C(C)(C)C(C)=N3 ZINC000005645245 567859685 /nfs/dbraw/zinc/85/96/85/567859685.db2.gz GFVKJEYUEJEFDB-UHFFFAOYSA-N 0 0 290.410 5.607 50 0 CKAARN Cc1cc(Nc2ccc(C)c(C)c2)c2cc(Cl)ccc2n1 ZINC000005647344 170123602 /nfs/dbraw/zinc/12/36/02/170123602.db2.gz IYHRIUFHESLQJO-UHFFFAOYSA-N 0 0 296.801 5.557 50 0 CKAARN Cc1nc(CSc2c(Cl)cccc2Cl)cs1 ZINC000005669808 170126059 /nfs/dbraw/zinc/12/60/59/170126059.db2.gz UDBKYRYIDCSTJL-UHFFFAOYSA-N 0 0 290.240 5.051 50 0 CKAARN Cc1nc(CSc2cccc(Cl)c2Cl)cs1 ZINC000005669811 170125796 /nfs/dbraw/zinc/12/57/96/170125796.db2.gz KIPYRXGKFDOLQD-UHFFFAOYSA-N 0 0 290.240 5.051 50 0 CKAARN O=C(CCC1CCCCC1)Nc1ccccc1C(F)(F)F ZINC000005679334 170127409 /nfs/dbraw/zinc/12/74/09/170127409.db2.gz WACKTEYFXPXWGT-UHFFFAOYSA-N 0 0 299.336 5.004 50 0 CKAARN c1csc([C@H]2C=C(c3ccccc3)Oc3ccccc32)c1 ZINC000005682098 567940521 /nfs/dbraw/zinc/94/05/21/567940521.db2.gz CLJYEEITIVVDEY-INIZCTEOSA-N 0 0 290.387 5.314 50 0 CKAARN c1csc([C@@H]2C=C(c3ccccc3)Oc3ccccc32)c1 ZINC000005682114 567940576 /nfs/dbraw/zinc/94/05/76/567940576.db2.gz CLJYEEITIVVDEY-MRXNPFEDSA-N 0 0 290.387 5.314 50 0 CKAARN Cc1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 ZINC000005689607 170129917 /nfs/dbraw/zinc/12/99/17/170129917.db2.gz LMPVJLODTAQYJJ-UHFFFAOYSA-N 0 0 275.395 5.508 50 0 CKAARN Fc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000005689703 170129775 /nfs/dbraw/zinc/12/97/75/170129775.db2.gz YKPHJWRXAFLDMB-UHFFFAOYSA-N 0 0 299.348 5.708 50 0 CKAARN C(=C/c1cccnc1)\c1nc2cc(-c3ccccc3)ccc2o1 ZINC000005701318 170130913 /nfs/dbraw/zinc/13/09/13/170130913.db2.gz SBJLTXQRXPJONP-DHZHZOJOSA-N 0 0 298.345 5.060 50 0 CKAARN Cc1ccc(Sc2ccnc3cc(Cl)ccc32)cc1 ZINC000005701800 170130794 /nfs/dbraw/zinc/13/07/94/170130794.db2.gz ZZAHGYPBJFJSKR-UHFFFAOYSA-N 0 0 285.799 5.348 50 0 CKAARN Clc1ccc(/C=C/c2nc3ccccc3o2)c(Cl)c1 ZINC000005705073 170131135 /nfs/dbraw/zinc/13/11/35/170131135.db2.gz CGSZVEMSWPKGIS-SOFGYWHQSA-N 0 0 290.149 5.305 50 0 CKAARN FC(F)(F)c1cccc(/C=C/c2nc3ccccc3o2)c1 ZINC000005705075 170131439 /nfs/dbraw/zinc/13/14/39/170131439.db2.gz DKDUEHPEQGDUGI-CMDGGOBGSA-N 0 0 289.256 5.017 50 0 CKAARN Cc1ccc2sc(/C=C/c3ccccc3C)nc2c1 ZINC000005710521 170131962 /nfs/dbraw/zinc/13/19/62/170131962.db2.gz NOJSQUVCCNZGAO-CSKARUKUSA-N 0 0 265.381 5.084 50 0 CKAARN Cc1ccc2sc(/C=C/c3cccc(C)c3)nc2c1 ZINC000005710711 170131680 /nfs/dbraw/zinc/13/16/80/170131680.db2.gz NEMZFXDORSILKZ-VQHVLOKHSA-N 0 0 265.381 5.084 50 0 CKAARN CCCCCc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000005712479 170132272 /nfs/dbraw/zinc/13/22/72/170132272.db2.gz GJYYENNMGXHOSU-UHFFFAOYSA-N 0 0 282.387 5.063 50 0 CKAARN C(=C(/c1nc2ccccc2[nH]1)c1ccccc1)\c1ccccc1 ZINC000005728979 170133993 /nfs/dbraw/zinc/13/39/93/170133993.db2.gz VGHNUIOPXOLQGF-OBGWFSINSA-N 0 0 296.373 5.152 50 0 CKAARN Cc1[nH]c2cc3c(cc2c1C)nc(C)cc3-c1ccccc1 ZINC000005733440 170134934 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/nfs/dbraw/zinc/86/46/04/567864604.db2.gz NTHFSCBWVYULBP-UHFFFAOYSA-N 0 0 298.817 5.081 50 0 CKAARN CCCCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000013063050 567864614 /nfs/dbraw/zinc/86/46/14/567864614.db2.gz DVMUXYYARSIRRD-UHFFFAOYSA-N 0 0 292.426 5.126 50 0 CKAARN Cc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1 ZINC000013130220 567865376 /nfs/dbraw/zinc/86/53/76/567865376.db2.gz MVNXSBSNUVMBEK-UHFFFAOYSA-N 0 0 290.391 5.267 50 0 CKAARN Clc1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000013141514 170536169 /nfs/dbraw/zinc/53/61/69/170536169.db2.gz PWZHLFSCFYMSMR-YRNVUSSQSA-N 0 0 265.743 5.059 50 0 CKAARN FC(F)(F)c1ccccc1/C=C/c1nc2ccccc2o1 ZINC000013141614 170536124 /nfs/dbraw/zinc/53/61/24/170536124.db2.gz LRUBGDWIFJMFIR-MDZDMXLPSA-N 0 0 289.256 5.017 50 0 CKAARN c1ccc(-c2c3ccccc3nc3c2CCCCCC3)cc1 ZINC000013161630 567865256 /nfs/dbraw/zinc/86/52/56/567865256.db2.gz CMVJFESKHHFAEU-UHFFFAOYSA-N 0 0 287.406 5.561 50 0 CKAARN Cc1ccc([C@H]2CC(=O)C[C@@H](c3ccc(C)cc3)S2)cc1 ZINC000013301773 567118073 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CKAARN Clc1ccccc1-c1nccc2c3ccccc3[nH]c21 ZINC000013587056 567892025 /nfs/dbraw/zinc/89/20/25/567892025.db2.gz KUYRBBCKMRMWSE-UHFFFAOYSA-N 0 0 278.742 5.037 50 0 CKAARN c1ccc([C@H]2CCC[C@@H](c3ccccc3)S2)cc1 ZINC000013601432 567892800 /nfs/dbraw/zinc/89/28/00/567892800.db2.gz WGVHOPHBSLEVFP-CALCHBBNSA-N 0 0 254.398 5.386 50 0 CKAARN C/C(Cl)=C/Cc1c(C)nc2ccc(C)cc2c1Cl ZINC000013602373 567866763 /nfs/dbraw/zinc/86/67/63/567866763.db2.gz UMMLFPOCFCWGML-YHYXMXQVSA-N 0 0 280.198 5.190 50 0 CKAARN Cc1coc2c1c(C)cc1oc(=S)c3c(c21)CCC3 ZINC000013624320 170570039 /nfs/dbraw/zinc/57/00/39/170570039.db2.gz PXGGXWMZDWGCMG-UHFFFAOYSA-N 0 0 270.353 5.014 50 0 CKAARN c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000013633698 170570833 /nfs/dbraw/zinc/57/08/33/170570833.db2.gz CMVDRFFMSYMSRT-UHFFFAOYSA-N 0 0 297.361 5.040 50 0 CKAARN Cc1cccc(-c2noc(-c3cccc(C)c3)c2Cl)c1 ZINC000013640838 567866530 /nfs/dbraw/zinc/86/65/30/567866530.db2.gz BLMCBOBQSULMAA-UHFFFAOYSA-N 0 0 283.758 5.279 50 0 CKAARN Cc1ccc(-c2noc(-c3ccc(C)cc3)c2Cl)cc1 ZINC000013640850 170571410 /nfs/dbraw/zinc/57/14/10/170571410.db2.gz GRTAHCYQQXOVJS-UHFFFAOYSA-N 0 0 283.758 5.279 50 0 CKAARN Cc1c(-c2ccc(C)c(C)c2)noc1-c1ccc(C)c(C)c1 ZINC000013640894 170571422 /nfs/dbraw/zinc/57/14/22/170571422.db2.gz QBPLZJRFQLGVPV-UHFFFAOYSA-N 0 0 291.394 5.551 50 0 CKAARN CCCCCc1nc2ccccc2n1Cc1cccc(C)c1 ZINC000013659347 567866642 /nfs/dbraw/zinc/86/66/42/567866642.db2.gz IERZZHRBPSCJRH-UHFFFAOYSA-N 0 0 292.426 5.126 50 0 CKAARN Cc1coc2cc3oc(=S)c4c(c3cc12)CCCC4 ZINC000013689680 567867119 /nfs/dbraw/zinc/86/71/19/567867119.db2.gz HBAIVYROVQFXLI-UHFFFAOYSA-N 0 0 270.353 5.096 50 0 CKAARN CCCc1cc(=S)oc2cc(C)c3c(C)coc3c12 ZINC000013692440 170579296 /nfs/dbraw/zinc/57/92/96/170579296.db2.gz UUPQSTHLYOXQNC-UHFFFAOYSA-N 0 0 272.369 5.478 50 0 CKAARN Cc1oc2cc3oc(=S)c4c(c3cc2c1C)CCC4 ZINC000013692991 170579516 /nfs/dbraw/zinc/57/95/16/170579516.db2.gz UPWLRYBNILJFDG-UHFFFAOYSA-N 0 0 270.353 5.014 50 0 CKAARN Cc1oc2c(c1C)c(C)cc1oc(=S)c(C)c(C)c21 ZINC000013728135 567867669 /nfs/dbraw/zinc/86/76/69/567867669.db2.gz HSUGFMPORPPYFD-UHFFFAOYSA-N 0 0 272.369 5.451 50 0 CKAARN Cc1coc2c1cc1c3c(c(=S)oc1c2C)CCC3 ZINC000013729095 567867442 /nfs/dbraw/zinc/86/74/42/567867442.db2.gz VJYOZJLMBSLHBR-UHFFFAOYSA-N 0 0 270.353 5.014 50 0 CKAARN CCCc1cc(=S)oc2cc3occ(C)c3cc12 ZINC000013729160 567867605 /nfs/dbraw/zinc/86/76/05/567867605.db2.gz VKKRHVJZXUXNQM-UHFFFAOYSA-N 0 0 258.342 5.169 50 0 CKAARN Cc1coc2c1c(C)cc1oc(=S)c3c(c21)CCCC3 ZINC000013729263 170582615 /nfs/dbraw/zinc/58/26/15/170582615.db2.gz YEIIPHJBDGUFQK-UHFFFAOYSA-N 0 0 284.380 5.404 50 0 CKAARN CC[C@@H](C)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013786341 567867991 /nfs/dbraw/zinc/86/79/91/567867991.db2.gz VIBPTUWDLBCGFC-CYBMUJFWSA-N 0 0 284.428 5.009 50 0 CKAARN CC[C@H](C)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013786345 567868059 /nfs/dbraw/zinc/86/80/59/567868059.db2.gz VIBPTUWDLBCGFC-ZDUSSCGKSA-N 0 0 284.428 5.009 50 0 CKAARN 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/nfs/dbraw/zinc/86/92/35/567869235.db2.gz TVENXDYVJQBLCS-UHFFFAOYSA-N 0 0 275.779 5.146 50 0 CKAARN CC(C)(C)c1cccc(Oc2ccc(N)cc2Cl)c1 ZINC000014630064 567869244 /nfs/dbraw/zinc/86/92/44/567869244.db2.gz PZFALNXRZMUOFH-UHFFFAOYSA-N 0 0 275.779 5.012 50 0 CKAARN Cc1ccc(C(C)C)c(Oc2ccc(N)cc2Cl)c1 ZINC000014630072 567869172 /nfs/dbraw/zinc/86/91/72/567869172.db2.gz MIWMSXHNLFVGNI-UHFFFAOYSA-N 0 0 275.779 5.146 50 0 CKAARN CCC(C)(C)c1ccc(Oc2ccc(N)cc2Cl)cc1 ZINC000014630081 567869330 /nfs/dbraw/zinc/86/93/30/567869330.db2.gz ONIRYFFCEJAVNA-UHFFFAOYSA-N 0 0 289.806 5.402 50 0 CKAARN CC[C@@H](C)c1ccc(Oc2ccc(N)cc2Cl)cc1 ZINC000014630085 170639830 /nfs/dbraw/zinc/63/98/30/170639830.db2.gz RKPJQUWWYQWUOE-LLVKDONJSA-N 0 0 275.779 5.228 50 0 CKAARN CC[C@H](C)c1ccc(Oc2ccc(N)cc2Cl)cc1 ZINC000014630087 170639887 /nfs/dbraw/zinc/63/98/87/170639887.db2.gz RKPJQUWWYQWUOE-NSHDSACASA-N 0 0 275.779 5.228 50 0 CKAARN CC(C)c1ccccc1Oc1ccc(N)cc1C(F)(F)F ZINC000014630211 170640168 /nfs/dbraw/zinc/64/01/68/170640168.db2.gz MLFIOWSBAHXBMY-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN CC(C)c1cccc(Oc2ccc(N)cc2C(F)(F)F)c1 ZINC000014630237 170640258 /nfs/dbraw/zinc/64/02/58/170640258.db2.gz IMTWLLLECSEJKC-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN CC(C)c1ccc(Oc2ccc(N)cc2C(F)(F)F)cc1 ZINC000014630254 567869340 /nfs/dbraw/zinc/86/93/40/567869340.db2.gz FSXRQNYMNIGCIM-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN CC(C)c1ccccc1Oc1ccc(N)c(C(F)(F)F)c1 ZINC000014630351 567869245 /nfs/dbraw/zinc/86/92/45/567869245.db2.gz FXQAWPUGLAMNHZ-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN CC(C)c1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1 ZINC000014630382 567869174 /nfs/dbraw/zinc/86/91/74/567869174.db2.gz FUPOTLHGTYGNRZ-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN CC(C)c1ccc(Oc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000014630409 567869130 /nfs/dbraw/zinc/86/91/30/567869130.db2.gz VTJNETJUIRUBTQ-UHFFFAOYSA-N 0 0 295.304 5.203 50 0 CKAARN Cc1cc(N)ccc1Oc1ccccc1-c1ccccc1 ZINC000014630504 567869598 /nfs/dbraw/zinc/86/95/98/567869598.db2.gz BMEWDYIQYPGKHP-UHFFFAOYSA-N 0 0 275.351 5.037 50 0 CKAARN Cc1cc(N)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000014630555 170640104 /nfs/dbraw/zinc/64/01/04/170640104.db2.gz AOXVIBSAOYKDGL-UHFFFAOYSA-N 0 0 275.351 5.037 50 0 CKAARN CCC(C)(C)c1ccc(Oc2ccc(N)cc2C)cc1 ZINC000014630560 567869570 /nfs/dbraw/zinc/86/95/70/567869570.db2.gz YYUDWUPLJXQPBW-UHFFFAOYSA-N 0 0 269.388 5.057 50 0 CKAARN Cc1cc(N)ccc1Oc1ccc(Cl)c2ccccc12 ZINC000014630582 567869532 /nfs/dbraw/zinc/86/95/32/567869532.db2.gz HDCASPKBYIAQRL-UHFFFAOYSA-N 0 0 283.758 5.176 50 0 CKAARN Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(F)c1 ZINC000014630735 567869492 /nfs/dbraw/zinc/86/94/92/567869492.db2.gz RXPLVLHBSSZBPR-UHFFFAOYSA-N 0 0 287.721 5.007 50 0 CKAARN Cc1cc(Oc2ccccc2-c2ccccc2)ccc1N ZINC000014630815 170640284 /nfs/dbraw/zinc/64/02/84/170640284.db2.gz XDBMSBFKZAWFAV-UHFFFAOYSA-N 0 0 275.351 5.037 50 0 CKAARN Cc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1N ZINC000014630868 567869569 /nfs/dbraw/zinc/86/95/69/567869569.db2.gz HKSGSPNLRAOKHO-UHFFFAOYSA-N 0 0 275.351 5.037 50 0 CKAARN CCC(C)(C)c1ccc(Oc2ccc(N)c(C)c2)cc1 ZINC000014630873 170640145 /nfs/dbraw/zinc/64/01/45/170640145.db2.gz UXMWVQBFUUXJKI-UHFFFAOYSA-N 0 0 269.388 5.057 50 0 CKAARN Cc1cc(Oc2ccc(Cl)c3ccccc23)ccc1N ZINC000014630892 567869642 /nfs/dbraw/zinc/86/96/42/567869642.db2.gz BJDSFSKPQWXTSX-UHFFFAOYSA-N 0 0 283.758 5.176 50 0 CKAARN CCCOc1ccc(Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000015017680 567869861 /nfs/dbraw/zinc/86/98/61/567869861.db2.gz NSXLXLVEKRBPCE-UHFFFAOYSA-N 0 0 299.801 5.201 50 0 CKAARN Cc1ccc(Cc2cn(-c3ccccc3)c3ccccc23)cc1 ZINC000015018256 567870404 /nfs/dbraw/zinc/87/04/04/567870404.db2.gz OVISOFZKORAKKJ-UHFFFAOYSA-N 0 0 297.401 5.530 50 0 CKAARN S=c1ssc(Sc2ccccc2)c1Cl ZINC000015083196 567870191 /nfs/dbraw/zinc/87/01/91/567870191.db2.gz BBDOTRMOKDTILS-UHFFFAOYSA-N 0 0 276.860 5.344 50 0 CKAARN Clc1ccc(Nc2ccnc3ccc(Cl)cc32)cc1 ZINC000015108039 567870244 /nfs/dbraw/zinc/87/02/44/567870244.db2.gz YNWKTJQDZVQRCI-UHFFFAOYSA-N 0 0 289.165 5.285 50 0 CKAARN CC(C)c1ccc(Oc2nc3ccccc3nc2Cl)cc1 ZINC000015828949 567871564 /nfs/dbraw/zinc/87/15/64/567871564.db2.gz DYQMBFYOMNCNPO-UHFFFAOYSA-N 0 0 298.773 5.199 50 0 CKAARN CC(C)(C)c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000015910943 566927267 /nfs/dbraw/zinc/92/72/67/566927267.db2.gz FMPNZODNAUPABD-UHFFFAOYSA-N 0 0 295.813 5.853 50 0 CKAARN Cc1cccc2c1N[C@@H]1C(C)(C)C=C3[C@]1(C)[C@H]2CCC3(C)C ZINC000016027797 566938169 /nfs/dbraw/zinc/93/81/69/566938169.db2.gz SGNZMMCMOYKCHQ-KLHJMIIUSA-N 0 0 295.470 5.665 50 0 CKAARN CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000016051586 567871853 /nfs/dbraw/zinc/87/18/53/567871853.db2.gz GGYKPYDKXLHNTI-SLFFLAALSA-N 0 0 282.556 7.472 50 0 in-vitro CKAARN CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000016051588 170686211 /nfs/dbraw/zinc/68/62/11/170686211.db2.gz GGYKPYDKXLHNTI-UFYCRDLUSA-N 0 0 282.556 7.472 50 0 in-vitro CKAARN CCN(C(=S)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000016211814 170690333 /nfs/dbraw/zinc/69/03/33/170690333.db2.gz VASGBGPNKQUJBQ-UHFFFAOYSA-N 0 0 298.455 5.033 50 0 CKAARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl ZINC000016346914 567872618 /nfs/dbraw/zinc/87/26/18/567872618.db2.gz GIGAPNSGINLAPN-UHFFFAOYSA-N 0 0 278.138 5.110 50 0 CKAARN Clc1ccc(CSc2cccc3cccnc32)cc1 ZINC000016448839 170698274 /nfs/dbraw/zinc/69/82/74/170698274.db2.gz MPWBFRKJZJXXQP-UHFFFAOYSA-N 0 0 285.799 5.181 50 0 CKAARN Clc1ccccc1-c1nc2c(ccc3ccccc23)o1 ZINC000016526144 170700813 /nfs/dbraw/zinc/70/08/13/170700813.db2.gz WCLJNLJJPWYMOQ-UHFFFAOYSA-N 0 0 279.726 5.301 50 0 CKAARN COc1ccc(-c2ccccc2)cc1NCc1ccsc1 ZINC000016663257 567887976 /nfs/dbraw/zinc/88/79/76/567887976.db2.gz UCPMMNISGBIWCO-UHFFFAOYSA-N 0 0 295.407 5.036 50 0 CKAARN Cc1cc(NC2CCC(C)CC2)nc2cc(Cl)ccc12 ZINC000016667605 567873393 /nfs/dbraw/zinc/87/33/93/567873393.db2.gz KQYNWNQTRWUZRA-UHFFFAOYSA-N 0 0 288.822 5.187 50 0 CKAARN Cc1ccc(Sc2csc(-c3ccccc3)n2)cc1 ZINC000016742099 567873581 /nfs/dbraw/zinc/87/35/81/567873581.db2.gz BZHWNSGDHRFEGW-UHFFFAOYSA-N 0 0 283.421 5.270 50 0 CKAARN Cc1cccc2[nH]c([C@H](C)Oc3ccc(C(C)C)cc3)nc21 ZINC000016903919 567873736 /nfs/dbraw/zinc/87/37/36/567873736.db2.gz PVGYHOHJPWLKQM-AWEZNQCLSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1cccc2[nH]c([C@@H](C)Oc3ccc(C(C)C)cc3)nc21 ZINC000016903921 567873712 /nfs/dbraw/zinc/87/37/12/567873712.db2.gz PVGYHOHJPWLKQM-CQSZACIVSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1cccc2[nH]c([C@H](C)Oc3ccccc3C(C)C)nc21 ZINC000016903926 567873878 /nfs/dbraw/zinc/87/38/78/567873878.db2.gz PSMALWYFNKYYRB-AWEZNQCLSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1cccc2[nH]c([C@@H](C)Oc3ccccc3C(C)C)nc21 ZINC000016903928 567873930 /nfs/dbraw/zinc/87/39/30/567873930.db2.gz PSMALWYFNKYYRB-CQSZACIVSA-N 0 0 294.398 5.135 50 0 CKAARN Nc1c(Cl)cc(/C=C2/C=Cc3ccccc32)cc1Cl ZINC000016923396 567028148 /nfs/dbraw/zinc/02/81/48/567028148.db2.gz SZRDIKBVYMWOHQ-GHXNOFRVSA-N 0 0 288.177 5.143 50 0 CKAARN CSc1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000016925386 567028271 /nfs/dbraw/zinc/02/82/71/567028271.db2.gz ULHYTJRGRNPACD-TWGQIWQCSA-N 0 0 277.392 5.127 50 0 CKAARN c1cc(-c2nc(-c3c[nH]c4ccccc43)cs2)cs1 ZINC000016941605 567874187 /nfs/dbraw/zinc/87/41/87/567874187.db2.gz JTRVRAWJEODUPS-UHFFFAOYSA-N 0 0 282.393 5.020 50 0 CKAARN Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000016947085 567874195 /nfs/dbraw/zinc/87/41/95/567874195.db2.gz XISAIGYPMQWSRU-UHFFFAOYSA-N 0 0 274.363 5.241 50 0 CKAARN CCCC[C@@H](CC)CSC[C@@H](CC)CCCC ZINC000016954949 567874279 /nfs/dbraw/zinc/87/42/79/567874279.db2.gz UGASTCGQAJBUOO-IYBDPMFKSA-N 0 0 258.515 6.152 50 0 CKAARN CCCCN(CCCC)C(=O)Nc1cccc(Cl)c1C ZINC000017024170 170722936 /nfs/dbraw/zinc/72/29/36/170722936.db2.gz BUKYPLDYWBEYRI-UHFFFAOYSA-N 0 0 296.842 5.083 50 0 CKAARN Clc1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017024330 567032245 /nfs/dbraw/zinc/03/22/45/567032245.db2.gz NBYCISZVEKEUFD-YVMONPNESA-N 0 0 265.743 5.059 50 0 CKAARN Cc1cc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cs1 ZINC000017024628 567874516 /nfs/dbraw/zinc/87/45/16/567874516.db2.gz PIPKOBNZIGOEQC-UHFFFAOYSA-N 0 0 298.411 5.071 50 0 CKAARN O=C1[C@@H](C2CCCCC2)CCC[C@H]1C1CCCCC1 ZINC000017058791 567875032 /nfs/dbraw/zinc/87/50/32/567875032.db2.gz BQTZXRJQXMPUHY-CALCHBBNSA-N 0 0 262.437 5.132 50 0 in-vitro CKAARN Clc1ccc(/C=C\c2ccccc2Br)s1 ZINC000017111235 170725599 /nfs/dbraw/zinc/72/55/99/170725599.db2.gz ZJYZAKHSQREPGS-WAYWQWQTSA-N 0 0 299.620 5.334 50 0 CKAARN COc1cc(C)c(/C=C/c2c(C)cc(OC)cc2C)c(C)c1 ZINC000017111761 326851937 /nfs/dbraw/zinc/85/19/37/326851937.db2.gz SENXKEVIFZZVJV-BQYQJAHWSA-N 0 0 296.410 5.108 50 0 CKAARN CCCCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000017155311 567874765 /nfs/dbraw/zinc/87/47/65/567874765.db2.gz XEPOXRWTQKJJFJ-UHFFFAOYSA-N 0 0 284.790 5.157 50 0 CKAARN Clc1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000017178128 567875300 /nfs/dbraw/zinc/87/53/00/567875300.db2.gz UZQXZHWTESUSBX-UHFFFAOYSA-N 0 0 286.787 5.207 50 0 CKAARN CN1c2ccccc2C(C)(C)/C1=C/C=C/c1ccccc1 ZINC000017201524 567875437 /nfs/dbraw/zinc/87/54/37/567875437.db2.gz VULMUNKTBVTRAP-YDJMSOKMSA-N 0 0 275.395 5.011 50 0 CKAARN C/C(Cl)=C/Cc1c(C)nc2c(C)cccc2c1Cl ZINC000017264663 567875273 /nfs/dbraw/zinc/87/52/73/567875273.db2.gz OBKWIBRAARZFHK-YFHOEESVSA-N 0 0 280.198 5.190 50 0 CKAARN CCCCNc1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000017355000 567935161 /nfs/dbraw/zinc/93/51/61/567935161.db2.gz NHLXLHWBVMHQOM-SDXDJHTJSA-N 0 0 275.395 5.466 50 0 CKAARN Fc1ccc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc1 ZINC000017724604 567875903 /nfs/dbraw/zinc/87/59/03/567875903.db2.gz DVSSQOIOQHAJIM-IMJJTQAJSA-N 0 0 288.387 5.033 50 0 CKAARN Cc1cc(C)c(Sc2cccc(C(C)C)c2)c(C)c1 ZINC000018194775 170747559 /nfs/dbraw/zinc/74/75/59/170747559.db2.gz MDEAXPIKPLAIRC-UHFFFAOYSA-N 0 0 270.441 5.886 50 0 CKAARN CCCCc1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000019701898 567878312 /nfs/dbraw/zinc/87/83/12/567878312.db2.gz AKADBJNJVBCWJD-UHFFFAOYSA-N 0 0 278.399 5.123 50 0 CKAARN Cc1ccc(NCCc2cccc3ccccc32)c(C)c1 ZINC000019737605 567878519 /nfs/dbraw/zinc/87/85/19/567878519.db2.gz BJLMUKPLDMEJMO-UHFFFAOYSA-N 0 0 275.395 5.111 50 0 CKAARN Clc1ccccc1CNc1cccc2ccccc21 ZINC000019737677 567878591 /nfs/dbraw/zinc/87/85/91/567878591.db2.gz NIYKCTBMCZDZSM-UHFFFAOYSA-N 0 0 267.759 5.105 50 0 CKAARN Cc1cc(C)c(NCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000019737711 567878711 /nfs/dbraw/zinc/87/87/11/567878711.db2.gz AERLIJXUHWADGN-UHFFFAOYSA-N 0 0 294.225 5.531 50 0 CKAARN Cc1cc(C)c(NCc2ccc(C(C)C)cc2)c(C)c1 ZINC000019737723 567878862 /nfs/dbraw/zinc/87/88/62/567878862.db2.gz ZKPAFMPLGRRAPB-UHFFFAOYSA-N 0 0 267.416 5.347 50 0 CKAARN Cc1cc(C)cc(NCc2ccccc2OCCC(C)C)c1 ZINC000019737757 567878837 /nfs/dbraw/zinc/87/88/37/567878837.db2.gz HCKNGDCQPLEZQG-UHFFFAOYSA-N 0 0 297.442 5.340 50 0 CKAARN Cc1cc(C)cc(NCc2ccc(OCCC(C)C)cc2)c1 ZINC000019737758 567878900 /nfs/dbraw/zinc/87/89/00/567878900.db2.gz JQNKNIDLLOHRHA-UHFFFAOYSA-N 0 0 297.442 5.340 50 0 CKAARN CC[C@@H](C)c1ccccc1OCCNc1cc(C)ccc1C ZINC000019737772 567878915 /nfs/dbraw/zinc/87/89/15/567878915.db2.gz FHQLGKQLTSZKSZ-MRXNPFEDSA-N 0 0 297.442 5.308 50 0 CKAARN CC[C@H](C)c1ccccc1OCCNc1cc(C)ccc1C ZINC000019737773 567878861 /nfs/dbraw/zinc/87/88/61/567878861.db2.gz FHQLGKQLTSZKSZ-INIZCTEOSA-N 0 0 297.442 5.308 50 0 CKAARN Cc1ccc(C)c(NCc2ccccc2OCCC(C)C)c1 ZINC000019737786 170851049 /nfs/dbraw/zinc/85/10/49/170851049.db2.gz AEQLACQFJUVJBC-UHFFFAOYSA-N 0 0 297.442 5.340 50 0 CKAARN Cc1ccc(C)c(NC[C@H](C)Oc2ccc(C(C)C)cc2)c1 ZINC000019737790 170851122 /nfs/dbraw/zinc/85/11/22/170851122.db2.gz VAHXVKDRUNFGQL-KRWDZBQOSA-N 0 0 297.442 5.306 50 0 CKAARN Cc1ccc(C)c(NC[C@@H](C)Oc2ccc(C(C)C)cc2)c1 ZINC000019737791 567878889 /nfs/dbraw/zinc/87/88/89/567878889.db2.gz VAHXVKDRUNFGQL-QGZVFWFLSA-N 0 0 297.442 5.306 50 0 CKAARN Cc1ccc(NCc2ccccc2OCCC(C)C)cc1 ZINC000019737827 567878667 /nfs/dbraw/zinc/87/86/67/567878667.db2.gz ULMOHSXYJMETSW-UHFFFAOYSA-N 0 0 283.415 5.032 50 0 CKAARN Clc1cc(Cl)c(NCc2cccs2)cc1Cl ZINC000019737931 567878680 /nfs/dbraw/zinc/87/86/80/567878680.db2.gz HMGMZUKSTRJJSA-UHFFFAOYSA-N 0 0 292.618 5.320 50 0 CKAARN Clc1cc(Cl)c(NCc2ccccc2)cc1Cl ZINC000019737932 567878691 /nfs/dbraw/zinc/87/86/91/567878691.db2.gz RGDNLQHAMGBXQV-UHFFFAOYSA-N 0 0 286.589 5.259 50 0 CKAARN CCOc1ccccc1CNc1cccc(Cl)c1Cl ZINC000019737953 567878841 /nfs/dbraw/zinc/87/88/41/567878841.db2.gz MIPKSZSGCFOYPJ-UHFFFAOYSA-N 0 0 296.197 5.004 50 0 CKAARN Cc1cccc(NCc2ccc(-c3ccccc3)cc2)c1C ZINC000019737959 567878901 /nfs/dbraw/zinc/87/89/01/567878901.db2.gz LWSNMAVGUPEQSX-UHFFFAOYSA-N 0 0 287.406 5.583 50 0 CKAARN Cc1cccc(NCc2cccc(OCCC(C)C)c2)c1C ZINC000019737969 170851115 /nfs/dbraw/zinc/85/11/15/170851115.db2.gz IRBUPSCACVSWSB-UHFFFAOYSA-N 0 0 297.442 5.340 50 0 CKAARN Cc1cccc(NCc2ccccc2OCCC(C)C)c1 ZINC000019737990 170850807 /nfs/dbraw/zinc/85/08/07/170850807.db2.gz PDJZCJJQHMRBEB-UHFFFAOYSA-N 0 0 283.415 5.032 50 0 CKAARN CCCCCOc1ccc(CNc2ccccc2F)cc1 ZINC000019738024 567878911 /nfs/dbraw/zinc/87/89/11/567878911.db2.gz WIPPRIZMURUHPR-UHFFFAOYSA-N 0 0 287.378 5.007 50 0 CKAARN CCCCCOc1ccc(CNc2c(C)cccc2C)cc1 ZINC000019738037 567878686 /nfs/dbraw/zinc/87/86/86/567878686.db2.gz JPYLZQRMYOXDSX-UHFFFAOYSA-N 0 0 297.442 5.485 50 0 CKAARN CCc1cccc(C)c1NCCOc1ccc(C(C)C)cc1 ZINC000019738062 567878779 /nfs/dbraw/zinc/87/87/79/567878779.db2.gz CYXTWPUQVDZHOG-UHFFFAOYSA-N 0 0 297.442 5.172 50 0 CKAARN CCc1cccc(C)c1NCc1ccc(Cl)cc1Cl ZINC000019738063 170851660 /nfs/dbraw/zinc/85/16/60/170851660.db2.gz WVUINONLSGVFEA-UHFFFAOYSA-N 0 0 294.225 5.476 50 0 CKAARN CCc1cccc(C)c1NC[C@H](CC)Oc1ccc(C)cc1 ZINC000019738068 567878774 /nfs/dbraw/zinc/87/87/74/567878774.db2.gz UZHQIZJZRPBQNU-SFHVURJKSA-N 0 0 297.442 5.135 50 0 CKAARN CCc1cccc(C)c1NC[C@@H](CC)Oc1ccc(C)cc1 ZINC000019738069 170851260 /nfs/dbraw/zinc/85/12/60/170851260.db2.gz UZHQIZJZRPBQNU-GOSISDBHSA-N 0 0 297.442 5.135 50 0 CKAARN CCc1cccc(C)c1NC[C@@H](C)Oc1c(C)cccc1C ZINC000019738071 170851490 /nfs/dbraw/zinc/85/14/90/170851490.db2.gz ZXRBNDZVOBOUII-QGZVFWFLSA-N 0 0 297.442 5.054 50 0 CKAARN CCc1cccc(C)c1NC[C@H](C)Oc1c(C)cccc1C ZINC000019738072 567878775 /nfs/dbraw/zinc/87/87/75/567878775.db2.gz ZXRBNDZVOBOUII-KRWDZBQOSA-N 0 0 297.442 5.054 50 0 CKAARN Cc1ccc(Cl)cc1NCc1ccccc1OC(C)C ZINC000019738088 567878836 /nfs/dbraw/zinc/87/88/36/567878836.db2.gz DSSSYGVARGXKJD-UHFFFAOYSA-N 0 0 289.806 5.048 50 0 CKAARN Cc1ccc(Cl)cc1NCc1cccc(OC(C)C)c1 ZINC000019738090 567878887 /nfs/dbraw/zinc/87/88/87/567878887.db2.gz AFURYTCCPVIEIY-UHFFFAOYSA-N 0 0 289.806 5.048 50 0 CKAARN Clc1ccccc1NCc1ccc(-c2ccccc2)cc1 ZINC000019738136 567878717 /nfs/dbraw/zinc/87/87/17/567878717.db2.gz GOYUZBTZRUCZMY-UHFFFAOYSA-N 0 0 293.797 5.619 50 0 CKAARN CC[C@@H](CNc1cccc2ccccc21)Oc1ccccc1 ZINC000019738185 170851391 /nfs/dbraw/zinc/85/13/91/170851391.db2.gz LEWQXBHVZIDSAQ-KRWDZBQOSA-N 0 0 291.394 5.109 50 0 CKAARN CC[C@H](CNc1cccc2ccccc21)Oc1ccccc1 ZINC000019738186 567878941 /nfs/dbraw/zinc/87/89/41/567878941.db2.gz LEWQXBHVZIDSAQ-QGZVFWFLSA-N 0 0 291.394 5.109 50 0 CKAARN CC(C)CCOc1ccc(NCCCc2ccccc2)cc1 ZINC000019738199 567878766 /nfs/dbraw/zinc/87/87/66/567878766.db2.gz CMRBJMLKYUXITJ-UHFFFAOYSA-N 0 0 297.442 5.156 50 0 CKAARN Cc1ccc(CNc2ccc(OCCC(C)C)cc2)cc1 ZINC000019738200 567878882 /nfs/dbraw/zinc/87/88/82/567878882.db2.gz IQWLKCHVJRETAQ-UHFFFAOYSA-N 0 0 283.415 5.032 50 0 CKAARN CCCCOc1ccc(CNc2ccccc2Cl)cc1 ZINC000019738210 567878873 /nfs/dbraw/zinc/87/88/73/567878873.db2.gz LFEXFRGULUPQPI-UHFFFAOYSA-N 0 0 289.806 5.131 50 0 CKAARN Clc1cc(Cl)cc(CNc2ccccc2Cl)c1 ZINC000019738250 170851529 /nfs/dbraw/zinc/85/15/29/170851529.db2.gz JGWJGWHQZYMQCN-UHFFFAOYSA-N 0 0 286.589 5.259 50 0 CKAARN CC(C)Oc1ccc(NCc2ccc(C(C)C)cc2)cc1 ZINC000019738269 567878936 /nfs/dbraw/zinc/87/89/36/567878936.db2.gz WPKNTDUVISCVKP-UHFFFAOYSA-N 0 0 283.415 5.209 50 0 CKAARN CC(C)c1ccccc1NCc1ccccc1Cl ZINC000019738317 567878663 /nfs/dbraw/zinc/87/86/63/567878663.db2.gz AYDMJHUMTNAAQC-UHFFFAOYSA-N 0 0 259.780 5.076 50 0 CKAARN CC(C)c1ccccc1NCc1cccc(Cl)c1 ZINC000019738323 567878803 /nfs/dbraw/zinc/87/88/03/567878803.db2.gz ABGJTBQYJDVVBJ-UHFFFAOYSA-N 0 0 259.780 5.076 50 0 CKAARN CCCCOc1cccc(CNc2ccccc2C(C)C)c1 ZINC000019738326 567878874 /nfs/dbraw/zinc/87/88/74/567878874.db2.gz HKJUIHLHQXXZAF-UHFFFAOYSA-N 0 0 297.442 5.601 50 0 CKAARN CCCCCCOc1cccc(NCc2cccc(C)c2)c1 ZINC000019738335 567878736 /nfs/dbraw/zinc/87/87/36/567878736.db2.gz YKRGEPCSRFKNQE-UHFFFAOYSA-N 0 0 297.442 5.566 50 0 CKAARN CCCCCCNc1cccc(OCCCCCC)c1 ZINC000019738338 567878918 /nfs/dbraw/zinc/87/89/18/567878918.db2.gz XOICMBZRPUDMHT-UHFFFAOYSA-N 0 0 277.452 5.638 50 0 CKAARN CC[C@@H](C)c1ccccc1OCCNc1ccc(C)c(C)c1 ZINC000019738402 170851428 /nfs/dbraw/zinc/85/14/28/170851428.db2.gz RTCZJQPEDPQOPB-OAHLLOKOSA-N 0 0 297.442 5.308 50 0 CKAARN CC[C@H](C)c1ccccc1OCCNc1ccc(C)c(C)c1 ZINC000019738403 567878785 /nfs/dbraw/zinc/87/87/85/567878785.db2.gz RTCZJQPEDPQOPB-HNNXBMFYSA-N 0 0 297.442 5.308 50 0 CKAARN Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1C ZINC000019738412 567878877 /nfs/dbraw/zinc/87/88/77/567878877.db2.gz QCMMVVRDKNPIKY-UHFFFAOYSA-N 0 0 280.198 5.222 50 0 CKAARN CC(C)(C)CNc1ccccc1OCCCc1ccccc1 ZINC000019738456 567878942 /nfs/dbraw/zinc/87/89/42/567878942.db2.gz UPWYETYOLSDOKJ-UHFFFAOYSA-N 0 0 297.442 5.156 50 0 CKAARN Cc1ccc(NCc2ccc(OCCC(C)C)cc2)cc1C ZINC000019738484 567878688 /nfs/dbraw/zinc/87/86/88/567878688.db2.gz KCHHLFUFSBBFPU-UHFFFAOYSA-N 0 0 297.442 5.340 50 0 CKAARN CCCCNc1ccc(OCCC2CCCCC2)cc1 ZINC000019738562 567878820 /nfs/dbraw/zinc/87/88/20/567878820.db2.gz ZUKJWFCXUUWBRJ-UHFFFAOYSA-N 0 0 275.436 5.248 50 0 CKAARN CC(C)(C)CNc1ccc(OCCC2CCCCC2)cc1 ZINC000019738565 567878670 /nfs/dbraw/zinc/87/86/70/567878670.db2.gz FOTYCYDONCOHDO-UHFFFAOYSA-N 0 0 289.463 5.494 50 0 CKAARN CCCC[C@@H](CC)CC(=O)C[C@@H](CC)CCCC ZINC000019799982 567879016 /nfs/dbraw/zinc/87/90/16/567879016.db2.gz RNRAFCGORFXOOV-IYBDPMFKSA-N 0 0 254.458 5.769 50 0 CKAARN c1sc2ccccc2c1-c1csc2ccccc12 ZINC000019800855 567879167 /nfs/dbraw/zinc/87/91/67/567879167.db2.gz LVQWXEXMVVHYKU-UHFFFAOYSA-N 0 0 266.390 5.783 50 0 CKAARN Cc1ccc([C@]2(c3ccccc3)C=Cc3ccccc3N2)cc1 ZINC000019865276 567087217 /nfs/dbraw/zinc/08/72/17/567087217.db2.gz NQUYVLBJDYJTDW-JOCHJYFZSA-N 0 0 297.401 5.378 50 0 CKAARN Cc1ccc([C@@]2(c3ccccc3)C=Cc3ccccc3N2)cc1 ZINC000019865279 567087470 /nfs/dbraw/zinc/08/74/70/567087470.db2.gz NQUYVLBJDYJTDW-QFIPXVFZSA-N 0 0 297.401 5.378 50 0 CKAARN CCc1cc2c(ncnc2Nc2ccc(C(C)C)cc2)s1 ZINC000019887486 567123688 /nfs/dbraw/zinc/12/36/88/567123688.db2.gz GWEIJQKFCLXDHB-UHFFFAOYSA-N 0 0 297.427 5.121 50 0 CKAARN c1ccc2sc(Cc3cccc4ccccc43)nc2c1 ZINC000019897697 567122997 /nfs/dbraw/zinc/12/29/97/567122997.db2.gz ZIMMKYDDMBNIMO-UHFFFAOYSA-N 0 0 275.376 5.040 50 0 CKAARN CC1=Nc2ccccc2S[C@@H](c2ccc(Cl)cc2)C1 ZINC000019898224 567088240 /nfs/dbraw/zinc/08/82/40/567088240.db2.gz DONDDHFULZXSPT-MRXNPFEDSA-N 0 0 287.815 5.670 50 0 CKAARN CC1=Nc2ccccc2S[C@H](c2ccc(Cl)cc2)C1 ZINC000019898225 567088054 /nfs/dbraw/zinc/08/80/54/567088054.db2.gz DONDDHFULZXSPT-INIZCTEOSA-N 0 0 287.815 5.670 50 0 CKAARN Cc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1 ZINC000019898928 567088954 /nfs/dbraw/zinc/08/89/54/567088954.db2.gz ULWSPVABHXNXFI-CSKARUKUSA-N 0 0 265.381 5.084 50 0 CKAARN COc1ccccc1-c1cccc(-c2ccccc2OC)c1 ZINC000019899136 567879629 /nfs/dbraw/zinc/87/96/29/567879629.db2.gz QFRFJSUGFMTVSX-UHFFFAOYSA-N 0 0 290.362 5.038 50 0 CKAARN CC[C@H]1C(=O)C[C@H](c2ccccc2)S[C@H]1c1ccccc1 ZINC000019908387 567088276 /nfs/dbraw/zinc/08/82/76/567088276.db2.gz QGJMKGSPIBIYGO-UHOSZYNNSA-N 0 0 296.435 5.201 50 0 CKAARN CC[C@@H]1C(=O)C[C@H](c2ccccc2)S[C@H]1c1ccccc1 ZINC000019908389 567088045 /nfs/dbraw/zinc/08/80/45/567088045.db2.gz QGJMKGSPIBIYGO-QRQLOZEOSA-N 0 0 296.435 5.201 50 0 CKAARN Cc1cn(-c2ccccc2)c2nc3ccccc3c(Cl)c12 ZINC000019909378 567088697 /nfs/dbraw/zinc/08/86/97/567088697.db2.gz QNULHJKQFHJMBG-UHFFFAOYSA-N 0 0 292.769 5.141 50 0 CKAARN Cc1ccc(O)c(-c2cccc3c4ccccc4oc32)c1 ZINC000019909913 567946328 /nfs/dbraw/zinc/94/63/28/567946328.db2.gz XOVXDDBTVZYTBK-UHFFFAOYSA-N 0 0 274.319 5.267 50 0 CKAARN c1[nH]c2ccccc2c1CSc1cccc2cccnc21 ZINC000019925126 567880123 /nfs/dbraw/zinc/88/01/23/567880123.db2.gz LBWFCIDDHMLWIX-UHFFFAOYSA-N 0 0 290.391 5.008 50 0 CKAARN Clc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000019985553 170960809 /nfs/dbraw/zinc/96/08/09/170960809.db2.gz RDZTVDLNZXRDQH-UHFFFAOYSA-N 0 0 286.589 5.259 50 0 CKAARN COc1ccccc1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000019989061 567945281 /nfs/dbraw/zinc/94/52/81/567945281.db2.gz WUYWCWKOXFRVNA-JTQLQIEISA-N 0 0 296.197 5.175 50 0 CKAARN COc1ccccc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000019989066 567945257 /nfs/dbraw/zinc/94/52/57/567945257.db2.gz WUYWCWKOXFRVNA-SNVBAGLBSA-N 0 0 296.197 5.175 50 0 CKAARN CC(C)(C)c1ccc(Nc2nc3ccccc3s2)cc1 ZINC000020305688 566873846 /nfs/dbraw/zinc/87/38/46/566873846.db2.gz UTCOYZVCZVEWMJ-UHFFFAOYSA-N 0 0 282.412 5.337 50 0 CKAARN CC(C)c1cccc(Nc2nc3ccccc3s2)c1 ZINC000020305741 570301645 /nfs/dbraw/zinc/30/16/45/570301645.db2.gz BTXHWUWFXXJDHV-UHFFFAOYSA-N 0 0 268.385 5.163 50 0 CKAARN Cc1cc(C)c(C(=O)c2cc3cc(Cl)ccc3o2)c(C)c1 ZINC000020362826 171161920 /nfs/dbraw/zinc/16/19/20/171161920.db2.gz BRMSSCIKKZQKGB-UHFFFAOYSA-N 0 0 298.769 5.242 50 0 CKAARN CC(C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020362843 171161540 /nfs/dbraw/zinc/16/15/40/171161540.db2.gz UCNWFQFKMNQEKB-UHFFFAOYSA-N 0 0 298.769 5.441 50 0 CKAARN Clc1ccc(SCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000020478797 171221629 /nfs/dbraw/zinc/22/16/29/171221629.db2.gz FGZWLJNOPCNYCQ-UHFFFAOYSA-N 0 0 292.875 5.649 50 0 CKAARN CCCCSC1=NC2(CCCCC2)Nc2ccccc21 ZINC000020578113 171256505 /nfs/dbraw/zinc/25/65/05/171256505.db2.gz PEKSREOTGJELLF-UHFFFAOYSA-N 0 0 288.460 5.052 50 0 CKAARN CCCCC[C@@H](CCCC[C@@H](CC)CCCC)C(=O)NC ZINC000020582302 171257400 /nfs/dbraw/zinc/25/74/00/171257400.db2.gz IPKIRXQBADAZSU-ROUUACIJSA-N 0 0 297.527 5.706 50 0 CKAARN CCCCC[C@H](CCCC[C@@H](CC)CCCC)C(=O)NC ZINC000020582306 171257372 /nfs/dbraw/zinc/25/73/72/171257372.db2.gz IPKIRXQBADAZSU-ZWKOTPCHSA-N 0 0 297.527 5.706 50 0 CKAARN CCCCC[C@@H](CCCC[C@H](CC)CCCC)C(=O)NC ZINC000020582309 171257481 /nfs/dbraw/zinc/25/74/81/171257481.db2.gz IPKIRXQBADAZSU-MSOLQXFVSA-N 0 0 297.527 5.706 50 0 CKAARN CCCCC[C@H](CCCC[C@H](CC)CCCC)C(=O)NC ZINC000020582313 171257593 /nfs/dbraw/zinc/25/75/93/171257593.db2.gz IPKIRXQBADAZSU-QZTJIDSGSA-N 0 0 297.527 5.706 50 0 CKAARN Cc1ccccc1-c1nc(-c2ccc(F)cc2F)cs1 ZINC000020606188 171267262 /nfs/dbraw/zinc/26/72/62/171267262.db2.gz NXJOFJROHDLVHN-UHFFFAOYSA-N 0 0 287.334 5.064 50 0 CKAARN Cc1ccc2[nH]c([C@H](C)Oc3ccccc3C(C)C)nc2c1 ZINC000021658873 171318516 /nfs/dbraw/zinc/31/85/16/171318516.db2.gz KWHGRIMHULTZLG-AWEZNQCLSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1ccc2[nH]c([C@@H](C)Oc3ccccc3C(C)C)nc2c1 ZINC000021658875 171318583 /nfs/dbraw/zinc/31/85/83/171318583.db2.gz KWHGRIMHULTZLG-CQSZACIVSA-N 0 0 294.398 5.135 50 0 CKAARN CC(C)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000021812432 171329750 /nfs/dbraw/zinc/32/97/50/171329750.db2.gz AUIOJOKMYVPBTN-UHFFFAOYSA-N 0 0 294.225 5.729 50 0 CKAARN Fc1ccc(-c2cc(Cl)nc3c2CCCCCC3)cc1 ZINC000022007107 171348816 /nfs/dbraw/zinc/34/88/16/171348816.db2.gz PWYYKWZKLRXRSM-UHFFFAOYSA-N 0 0 289.781 5.200 50 0 CKAARN Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000022007840 171348856 /nfs/dbraw/zinc/34/88/56/171348856.db2.gz IULUNTXBHHKFFR-UHFFFAOYSA-N 0 0 259.352 5.465 50 0 CKAARN Cc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000022147617 171357392 /nfs/dbraw/zinc/35/73/92/171357392.db2.gz VFWYWZWYEMJPDH-UHFFFAOYSA-N 0 0 292.382 5.010 50 0 CKAARN Cc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1 ZINC000022347343 171385721 /nfs/dbraw/zinc/38/57/21/171385721.db2.gz PYFMRNYLNFRWQD-UHFFFAOYSA-N 0 0 265.356 5.101 50 0 CKAARN Cc1ccccc1-c1nc2cc(C(C)(C)C)ccc2o1 ZINC000022349051 171385339 /nfs/dbraw/zinc/38/53/39/171385339.db2.gz BMQJJTPGRIMIER-UHFFFAOYSA-N 0 0 265.356 5.101 50 0 CKAARN Cc1cc2nc(-c3cc(C)c(C)cc3C)oc2c(C)c1 ZINC000022352606 171385515 /nfs/dbraw/zinc/38/55/15/171385515.db2.gz HGLPNDFKCGMYJB-UHFFFAOYSA-N 0 0 265.356 5.037 50 0 CKAARN Cc1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 ZINC000022461295 171388397 /nfs/dbraw/zinc/38/83/97/171388397.db2.gz LYPXWTQNFOCSAA-UHFFFAOYSA-N 0 0 267.759 5.172 50 0 CKAARN Cc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1C ZINC000022622193 171394874 /nfs/dbraw/zinc/39/48/74/171394874.db2.gz NICDYAQZMQXZSD-UHFFFAOYSA-N 0 0 279.383 5.409 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000022622451 171394673 /nfs/dbraw/zinc/39/46/73/171394673.db2.gz ITTDRLZKDXQUFQ-UHFFFAOYSA-N 0 0 285.774 5.446 50 0 CKAARN Cc1cc(C)cc(-c2nc3cc(C(C)(C)C)ccc3o2)c1 ZINC000022622642 171394831 /nfs/dbraw/zinc/39/48/31/171394831.db2.gz TWEDNJXNWBVTGP-UHFFFAOYSA-N 0 0 279.383 5.409 50 0 CKAARN Cc1ccc(C)c(-c2nc3cc(C(C)(C)C)ccc3o2)c1 ZINC000022623407 171394647 /nfs/dbraw/zinc/39/46/47/171394647.db2.gz OMVBBIJPEODQEO-UHFFFAOYSA-N 0 0 279.383 5.409 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000022623560 171394671 /nfs/dbraw/zinc/39/46/71/171394671.db2.gz RDQXVYFLJRTICZ-UHFFFAOYSA-N 0 0 285.774 5.446 50 0 CKAARN Cc1cc(-c2nc3cc(C(C)(C)C)ccc3o2)ccc1F ZINC000022624216 171394658 /nfs/dbraw/zinc/39/46/58/171394658.db2.gz LLTAGIQBXKBUBF-UHFFFAOYSA-N 0 0 283.346 5.240 50 0 CKAARN Cc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1F ZINC000022624296 171394745 /nfs/dbraw/zinc/39/47/45/171394745.db2.gz IWBVRIAJBNZXKL-UHFFFAOYSA-N 0 0 283.346 5.240 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000022624834 171394812 /nfs/dbraw/zinc/39/48/12/171394812.db2.gz WRPIBXUVJFNMKV-UHFFFAOYSA-N 0 0 285.774 5.446 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3ccc(F)c(F)c3)nc2c1 ZINC000022627529 171395406 /nfs/dbraw/zinc/39/54/06/171395406.db2.gz IOAOHPHKCAWZST-UHFFFAOYSA-N 0 0 287.309 5.071 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3cc(F)cc(F)c3)nc2c1 ZINC000022628394 171395152 /nfs/dbraw/zinc/39/51/52/171395152.db2.gz PJYOYCYGUSYELU-UHFFFAOYSA-N 0 0 287.309 5.071 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3ccc(F)cc3F)nc2c1 ZINC000022628733 171395006 /nfs/dbraw/zinc/39/50/06/171395006.db2.gz GXMQJHHGKDIQMR-UHFFFAOYSA-N 0 0 287.309 5.071 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3cc(F)ccc3F)nc2c1 ZINC000022629328 171395235 /nfs/dbraw/zinc/39/52/35/171395235.db2.gz KYSSCQWMDMDPJI-UHFFFAOYSA-N 0 0 287.309 5.071 50 0 CKAARN CC(C)(C)c1ccc2oc(-c3c(F)cccc3F)nc2c1 ZINC000022630431 171395225 /nfs/dbraw/zinc/39/52/25/171395225.db2.gz LIZNLKBUWBUCHN-UHFFFAOYSA-N 0 0 287.309 5.071 50 0 CKAARN CCOc1ccccc1-c1nc2cc(C(C)(C)C)ccc2o1 ZINC000022631963 171395431 /nfs/dbraw/zinc/39/54/31/171395431.db2.gz NXYUCHQOTVTXDV-UHFFFAOYSA-N 0 0 295.382 5.191 50 0 CKAARN Cc1cc(C)c(-c2nc3cc(C(C)(C)C)ccc3o2)cc1C ZINC000022632080 171395024 /nfs/dbraw/zinc/39/50/24/171395024.db2.gz MDPPUVJUYCSPAG-UHFFFAOYSA-N 0 0 293.410 5.718 50 0 CKAARN COc1ccccc1-c1csc(-c2ccc(C)cc2C)n1 ZINC000023258465 567881602 /nfs/dbraw/zinc/88/16/02/567881602.db2.gz UPAVVWQPAKIQMZ-UHFFFAOYSA-N 0 0 295.407 5.103 50 0 CKAARN Cc1cc(NCC2CCCCC2)nc2cc(Cl)ccc12 ZINC000023634472 567888705 /nfs/dbraw/zinc/88/87/05/567888705.db2.gz BBNDNEGMSDRILQ-UHFFFAOYSA-N 0 0 288.822 5.189 50 0 CKAARN C(=C/c1ccc2ccccc2c1)\c1nc2ccccc2o1 ZINC000023987012 171428890 /nfs/dbraw/zinc/42/88/90/171428890.db2.gz FPMUEPCMGLTFQU-ZRDIBKRKSA-N 0 0 271.319 5.151 50 0 CKAARN Fc1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 ZINC000024033909 184536680 /nfs/dbraw/zinc/53/66/80/184536680.db2.gz FCDFJFAACIBRID-UHFFFAOYSA-N 0 0 294.354 5.098 50 0 CKAARN Fc1cccc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1 ZINC000024033933 567882605 /nfs/dbraw/zinc/88/26/05/567882605.db2.gz OCSUHJOWVJRQFG-UHFFFAOYSA-N 0 0 294.354 5.098 50 0 CKAARN Cc1cc(Oc2ccc(Cl)c(Cl)c2)nc(C(C)C)n1 ZINC000024985349 570228725 /nfs/dbraw/zinc/22/87/25/570228725.db2.gz MOLHGPXZSPAPCD-UHFFFAOYSA-N 0 0 297.185 5.008 50 0 CKAARN Clc1cccnc1Oc1ccc(-c2ccccc2)cc1 ZINC000025067009 570229426 /nfs/dbraw/zinc/22/94/26/570229426.db2.gz VCWWEZBQEQKBPB-UHFFFAOYSA-N 0 0 281.742 5.194 50 0 CKAARN Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1C(C)C ZINC000025204553 570229829 /nfs/dbraw/zinc/22/98/29/570229829.db2.gz WZYVQBSRFIUAPJ-UHFFFAOYSA-N 0 0 286.400 5.069 50 0 CKAARN CCCC[C@@H](CC)C[P@@H](=O)C[C@@H](CC)CCCC ZINC000025626376 566915241 /nfs/dbraw/zinc/91/52/41/566915241.db2.gz YAIGSFCHRKDZJA-IYBDPMFKSA-N 0 0 274.429 5.979 50 0 CKAARN S=c1cc(-c2ccccc2)sc(-c2ccccc2)c1 ZINC000025667138 566914344 /nfs/dbraw/zinc/91/43/44/566914344.db2.gz QENWKTQYINCUOX-UHFFFAOYSA-N 0 0 280.417 5.812 50 0 CKAARN COc1cccc(N(c2ccccc2)c2ccccc2)c1 ZINC000025760086 171465556 /nfs/dbraw/zinc/46/55/56/171465556.db2.gz MVIPGWFTBPVNBJ-UHFFFAOYSA-N 0 0 275.351 5.165 50 0 CKAARN c1c2ccccc2n(Cc2ccccc2)c1-c1ccccc1 ZINC000026331306 566839950 /nfs/dbraw/zinc/83/99/50/566839950.db2.gz NTEREHKLCGIVKK-UHFFFAOYSA-N 0 0 283.374 5.357 50 0 CKAARN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC ZINC000027644746 171526509 /nfs/dbraw/zinc/52/65/09/171526509.db2.gz BIRKCHKCDPCDEG-GJDCDIHCSA-N 0 0 290.447 5.525 50 0 in-vitro CKAARN Clc1ccc(Sc2cnc(-c3ccccc3)o2)cc1 ZINC000028294865 567883705 /nfs/dbraw/zinc/88/37/05/567883705.db2.gz RPHPVWBHUMHCBI-UHFFFAOYSA-N 0 0 287.771 5.146 50 0 CKAARN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1cc2ccccc2o1 ZINC000028309498 567953058 /nfs/dbraw/zinc/95/30/58/567953058.db2.gz JYUFZTSULHYLKP-WWGRRREGSA-N 0 0 295.382 5.000 50 0 CKAARN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1cc2ccccc2o1 ZINC000028309502 567953025 /nfs/dbraw/zinc/95/30/25/567953025.db2.gz JYUFZTSULHYLKP-XEZPLFJOSA-N 0 0 295.382 5.000 50 0 CKAARN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1cc2ccccc2o1 ZINC000028309506 567953043 /nfs/dbraw/zinc/95/30/43/567953043.db2.gz JYUFZTSULHYLKP-DVOMOZLQSA-N 0 0 295.382 5.000 50 0 CKAARN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cc2ccccc2o1 ZINC000028309510 567953063 /nfs/dbraw/zinc/95/30/63/567953063.db2.gz JYUFZTSULHYLKP-HEHGZKQESA-N 0 0 295.382 5.000 50 0 CKAARN Brc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000032098859 567885559 /nfs/dbraw/zinc/88/55/59/567885559.db2.gz SAODOTSIOILVSO-UHFFFAOYSA-N 0 0 283.168 5.269 50 0 CKAARN Brc1ccc(-c2cccc3ccccc32)cc1 ZINC000032098879 567885453 /nfs/dbraw/zinc/88/54/53/567885453.db2.gz YRPIGRRBBMFFBE-UHFFFAOYSA-N 0 0 283.168 5.269 50 0 CKAARN CCCCCC1(CCCCC)OCO[C@@H]1c1ccccc1 ZINC000032106565 567885646 /nfs/dbraw/zinc/88/56/46/567885646.db2.gz LLPPXXCOLMSDPS-GOSISDBHSA-N 0 0 290.447 5.631 50 0 CKAARN CCCCCC1(CCCCC)OCO[C@H]1c1ccccc1 ZINC000032106568 567087132 /nfs/dbraw/zinc/08/71/32/567087132.db2.gz LLPPXXCOLMSDPS-SFHVURJKSA-N 0 0 290.447 5.631 50 0 CKAARN C[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ccccc2S1 ZINC000032174644 567190518 /nfs/dbraw/zinc/19/05/18/567190518.db2.gz ODYWWSINMDBSGP-ABAIWWIYSA-N 0 0 289.831 5.378 50 0 CKAARN C[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ccccc2S1 ZINC000032174646 567188838 /nfs/dbraw/zinc/18/88/38/567188838.db2.gz ODYWWSINMDBSGP-NHYWBVRUSA-N 0 0 289.831 5.378 50 0 CKAARN C[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccccc2S1 ZINC000032174648 567189240 /nfs/dbraw/zinc/18/92/40/567189240.db2.gz ODYWWSINMDBSGP-IAQYHMDHSA-N 0 0 289.831 5.378 50 0 CKAARN C[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccccc2S1 ZINC000032174650 567190446 /nfs/dbraw/zinc/19/04/46/567190446.db2.gz ODYWWSINMDBSGP-XHDPSFHLSA-N 0 0 289.831 5.378 50 0 CKAARN Cc1sc(Nc2ccccc2)nc1-c1ccc(F)c(C)c1 ZINC000032180653 567190290 /nfs/dbraw/zinc/19/02/90/567190290.db2.gz ROFGSUCYGRDFOD-UHFFFAOYSA-N 0 0 298.386 5.310 50 0 CKAARN OC(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000032192520 171721126 /nfs/dbraw/zinc/72/11/26/171721126.db2.gz NHIXQVYVFRYTOB-UHFFFAOYSA-N 0 0 284.358 5.075 50 0 CKAARN Oc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000032270429 567886077 /nfs/dbraw/zinc/88/60/77/567886077.db2.gz XZRBITOOYQYBPN-UHFFFAOYSA-N 0 0 278.395 5.013 50 0 CKAARN c1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc21 ZINC000032272985 567190017 /nfs/dbraw/zinc/19/00/17/567190017.db2.gz QSOAYCUFEQGHDN-UHFFFAOYSA-N 0 0 293.369 5.937 50 0 CKAARN CC(C)c1nc2cc(-c3cccc4ncccc43)ccc2o1 ZINC000032520294 567886103 /nfs/dbraw/zinc/88/61/03/567886103.db2.gz NRWCRPCPUPBLPD-UHFFFAOYSA-N 0 0 288.350 5.166 50 0 CKAARN Clc1cccc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC000032605095 567863656 /nfs/dbraw/zinc/86/36/56/567863656.db2.gz MGUNEPPDJIJOGM-UHFFFAOYSA-N 0 0 289.165 5.285 50 0 CKAARN Clc1ccc2nccc(Nc3ccccc3Cl)c2c1 ZINC000032605104 567886377 /nfs/dbraw/zinc/88/63/77/567886377.db2.gz HUXFFZQTLCAVPH-UHFFFAOYSA-N 0 0 289.165 5.285 50 0 CKAARN CC(C)(C)c1cc(-c2ccc(Cl)cc2)c2ccccc2n1 ZINC000032616735 171740213 /nfs/dbraw/zinc/74/02/13/171740213.db2.gz KYBOIEZWYNBHFL-UHFFFAOYSA-N 0 0 295.813 5.853 50 0 CKAARN Cc1ccc(/C=C/c2ccc3cc(C)ccc3n2)cc1 ZINC000032639083 171741420 /nfs/dbraw/zinc/74/14/20/171741420.db2.gz ARTPCXYEMVEICJ-CSKARUKUSA-N 0 0 259.352 5.022 50 0 CKAARN Cc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)c(C)c1 ZINC000032665187 566955168 /nfs/dbraw/zinc/95/51/68/566955168.db2.gz ZGTSXDYCOUYTSZ-VMPITWQZSA-N 0 0 283.758 5.268 50 0 CKAARN CCCc1c(C)c2ccccc2nc1-c1ccccc1 ZINC000032666057 567864390 /nfs/dbraw/zinc/86/43/90/567864390.db2.gz REZDVZDSISMJSO-UHFFFAOYSA-N 0 0 261.368 5.163 50 0 CKAARN Cc1ccsc1-c1nc(C)c(-c2ccccc2)s1 ZINC000032808921 171752096 /nfs/dbraw/zinc/75/20/96/171752096.db2.gz RJHOFTUQNFQILA-UHFFFAOYSA-N 0 0 271.410 5.155 50 0 CKAARN Cc1cc(-c2cc3cc(Cl)ccc3o2)nc2ccccc12 ZINC000032814507 567868853 /nfs/dbraw/zinc/86/88/53/567868853.db2.gz UWUJTYXRCMBQDD-UHFFFAOYSA-N 0 0 293.753 5.610 50 0 CKAARN Cc1ccc(C(C)C)c(O[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000033004163 171767523 /nfs/dbraw/zinc/76/75/23/171767523.db2.gz ZELFBPKVPXRZRT-AWEZNQCLSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1ccc(C(C)C)c(O[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000033004165 567891398 /nfs/dbraw/zinc/89/13/98/567891398.db2.gz ZELFBPKVPXRZRT-CQSZACIVSA-N 0 0 294.398 5.135 50 0 CKAARN Cc1cccc(NC(=O)/C=C\c2ccc(C(C)C)cc2)c1C ZINC000033290956 171778282 /nfs/dbraw/zinc/77/82/82/171778282.db2.gz AOLPOPOJTRLXGL-RAXLEYEMSA-N 0 0 293.410 5.079 50 0 CKAARN Cc1ccc(/C=C\c2cc3ccccc3s2)cc1 ZINC000033291174 567906761 /nfs/dbraw/zinc/90/67/61/567906761.db2.gz OGIAUGGOGPGMEZ-KHPPLWFESA-N 0 0 250.366 5.380 50 0 CKAARN COc1cc(C)c(/C=C\c2c(C)cc(OC)cc2C)c(C)c1 ZINC000033291176 567906846 /nfs/dbraw/zinc/90/68/46/567906846.db2.gz SENXKEVIFZZVJV-FPLPWBNLSA-N 0 0 296.410 5.108 50 0 CKAARN COc1ccc(C2=C(/C=C\c3ccccc3)CCC2)cc1 ZINC000033291177 567906775 /nfs/dbraw/zinc/90/67/75/567906775.db2.gz DQKFMPDIXYXURL-KHPPLWFESA-N 0 0 276.379 5.346 50 0 CKAARN CC(C)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000033297593 567907054 /nfs/dbraw/zinc/90/70/54/567907054.db2.gz FBGYWUCFGDTKJU-XFXZXTDPSA-N 0 0 299.801 5.115 50 0 CKAARN Cc1nc2ccc(/C=C/C=C\c3ccccc3)cc2s1 ZINC000033401051 567917160 /nfs/dbraw/zinc/91/71/60/567917160.db2.gz FOKJWHSWYASHPM-VTBWALSUSA-N 0 0 277.392 5.331 50 0 CKAARN COc1ccc(/C=C\c2ccccc2-c2ccccc2)cc1 ZINC000033416773 570262215 /nfs/dbraw/zinc/26/22/15/570262215.db2.gz KEVXXGYVWIGESU-KAMYIIQDSA-N 0 0 286.374 5.533 50 0 CKAARN CCCCn1c(/C=C\c2ccccc2)nc2ccccc21 ZINC000033420199 171791827 /nfs/dbraw/zinc/79/18/27/171791827.db2.gz MORLWKKIQMIPGB-YPKPFQOOSA-N 0 0 276.383 5.007 50 0 CKAARN CC[C@@H](C)c1ccc(NC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000033456532 171804066 /nfs/dbraw/zinc/80/40/66/171804066.db2.gz MLWBBAPDPMDJEI-IHWMJMDHSA-N 0 0 293.410 5.160 50 0 CKAARN CC[C@H](C)c1ccc(NC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000033456534 570267120 /nfs/dbraw/zinc/26/71/20/570267120.db2.gz MLWBBAPDPMDJEI-MBSJSRAVSA-N 0 0 293.410 5.160 50 0 CKAARN Clc1ccc(/C=C(/c2ccccc2)c2ccncc2)cc1 ZINC000033502663 171808052 /nfs/dbraw/zinc/80/80/52/171808052.db2.gz PAIXREBPKMIKOW-RGEXLXHISA-N 0 0 291.781 5.324 50 0 CKAARN COc1ccc(/C=C\c2ccc(OC)c3ccccc23)cc1 ZINC000033704519 570267711 /nfs/dbraw/zinc/26/77/11/570267711.db2.gz NHPVXKNNOQNIOG-YFHOEESVSA-N 0 0 290.362 5.027 50 0 CKAARN Cc1cc2nc(/C=C\c3cccc(F)c3)sc2cc1C ZINC000033794368 171820948 /nfs/dbraw/zinc/82/09/48/171820948.db2.gz DFZGZIYLHPQBKW-SREVYHEPSA-N 0 0 283.371 5.223 50 0 CKAARN CCCC/C=C\CCCCCCCCCCOC(C)=O ZINC000033840850 567887120 /nfs/dbraw/zinc/88/71/20/567887120.db2.gz BTKXLQSCEOHKTF-SREVYHEPSA-N 0 0 282.468 5.807 50 0 CKAARN Cc1cc(C)c(NCCNc2c(C)cc(C)cc2C)c(C)c1 ZINC000033915400 567886969 /nfs/dbraw/zinc/88/69/69/567886969.db2.gz RQXQQXIIAQTDHU-UHFFFAOYSA-N 0 0 296.458 5.061 50 0 CKAARN COc1c(C(C)(C)C)cc(Br)cc1C(C)(C)C ZINC000034127666 567887137 /nfs/dbraw/zinc/88/71/37/567887137.db2.gz KKHJQLVAMOKQHO-UHFFFAOYSA-N 0 0 299.252 5.053 50 0 CKAARN COc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 ZINC000034150937 171832589 /nfs/dbraw/zinc/83/25/89/171832589.db2.gz LEFLOQIQYDEZJC-UHFFFAOYSA-N 0 0 299.373 5.511 50 0 CKAARN CCCC[C@@H](CC)C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000034154261 567886942 /nfs/dbraw/zinc/88/69/42/567886942.db2.gz XXHIPRDUAVCXHW-OAHLLOKOSA-N 0 0 298.426 5.446 50 0 CKAARN CCCC[C@H](CC)C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000034154263 171833070 /nfs/dbraw/zinc/83/30/70/171833070.db2.gz XXHIPRDUAVCXHW-HNNXBMFYSA-N 0 0 298.426 5.446 50 0 CKAARN Clc1ccc(-c2cc(Cl)nc3ccccc32)cc1 ZINC000034185769 567932138 /nfs/dbraw/zinc/93/21/38/567932138.db2.gz KDELXIRPBKDPTB-UHFFFAOYSA-N 0 0 274.150 5.209 50 0 CKAARN Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000034201791 567089082 /nfs/dbraw/zinc/08/90/82/567089082.db2.gz BXKOFCIKIPOZOX-UHFFFAOYSA-N 0 0 294.373 5.110 50 0 CKAARN CCCCCc1ccc(-c2ccc([C@@H](C)O)cc2)cc1 ZINC000034266280 171836036 /nfs/dbraw/zinc/83/60/36/171836036.db2.gz OFGWKMWRSBMRDT-OAHLLOKOSA-N 0 0 268.400 5.140 50 0 CKAARN CCCCCc1ccc(-c2ccc([C@H](C)O)cc2)cc1 ZINC000034266281 567887144 /nfs/dbraw/zinc/88/71/44/567887144.db2.gz OFGWKMWRSBMRDT-HNNXBMFYSA-N 0 0 268.400 5.140 50 0 CKAARN c1cc2sc(-c3cc4sccc4s3)cc2s1 ZINC000034457184 567887630 /nfs/dbraw/zinc/88/76/30/567887630.db2.gz ZDFFDKMGCBNSKY-UHFFFAOYSA-N 0 0 278.448 5.906 50 0 CKAARN COc1cccc2c1[nH]c(-c1ccccc1)c2-c1ccccc1 ZINC000034592337 567944369 /nfs/dbraw/zinc/94/43/69/567944369.db2.gz MOYGGEQFVRLYOG-UHFFFAOYSA-N 0 0 299.373 5.511 50 0 CKAARN Cc1ccc2ccccc2c1C(=O)c1cccc2ccccc21 ZINC000034628373 566914790 /nfs/dbraw/zinc/91/47/90/566914790.db2.gz UDKVFBNEKCUWTI-UHFFFAOYSA-N 0 0 296.369 5.532 50 0 CKAARN Cc1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000034745005 567888841 /nfs/dbraw/zinc/88/88/41/567888841.db2.gz OZVXBXKVMMIGDV-UHFFFAOYSA-N 0 0 257.336 5.092 50 0 CKAARN CC1(C)CC(/C=C\c2cccs2)=Nc2ccccc2S1 ZINC000034863812 567852391 /nfs/dbraw/zinc/85/23/91/567852391.db2.gz JVDPQOBKOXMRPX-KTKRTIGZSA-N 0 0 299.464 5.808 50 0 CKAARN Cc1ccc2occ(-c3ccc(C(C)(C)C)cc3)c(=O)c2c1 ZINC000034909593 567852504 /nfs/dbraw/zinc/85/25/04/567852504.db2.gz XTIKQTFEPDLREU-UHFFFAOYSA-N 0 0 292.378 5.066 50 0 CKAARN Cc1noc(C)c1CNc1ccc(C(C)C)cc1C(C)C ZINC000035255762 172085660 /nfs/dbraw/zinc/08/56/60/172085660.db2.gz WCTDYOIFJYFBSJ-UHFFFAOYSA-N 0 0 286.419 5.150 50 0 CKAARN Cc1ccc(C)c(/C=C\c2nc3cc(C)c(C)cc3s2)c1 ZINC000035263307 172091896 /nfs/dbraw/zinc/09/18/96/172091896.db2.gz OOMUJXZEBQCYCJ-FPLPWBNLSA-N 0 0 293.435 5.700 50 0 CKAARN CCCOc1cccc(CNc2cccc3ccccc32)c1 ZINC000035287243 172105332 /nfs/dbraw/zinc/10/53/32/172105332.db2.gz USBVHKRYZZJMSZ-UHFFFAOYSA-N 0 0 291.394 5.241 50 0 CKAARN O=C1CCCCCCCCCCC(=O)c2ccc1s2 ZINC000035325343 172127281 /nfs/dbraw/zinc/12/72/81/172127281.db2.gz ODBUSOJDFGSMTM-UHFFFAOYSA-N 0 0 278.417 5.028 50 0 CKAARN Cc1ccc(C)c(/C=C\c2nc3ccccc3s2)c1 ZINC000035387960 172170335 /nfs/dbraw/zinc/17/03/35/172170335.db2.gz OSWCITGFAQAICP-KTKRTIGZSA-N 0 0 265.381 5.084 50 0 CKAARN Cc1ccc(Sc2cnc(-c3ccc(C)cc3)o2)cc1 ZINC000035681807 172353092 /nfs/dbraw/zinc/35/30/92/172353092.db2.gz WQSWEPSWPQUZOT-UHFFFAOYSA-N 0 0 281.380 5.110 50 0 CKAARN Cc1cc(C)c2nc(-c3ccccc3)cc(Cl)c2c1 ZINC000036075419 570233441 /nfs/dbraw/zinc/23/34/41/570233441.db2.gz MCCJMSALUBTGDI-UHFFFAOYSA-N 0 0 267.759 5.172 50 0 CKAARN Cc1cc(NC2CCCCCC2)nc2cc(Cl)ccc12 ZINC000036084534 570233264 /nfs/dbraw/zinc/23/32/64/570233264.db2.gz PNCNJJDKEMRJJY-UHFFFAOYSA-N 0 0 288.822 5.331 50 0 CKAARN Clc1ccc(/C=C\c2cc(Cl)cc(Cl)c2)cc1 ZINC000036159902 566994874 /nfs/dbraw/zinc/99/48/74/566994874.db2.gz JMYNPQVCVQVODQ-UPHRSURJSA-N 0 0 283.585 5.817 50 0 CKAARN CC(C)C(C)(C)c1ccc(OC(=O)Nc2ccccc2)cc1 ZINC000036358027 566999452 /nfs/dbraw/zinc/99/94/52/566999452.db2.gz FYTWWHWKMWDUQB-UHFFFAOYSA-N 0 0 297.398 5.231 50 0 CKAARN c1c2c(noc2-c2ccccc2)sc1-c1ccccc1 ZINC000036636066 172643624 /nfs/dbraw/zinc/64/36/24/172643624.db2.gz IPWOGWKVCWSZEQ-UHFFFAOYSA-N 0 0 277.348 5.223 50 0 CKAARN CC(C)c1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000036819388 567889577 /nfs/dbraw/zinc/88/95/77/567889577.db2.gz VHDVGAOHOGCBRG-UHFFFAOYSA-N 0 0 293.193 5.348 50 0 CKAARN O=C(CC1CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000037354693 173147032 /nfs/dbraw/zinc/14/70/32/173147032.db2.gz VIQFEOGHMAXIIG-UHFFFAOYSA-N 0 0 278.395 5.507 50 0 CKAARN CCCc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000037357103 173147569 /nfs/dbraw/zinc/14/75/69/173147569.db2.gz VWTWWTCQNAAABA-UHFFFAOYSA-N 0 0 293.193 5.177 50 0 CKAARN CCCc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000037357129 173147910 /nfs/dbraw/zinc/14/79/10/173147910.db2.gz SOOSSKMXBRANIK-UHFFFAOYSA-N 0 0 280.411 5.168 50 0 CKAARN c1c2ccccc2sc1-c1ccc2ccccc2n1 ZINC000037866050 567890143 /nfs/dbraw/zinc/89/01/43/567890143.db2.gz WIODVQPPNKPCJA-UHFFFAOYSA-N 0 0 261.349 5.117 50 0 CKAARN O=C(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000038137891 174134009 /nfs/dbraw/zinc/13/40/09/174134009.db2.gz AIIMBSMASMLBEL-UHFFFAOYSA-N 0 0 280.367 5.242 50 0 CKAARN Brc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000038142103 174134273 /nfs/dbraw/zinc/13/42/73/174134273.db2.gz IKSNXMHAGMXMCA-SDNWHVSQSA-N 0 0 283.168 5.017 50 0 CKAARN C(=C\c1cccc2ccccc12)\c1ccc2ccccc2c1 ZINC000038153032 174134623 /nfs/dbraw/zinc/13/46/23/174134623.db2.gz VWWJAOLYMQJIOK-SQFISAMPSA-N 0 0 280.370 6.163 50 0 CKAARN CCCCS/C=C1\CC[C@@H]2C(C)(C)CCC[C@@]2(C)C1=O ZINC000038306122 570411789 /nfs/dbraw/zinc/41/17/89/570411789.db2.gz JNWCCCRKOJKPKR-MQUHGVABSA-N 0 0 294.504 5.599 50 0 CKAARN Cc1cc(C)c(Nc2c(C)cc(C)cc2C)c(C)c1 ZINC000038348654 174140653 /nfs/dbraw/zinc/14/06/53/174140653.db2.gz HSXWOKPAUZMPML-UHFFFAOYSA-N 0 0 253.389 5.281 50 0 CKAARN c1[nH]c2ccccc2c1C1c2ccccc2Oc2ccccc21 ZINC000039206291 174165424 /nfs/dbraw/zinc/16/54/24/174165424.db2.gz FTPHAZDBKDTXMJ-UHFFFAOYSA-N 0 0 297.357 5.454 50 0 CKAARN CC(C)(C)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000039225486 174167027 /nfs/dbraw/zinc/16/70/27/174167027.db2.gz MLLYOJTZJSKVPO-UHFFFAOYSA-N 0 0 276.383 5.041 50 0 CKAARN c1c(-c2ccccc2)c(-c2ccccc2)c2ccccn12 ZINC000039278434 260171624 /nfs/dbraw/zinc/17/16/24/260171624.db2.gz JLSCJJNNDGOVRK-UHFFFAOYSA-N 0 0 269.347 5.273 50 0 CKAARN c1ccc2c(c1)ccc1c2[C@@]23CSC[C@@]2(CC=CC3)CC1 ZINC000039278685 263277371 /nfs/dbraw/zinc/27/73/71/263277371.db2.gz WPSULXBJQBVTMR-WOJBJXKFSA-N 0 0 292.447 5.107 50 0 CKAARN c1ccc2c(c1)ccc1c2[C@]23CSC[C@]2(CC=CC3)CC1 ZINC000039278686 263277535 /nfs/dbraw/zinc/27/75/35/263277535.db2.gz WPSULXBJQBVTMR-PMACEKPBSA-N 0 0 292.447 5.107 50 0 CKAARN CC1=C(C)C[C@H](CCCSc2ccccc2)CC1 ZINC000039424382 566913892 /nfs/dbraw/zinc/91/38/92/566913892.db2.gz JJVHKONIYRGSGU-MRXNPFEDSA-N 0 0 260.446 5.695 50 0 CKAARN CC1=C(C)C[C@@H](CCCSc2ccccc2)CC1 ZINC000039424383 566917686 /nfs/dbraw/zinc/91/76/86/566917686.db2.gz JJVHKONIYRGSGU-INIZCTEOSA-N 0 0 260.446 5.695 50 0 CKAARN CSc1ccc(C)c(C(=O)Nc2ccccc2C(C)C)c1 ZINC000040050418 174184820 /nfs/dbraw/zinc/18/48/20/174184820.db2.gz KDMNQPUMWQOPET-UHFFFAOYSA-N 0 0 299.439 5.093 50 0 CKAARN CC1=Nc2ccc3ccccc3c2[C@@]1(C)Cc1ccccc1 ZINC000040442530 174263215 /nfs/dbraw/zinc/26/32/15/174263215.db2.gz SUUPXNJGESLRBB-NRFANRHFSA-N 0 0 285.390 5.446 50 0 CKAARN CC1=Nc2ccc3ccccc3c2[C@]1(C)Cc1ccccc1 ZINC000040442531 174263140 /nfs/dbraw/zinc/26/31/40/174263140.db2.gz SUUPXNJGESLRBB-OAQYLSRUSA-N 0 0 285.390 5.446 50 0 CKAARN CCOc1ccc2nc(-c3ccc(Cl)cc3)sc2c1 ZINC000042384909 174704781 /nfs/dbraw/zinc/70/47/81/174704781.db2.gz AUGVODWQGKVVLN-UHFFFAOYSA-N 0 0 289.787 5.015 50 0 CKAARN CC(C)(C)n1nccc1-c1ccc(-c2cccs2)s1 ZINC000042770669 567891723 /nfs/dbraw/zinc/89/17/23/567891723.db2.gz UBOKXXKEEPZZDK-UHFFFAOYSA-N 0 0 288.441 5.095 50 0 CKAARN CCc1cccc([C@@H](C)CC)c1NC(=O)Nc1ccccc1 ZINC000042785194 174880064 /nfs/dbraw/zinc/88/00/64/174880064.db2.gz QLAMZYBMDVZUQR-AWEZNQCLSA-N 0 0 296.414 5.407 50 0 CKAARN CCc1cccc([C@H](C)CC)c1NC(=O)Nc1ccccc1 ZINC000042785196 567892026 /nfs/dbraw/zinc/89/20/26/567892026.db2.gz QLAMZYBMDVZUQR-CQSZACIVSA-N 0 0 296.414 5.407 50 0 CKAARN CC(C)(C)[C@@H]1CCC=C(CSc2ccccc2)C1 ZINC000043198764 328753973 /nfs/dbraw/zinc/75/39/73/328753973.db2.gz FUDOWVGRJWIHEK-OAHLLOKOSA-N 0 0 260.446 5.551 50 0 CKAARN CC(C)(C)[C@H]1CCC=C(CSc2ccccc2)C1 ZINC000043198765 328753967 /nfs/dbraw/zinc/75/39/67/328753967.db2.gz FUDOWVGRJWIHEK-HNNXBMFYSA-N 0 0 260.446 5.551 50 0 CKAARN CO[C@@H]1CCSC1=C1CCCCCCCCCCC1 ZINC000043198846 566916339 /nfs/dbraw/zinc/91/63/39/566916339.db2.gz GPDZDFMCYFBIRI-MRXNPFEDSA-N 0 0 282.493 5.697 50 0 CKAARN CO[C@H]1CCSC1=C1CCCCCCCCCCC1 ZINC000043198847 566917560 /nfs/dbraw/zinc/91/75/60/566917560.db2.gz GPDZDFMCYFBIRI-INIZCTEOSA-N 0 0 282.493 5.697 50 0 CKAARN CC(C)(C)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000043210038 567891839 /nfs/dbraw/zinc/89/18/39/567891839.db2.gz VNDGIMUCCZSNNK-UHFFFAOYSA-N 0 0 290.765 5.008 50 0 CKAARN CC(C)(C)c1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000043210058 174983778 /nfs/dbraw/zinc/98/37/78/174983778.db2.gz RHVFVRDUSXPJPL-UHFFFAOYSA-N 0 0 290.765 5.008 50 0 CKAARN CC(C)(C)c1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000043210079 567892065 /nfs/dbraw/zinc/89/20/65/567892065.db2.gz PNQVDFGYRJGCMQ-UHFFFAOYSA-N 0 0 290.765 5.008 50 0 CKAARN Cc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000043210095 567892086 /nfs/dbraw/zinc/89/20/86/567892086.db2.gz XZPLUNMUCJTHDY-UHFFFAOYSA-N 0 0 286.802 5.177 50 0 CKAARN Cc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000043210099 567891988 /nfs/dbraw/zinc/89/19/88/567891988.db2.gz UWLSTLVWXSVOGA-UHFFFAOYSA-N 0 0 299.584 5.186 50 0 CKAARN Cc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000043210101 567892023 /nfs/dbraw/zinc/89/20/23/567892023.db2.gz IQWPXORNOHKPAO-UHFFFAOYSA-N 0 0 299.584 5.186 50 0 CKAARN Cc1cc(C(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000043210111 567892040 /nfs/dbraw/zinc/89/20/40/567892040.db2.gz ROHWOQHCRNKZGO-UHFFFAOYSA-N 0 0 286.802 5.177 50 0 CKAARN Cc1cc(C(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000043210116 326934758 /nfs/dbraw/zinc/93/47/58/326934758.db2.gz ZPLPYXQMCDKASO-UHFFFAOYSA-N 0 0 299.584 5.186 50 0 CKAARN Cc1cc(C(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000043210118 326934823 /nfs/dbraw/zinc/93/48/23/326934823.db2.gz MSIUJRKHARJMPU-UHFFFAOYSA-N 0 0 299.584 5.186 50 0 CKAARN CCSc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000043210165 260188184 /nfs/dbraw/zinc/18/81/84/260188184.db2.gz IPOVSHKYDYEMHH-UHFFFAOYSA-N 0 0 298.451 5.327 50 0 CKAARN CCCCCc1ccc(C(=O)c2ccccc2Cl)cc1 ZINC000043210208 567892473 /nfs/dbraw/zinc/89/24/73/567892473.db2.gz BYKASHPPKBYLOO-UHFFFAOYSA-N 0 0 286.802 5.304 50 0 CKAARN CCCCCc1ccc(C(=O)c2cccc(Cl)c2)cc1 ZINC000043210209 567892345 /nfs/dbraw/zinc/89/23/45/567892345.db2.gz FCBLCKNXAVCPMA-UHFFFAOYSA-N 0 0 286.802 5.304 50 0 CKAARN CCCCCc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000043210210 567892208 /nfs/dbraw/zinc/89/22/08/567892208.db2.gz OZIYFESSQUKNLW-UHFFFAOYSA-N 0 0 286.802 5.304 50 0 CKAARN Cc1cccc(CCC(=O)c2cccc(Cl)c2Cl)c1 ZINC000043212000 174984262 /nfs/dbraw/zinc/98/42/62/174984262.db2.gz YGYDOKPDEOVTHX-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1cccc(CCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000043212002 567892519 /nfs/dbraw/zinc/89/25/19/567892519.db2.gz NDWMOIGIQMMJTQ-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1cccc(CCC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000043212004 174984277 /nfs/dbraw/zinc/98/42/77/174984277.db2.gz DSQXMKROZZQINU-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1cccc(CCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000043212005 567892438 /nfs/dbraw/zinc/89/24/38/567892438.db2.gz KHOUVFGHBASEAF-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1cccc(CCC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000043212007 567892441 /nfs/dbraw/zinc/89/24/41/567892441.db2.gz OVNBNKBETXRVOA-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1ccc(CCC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000043212067 174984285 /nfs/dbraw/zinc/98/42/85/174984285.db2.gz PDYOJLSFHUXWJD-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1ccc(CCC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000043212069 567892397 /nfs/dbraw/zinc/89/23/97/567892397.db2.gz HUVVJBRERDSNOE-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1ccc(CCC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000043212071 567892355 /nfs/dbraw/zinc/89/23/55/567892355.db2.gz XCMWLPLQTMZYOT-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1ccc(CCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000043212072 567892279 /nfs/dbraw/zinc/89/22/79/567892279.db2.gz DHHTYGDGFXQREM-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Cc1ccc(CCC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000043212074 567892337 /nfs/dbraw/zinc/89/23/37/567892337.db2.gz UTQWUVZWCQAEGM-UHFFFAOYSA-N 0 0 293.193 5.117 50 0 CKAARN Clc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000043257985 567892205 /nfs/dbraw/zinc/89/22/05/567892205.db2.gz KWBNAVOHQGGKRR-UHFFFAOYSA-N 0 0 297.572 5.190 50 0 CKAARN ClC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000043620427 175080031 /nfs/dbraw/zinc/08/00/31/175080031.db2.gz JBWKIWSBJXDJDT-UHFFFAOYSA-N 0 0 278.782 5.217 50 0 in-vitro CKAARN CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000043640873 175084635 /nfs/dbraw/zinc/08/46/35/175084635.db2.gz QIDUHGHFWAMMPV-UHFFFAOYSA-N 0 0 258.364 5.041 50 0 CKAARN CCCC[C@@H](CC)Cn1c2ccccc2c2ccccc21 ZINC000043681901 175091132 /nfs/dbraw/zinc/09/11/32/175091132.db2.gz SAXNQWFLHXTRDI-MRXNPFEDSA-N 0 0 279.427 6.011 50 0 CKAARN CCCC[C@H](CC)Cn1c2ccccc2c2ccccc21 ZINC000043681902 175090871 /nfs/dbraw/zinc/09/08/71/175090871.db2.gz SAXNQWFLHXTRDI-INIZCTEOSA-N 0 0 279.427 6.011 50 0 CKAARN COC1=CC2=CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000043759974 567087271 /nfs/dbraw/zinc/08/72/71/567087271.db2.gz JPXLBSACCQTJJU-UEDWAMCQSA-N 0 0 286.459 5.480 50 0 CKAARN CCCCCC(C)(C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000043762750 566917586 /nfs/dbraw/zinc/91/75/86/566917586.db2.gz AEJCPPXYYHULGN-IXDOHACOSA-N 0 0 296.495 5.597 50 0 CKAARN c1ccc(C2CCC3(CC2)Nc2ccccc2S3)cc1 ZINC000043827818 175115224 /nfs/dbraw/zinc/11/52/24/175115224.db2.gz PRHSHSBELQVCKN-UHFFFAOYSA-N 0 0 281.424 5.258 50 0 CKAARN C(=C\c1ccc2ccccc2c1)\c1ccc2ccccc2c1 ZINC000043833729 175114967 /nfs/dbraw/zinc/11/49/67/175114967.db2.gz JOYUAZDDXKUTIY-KTKRTIGZSA-N 0 0 280.370 6.163 50 0 CKAARN CC(C)(C)Sc1cc(Cl)cc(SC(C)(C)C)c1 ZINC000044069126 175140463 /nfs/dbraw/zinc/14/04/63/175140463.db2.gz QVEUHOXOWGXTJG-UHFFFAOYSA-N 0 0 288.909 6.121 50 0 CKAARN CC(C)Sc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000044085300 175140964 /nfs/dbraw/zinc/14/09/64/175140964.db2.gz XLQMIZYEGCEPCP-UHFFFAOYSA-N 0 0 294.423 5.040 50 0 CKAARN CCCCCCNC(=O)N(c1ccccc1)c1ccccc1 ZINC000044122859 175143157 /nfs/dbraw/zinc/14/31/57/175143157.db2.gz KLSMWXFMMNUXAM-UHFFFAOYSA-N 0 0 296.414 5.115 50 0 CKAARN Cc1cc(N)cc(Cl)c1Sc1ccc(Cl)cc1 ZINC000044122954 175143206 /nfs/dbraw/zinc/14/32/06/175143206.db2.gz RMSFQZRUKLKPRH-UHFFFAOYSA-N 0 0 284.211 5.035 50 0 CKAARN CCc1cccc(CC)c1C(=O)c1c(CC)cccc1CC ZINC000044559803 566917582 /nfs/dbraw/zinc/91/75/82/566917582.db2.gz UCYGAFUMWXFAJO-UHFFFAOYSA-N 0 0 294.438 5.167 50 0 CKAARN CC(C)(C)n1ccc(-c2ccc(-c3cccs3)s2)n1 ZINC000044676413 175226855 /nfs/dbraw/zinc/22/68/55/175226855.db2.gz HFKFPEXKONIOLS-UHFFFAOYSA-N 0 0 288.441 5.095 50 0 CKAARN O=C1C[C@H](c2ccccc2)Cc2ccc(-c3ccccc3)cc21 ZINC000045069607 175300589 /nfs/dbraw/zinc/30/05/89/175300589.db2.gz DXQQXQHQYOBIFF-HXUWFJFHSA-N 0 0 298.385 5.266 50 0 CKAARN O=C1C[C@@H](c2ccccc2)Cc2ccc(-c3ccccc3)cc21 ZINC000045069610 175300830 /nfs/dbraw/zinc/30/08/30/175300830.db2.gz DXQQXQHQYOBIFF-FQEVSTJZSA-N 0 0 298.385 5.266 50 0 CKAARN C[C@]1(O)C[C@]23C=CC[C@@]2(C1)CCCCCCCCCC3 ZINC000045072054 328754598 /nfs/dbraw/zinc/75/45/98/328754598.db2.gz JWKAJQXGPNNIKT-GBESFXJTSA-N 0 0 276.464 5.379 50 0 CKAARN CCCCCC[C@](C)(Sc1ccccc1)C(C)=O ZINC000045074604 328754610 /nfs/dbraw/zinc/75/46/10/328754610.db2.gz PLSRHMUPDIBMNR-INIZCTEOSA-N 0 0 264.434 5.097 50 0 CKAARN CCCCCC[C@@](C)(Sc1ccccc1)C(C)=O ZINC000045074605 328754625 /nfs/dbraw/zinc/75/46/25/328754625.db2.gz PLSRHMUPDIBMNR-MRXNPFEDSA-N 0 0 264.434 5.097 50 0 CKAARN Clc1c2ccccc2nc2c3ccccc3ccc12 ZINC000048520920 567090500 /nfs/dbraw/zinc/09/05/00/567090500.db2.gz YNTMIEJJICGRRP-UHFFFAOYSA-N 0 0 263.727 5.195 50 0 CKAARN CC[C@@H]1C(=O)C[C@@H](c2ccccc2)S[C@H]1c1ccccc1 ZINC000048523732 567091146 /nfs/dbraw/zinc/09/11/46/567091146.db2.gz QGJMKGSPIBIYGO-NEWSRXKRSA-N 0 0 296.435 5.201 50 0 CKAARN CC[C@@H]1C(=O)C[C@@H](c2ccccc2)S[C@@H]1c1ccccc1 ZINC000048523736 567892882 /nfs/dbraw/zinc/89/28/82/567892882.db2.gz QGJMKGSPIBIYGO-NZSAHSFTSA-N 0 0 296.435 5.201 50 0 CKAARN c1ccc(C2(c3ccccc3)C=Cc3ccccc3N2)cc1 ZINC000048524009 567091270 /nfs/dbraw/zinc/09/12/70/567091270.db2.gz ZFSMCMOHBUHGHC-UHFFFAOYSA-N 0 0 283.374 5.069 50 0 CKAARN Clc1ccc(Cl)c(NCc2c[nH]c3ccccc23)c1 ZINC000048547668 567923980 /nfs/dbraw/zinc/92/39/80/567923980.db2.gz HPIVAUZRYHPTBN-UHFFFAOYSA-N 0 0 291.181 5.087 50 0 CKAARN C(=C/C=C/c1ccc2ccccc2c1)\C=C\c1ccccc1 ZINC000049131990 567893099 /nfs/dbraw/zinc/89/30/99/567893099.db2.gz FVHQIEVOPVGNMM-MLURBKCCSA-N 0 0 282.386 6.123 50 0 CKAARN c1ccc(C23CC4CC(C2)CC(c2ccccc2)(C4)C3)cc1 ZINC000049135185 175464833 /nfs/dbraw/zinc/46/48/33/175464833.db2.gz FLWCFYNNDXUQAK-UHFFFAOYSA-N 0 0 288.434 5.476 50 0 CKAARN C(CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000049309497 570300410 /nfs/dbraw/zinc/30/04/10/570300410.db2.gz QHOHVQMXSAPBPK-UHFFFAOYSA-N 0 0 298.514 6.199 50 0 CKAARN Clc1ccc(/C=C2\C=Cc3ccccc32)c(Cl)c1 ZINC000049574157 567946832 /nfs/dbraw/zinc/94/68/32/567946832.db2.gz RKSGMKSYLFGTGH-FMIVXFBMSA-N 0 0 273.162 5.561 50 0 CKAARN c1ccc(-c2ccc([C@H]3C=Cc4ccccc4C3)cc2)cc1 ZINC000049581136 567883106 /nfs/dbraw/zinc/88/31/06/567883106.db2.gz ZWNSTLVIVXZVBW-QFIPXVFZSA-N 0 0 282.386 5.707 50 0 in-vitro CKAARN c1ccc(-c2ccc([C@@H]3C=Cc4ccccc4C3)cc2)cc1 ZINC000049581137 567883210 /nfs/dbraw/zinc/88/32/10/567883210.db2.gz ZWNSTLVIVXZVBW-JOCHJYFZSA-N 0 0 282.386 5.707 50 0 in-vitro CKAARN CCCC1CCC(c2ccc(Br)cc2)CC1 ZINC000049588349 175489915 /nfs/dbraw/zinc/48/99/15/175489915.db2.gz GMZABADCQVWQPS-UHFFFAOYSA-N 0 0 281.237 5.523 50 0 CKAARN CCCCc1ccc(-c2ccc(Br)cc2)cc1 ZINC000049588459 567893602 /nfs/dbraw/zinc/89/36/02/567893602.db2.gz KAWPTSPOSZBAHH-UHFFFAOYSA-N 0 0 289.216 5.459 50 0 CKAARN CCC1CCC(c2ccc(Br)cc2)CC1 ZINC000049588472 567893496 /nfs/dbraw/zinc/89/34/96/567893496.db2.gz UZNPLXSOLSAKGB-UHFFFAOYSA-N 0 0 267.210 5.133 50 0 CKAARN CCCCC1CCC(c2ccc(Br)cc2)CC1 ZINC000049588474 567893696 /nfs/dbraw/zinc/89/36/96/567893696.db2.gz NFLACFCPGPQOFJ-UHFFFAOYSA-N 0 0 295.264 5.913 50 0 CKAARN c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1 ZINC000049772149 567946886 /nfs/dbraw/zinc/94/68/86/567946886.db2.gz NLTKCRFWOKREQZ-UHFFFAOYSA-N 0 0 280.370 6.174 50 0 CKAARN C(=C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000049942697 567893800 /nfs/dbraw/zinc/89/38/00/567893800.db2.gz RMQMLYMBZGDKBY-UHFFFAOYSA-N 0 0 254.332 5.256 50 0 CKAARN Cc1ccc(C)c2c1C1c3ccccc3C2c2ccccc21 ZINC000049950976 567893807 /nfs/dbraw/zinc/89/38/07/567893807.db2.gz PCGUPPDXVDODQN-UHFFFAOYSA-N 0 0 282.386 5.291 50 0 CKAARN Cc1cc2c(cc1C)C1c3ccccc3C2c2ccccc21 ZINC000049950977 567893880 /nfs/dbraw/zinc/89/38/80/567893880.db2.gz OBAQDOIKWAMJOW-UHFFFAOYSA-N 0 0 282.386 5.291 50 0 CKAARN CC[C@](C)(c1ccccc1)[C@@](C)(CC)c1ccccc1 ZINC000049952225 175505755 /nfs/dbraw/zinc/50/57/55/175505755.db2.gz WQJUBZMZVKITBU-BGYRXZFFSA-N 0 0 266.428 5.722 50 0 CKAARN c1ccc(C2C(c3ccccc3)C2c2ccccc2)cc1 ZINC000049992049 567946796 /nfs/dbraw/zinc/94/67/96/567946796.db2.gz SWBZWABPZJLYBW-UHFFFAOYSA-N 0 0 270.375 5.351 50 0 CKAARN CC1=C(C)[C@@]2(C)C[C@@]3(Cl)C(C)=C(C)[C@@]3(Cl)C[C@@]12C ZINC000051133960 567941619 /nfs/dbraw/zinc/94/16/19/567941619.db2.gz QSAFXRFRAQGDED-GEEKYZPCSA-N 0 0 285.258 5.448 50 0 CKAARN CC1=C(C)[C@]2(C)C[C@]3(Cl)C(C)=C(C)[C@]3(Cl)C[C@@]12C ZINC000051133962 567941601 /nfs/dbraw/zinc/94/16/01/567941601.db2.gz QSAFXRFRAQGDED-YHUYYLMFSA-N 0 0 285.258 5.448 50 0 CKAARN c1ccc2c(c1)CCC[C@@H]2C12CC3CC(CC(C3)C1)C2 ZINC000051134300 567941595 /nfs/dbraw/zinc/94/15/95/567941595.db2.gz HLAIOSOAGJMDAW-BTCBHJBXSA-N 0 0 266.428 5.323 50 0 CKAARN c1ccc2c(c1)CCC[C@H]2C12CC3CC(CC(C3)C1)C2 ZINC000051134302 567941615 /nfs/dbraw/zinc/94/16/15/567941615.db2.gz HLAIOSOAGJMDAW-JCFBCRGFSA-N 0 0 266.428 5.323 50 0 CKAARN Clc1ccc(C=C(c2ccccc2)c2ccccc2)cc1 ZINC000051145225 175523508 /nfs/dbraw/zinc/52/35/08/175523508.db2.gz NWPFYBDLRQXMNQ-UHFFFAOYSA-N 0 0 290.793 5.929 50 0 CKAARN Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C ZINC000051943640 175527996 /nfs/dbraw/zinc/52/79/96/175527996.db2.gz ONNHBALCPUEXBT-UHFFFAOYSA-N 0 0 281.237 5.107 50 0 CKAARN CCCCCC1CCC(C2CCC(CO)CC2)CC1 ZINC000055167858 570240936 /nfs/dbraw/zinc/24/09/36/570240936.db2.gz ZGQDWQYYUGUDAA-UHFFFAOYSA-N 0 0 266.469 5.172 50 0 CKAARN c1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000057469871 567213258 /nfs/dbraw/zinc/21/32/58/567213258.db2.gz MMONGWKFKMTXRL-UHFFFAOYSA-N 0 0 262.396 5.308 50 0 CKAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2c(C)cccc2C(C)C)C1(C)C ZINC000058061183 567895341 /nfs/dbraw/zinc/89/53/41/567895341.db2.gz XQCVIARVGYDQHF-IRXDYDNUSA-N 0 0 299.458 5.295 50 0 CKAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2c(C)cccc2C(C)C)C1(C)C ZINC000058061185 567895563 /nfs/dbraw/zinc/89/55/63/567895563.db2.gz XQCVIARVGYDQHF-DLBZAZTESA-N 0 0 299.458 5.295 50 0 CKAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(C)cccc2C(C)C)C1(C)C ZINC000058061188 175607379 /nfs/dbraw/zinc/60/73/79/175607379.db2.gz XQCVIARVGYDQHF-SJORKVTESA-N 0 0 299.458 5.295 50 0 CKAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2c(C)cccc2C(C)C)C1(C)C ZINC000058061192 175607349 /nfs/dbraw/zinc/60/73/49/175607349.db2.gz XQCVIARVGYDQHF-IAGOWNOFSA-N 0 0 299.458 5.295 50 0 CKAARN Cc1[nH]c2ccccc2c1-c1csc(-c2ccsc2)n1 ZINC000058262776 525430969 /nfs/dbraw/zinc/43/09/69/525430969.db2.gz MMYOSVMHICRVGR-UHFFFAOYSA-N 0 0 296.420 5.328 50 0 CKAARN C(=C/c1nc(-c2ccccc2)cs1)\c1ccsc1 ZINC000058746300 567896332 /nfs/dbraw/zinc/89/63/32/567896332.db2.gz MABFNJBFJNOCIR-VOTSOKGWSA-N 0 0 269.394 5.042 50 0 CKAARN CCCCCNC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000058829237 175629107 /nfs/dbraw/zinc/62/91/07/175629107.db2.gz HHGHQTNXQOZKFT-UHFFFAOYSA-N 0 0 290.451 5.245 50 0 CKAARN Brc1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000059268724 567896283 /nfs/dbraw/zinc/89/62/83/567896283.db2.gz WCXFCLXZMIFHBU-UHFFFAOYSA-N 0 0 281.152 5.250 50 0 CKAARN C1=C(c2ccccc2)[C@@H]2CC=C(c3ccccc3)[C@H]2C1 ZINC000059593657 567896610 /nfs/dbraw/zinc/89/66/10/567896610.db2.gz IEWYLVULSUMUEM-BGYRXZFFSA-N 0 0 258.364 5.193 50 0 CKAARN C1C2CC3CC1CC(C2)C3=C1C2CC3CC(C2)CC1C3 ZINC000059803725 175633573 /nfs/dbraw/zinc/63/35/73/175633573.db2.gz KRDXURLKZNAXAQ-UHFFFAOYSA-N 0 0 268.444 5.195 50 0 CKAARN Cc1csc(S[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000059928546 567868529 /nfs/dbraw/zinc/86/85/29/567868529.db2.gz GKFMBJCYEPVCAR-QMMMGPOBSA-N 0 0 287.812 5.097 50 0 CKAARN Cc1csc(S[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000059928549 567868348 /nfs/dbraw/zinc/86/83/48/567868348.db2.gz GKFMBJCYEPVCAR-MRVPVSSYSA-N 0 0 287.812 5.097 50 0 CKAARN Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000062557118 175669319 /nfs/dbraw/zinc/66/93/19/175669319.db2.gz JZFBZZAWFVQIGT-UHFFFAOYSA-N 0 0 278.138 5.110 50 0 CKAARN FC(F)(F)c1cc(Cl)c(Cl)cc1C(F)(F)F ZINC000063361160 567897454 /nfs/dbraw/zinc/89/74/54/567897454.db2.gz FHLISUPNJJTGGL-UHFFFAOYSA-N 0 0 282.998 5.031 50 0 CKAARN Cc1cc(-c2ccccc2)c(C)cc1-c1ccccc1 ZINC000063363116 175686450 /nfs/dbraw/zinc/68/64/50/175686450.db2.gz TUSIRMATSRRTEJ-UHFFFAOYSA-N 0 0 258.364 5.637 50 0 CKAARN C(/C=C/C=C/c1ccccc1)=C\C=C\c1ccccc1 ZINC000063598749 567897489 /nfs/dbraw/zinc/89/74/89/567897489.db2.gz ZENGMMQJMCPHTK-FPPPDJHPSA-N 0 0 258.364 5.526 50 0 CKAARN Cc1ccccc1/C=C/C=C/C=C/c1ccccc1C ZINC000063607825 567897443 /nfs/dbraw/zinc/89/74/43/567897443.db2.gz QXHUVSSVWUFDQV-REYFNOPDSA-N 0 0 260.380 5.586 50 0 CKAARN C1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C2)C3 ZINC000064076288 175690293 /nfs/dbraw/zinc/69/02/93/175690293.db2.gz MPXKIFWZOQVOLN-UHFFFAOYSA-N 0 0 270.460 5.419 50 0 CKAARN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000064219762 175690759 /nfs/dbraw/zinc/69/07/59/175690759.db2.gz XOJVVFBFDXDTEG-KDURUIRLSA-N 0 0 268.529 7.082 50 0 endogenous,in-man CKAARN Oc1cc(-c2ccc(Cl)cc2Cl)ccc1Cl ZINC000065343498 567898657 /nfs/dbraw/zinc/89/86/57/567898657.db2.gz ZLKBSRDGBIPMSV-UHFFFAOYSA-N 0 0 273.546 5.019 50 0 CKAARN Cc1ccc(-c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000065532260 567009553 /nfs/dbraw/zinc/00/95/53/567009553.db2.gz WSDSJZBAMLLXQW-UHFFFAOYSA-N 0 0 296.373 5.272 50 0 CKAARN Cc1sc(-c2ccccc2O)nc1-c1cc(C)ccc1C ZINC000065565535 567930480 /nfs/dbraw/zinc/93/04/80/567930480.db2.gz VHEGQCFYWCCKFO-UHFFFAOYSA-N 0 0 295.407 5.108 50 0 CKAARN Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1 ZINC000066325975 175756899 /nfs/dbraw/zinc/75/68/99/175756899.db2.gz VUTZFAOGDXUYEJ-UHFFFAOYSA-N 0 0 292.809 5.526 50 0 CKAARN FC(F)(c1ccccc1)c1cc(Cl)ccc1Cl ZINC000066330528 327079888 /nfs/dbraw/zinc/07/98/88/327079888.db2.gz HBOQAJVHNVMPJM-UHFFFAOYSA-N 0 0 273.109 5.134 50 0 CKAARN CCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000066351964 567899865 /nfs/dbraw/zinc/89/98/65/567899865.db2.gz XDMMLICZIBJWLM-UHFFFAOYSA-N 0 0 282.402 6.177 50 0 CKAARN CCc1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000067321654 567197742 /nfs/dbraw/zinc/19/77/42/567197742.db2.gz CRYSNAXUOAQUPF-UHFFFAOYSA-N 0 0 294.423 5.425 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccccc3F)n2)cc1 ZINC000067321656 567196581 /nfs/dbraw/zinc/19/65/81/567196581.db2.gz CDPKHDRXBRSBQL-UHFFFAOYSA-N 0 0 284.359 5.001 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccccc3C)n2)c(C)c1 ZINC000067321676 567196990 /nfs/dbraw/zinc/19/69/90/567196990.db2.gz DVNQZZIXCWJSSG-UHFFFAOYSA-N 0 0 294.423 5.479 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccccc3F)n2)c(C)c1 ZINC000067321678 175773319 /nfs/dbraw/zinc/77/33/19/175773319.db2.gz LWEURBSKSWYJRN-UHFFFAOYSA-N 0 0 298.386 5.310 50 0 CKAARN Cc1ccc(-c2csc(Nc3ccc(F)cc3)n2)c(C)c1 ZINC000067321680 567197057 /nfs/dbraw/zinc/19/70/57/567197057.db2.gz HNQCHPUYUCDXBR-UHFFFAOYSA-N 0 0 298.386 5.310 50 0 CKAARN Clc1cccc(-c2csc(Nc3ccccc3)n2)c1 ZINC000067321845 567197667 /nfs/dbraw/zinc/19/76/67/567197667.db2.gz NEKLZNGBSYOSBN-UHFFFAOYSA-N 0 0 286.787 5.207 50 0 CKAARN c1ccc(CC(Cc2ccccc2)c2ccccc2)cc1 ZINC000067730106 567900252 /nfs/dbraw/zinc/90/02/52/567900252.db2.gz GDPISEKNRFFKMM-UHFFFAOYSA-N 0 0 272.391 5.256 50 0 CKAARN Cc1ccc2c(c1C)CC[C@@H]1[C@@H]2CC[C@H]2CCCC[C@@]21C ZINC000068562563 567901076 /nfs/dbraw/zinc/90/10/76/567901076.db2.gz AIBYDQVULQUSCX-OTNPHJDUSA-N 0 0 282.471 5.940 50 0 CKAARN C(=C/c1cccc(/C=C\c2ccccc2)c1)\c1ccccc1 ZINC000068563149 567901108 /nfs/dbraw/zinc/90/11/08/567901108.db2.gz BJZZCHRYTNIBCS-QUDUTFMFSA-N 0 0 282.386 6.027 50 0 CKAARN Cl/C(=C\c1ccccc1)c1cccc2ccccc21 ZINC000068563564 567900928 /nfs/dbraw/zinc/90/09/28/567900928.db2.gz QSJMESKWWAZLQI-AQTBWJFISA-N 0 0 264.755 5.577 50 0 CKAARN Cl/C(=C\c1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000068563582 567901249 /nfs/dbraw/zinc/90/12/49/567901249.db2.gz YGHHDQZGTTZENI-UYRXBGFRSA-N 0 0 290.793 5.675 50 0 CKAARN Cc1ccc(-c2cccc3ccccc32)c2ccccc12 ZINC000068566295 567900912 /nfs/dbraw/zinc/90/09/12/567900912.db2.gz QHIHDPRSJIBZKU-UHFFFAOYSA-N 0 0 268.359 5.968 50 0 CKAARN CC12c3ccccc3C(C)(c3ccccc31)c1ccccc12 ZINC000068568342 175811097 /nfs/dbraw/zinc/81/10/97/175811097.db2.gz UAGSYLDTDRCQAE-UHFFFAOYSA-N 0 0 282.386 5.022 50 0 CKAARN c1ccc(-c2cccc3cccc(-c4ccccc4)c32)cc1 ZINC000068568348 567900932 /nfs/dbraw/zinc/90/09/32/567900932.db2.gz UILAXRLAMSAWSG-UHFFFAOYSA-N 0 0 280.370 6.174 50 0 CKAARN c1ccc2c(c1)-c1ccc(cc1)CCc1ccc-2cc1 ZINC000068568374 567901038 /nfs/dbraw/zinc/90/10/38/567901038.db2.gz HLRLLIQOJKICQY-UHFFFAOYSA-N 0 0 256.348 5.119 50 0 CKAARN c1ccc(C2=CC=CC3=CC=CC(c4ccccc4)=C2C3)cc1 ZINC000068568420 567901256 /nfs/dbraw/zinc/90/12/56/567901256.db2.gz QPEREZABUVXLNL-UHFFFAOYSA-N 0 0 294.397 5.980 50 0 CKAARN c1ccc2c(c1)-c1ccc3c4c1[C@@H]2C=C[C@@H]4c1ccccc1-3 ZINC000068568454 567901059 /nfs/dbraw/zinc/90/10/59/567901059.db2.gz CKEWCUMDHCOPHW-IEBWSBKVSA-N 0 0 278.354 5.481 50 0 CKAARN c1ccc2c(c1)-c1ccc3c4c1[C@@H]2C=C[C@H]4c1ccccc1-3 ZINC000068568456 567901248 /nfs/dbraw/zinc/90/12/48/567901248.db2.gz CKEWCUMDHCOPHW-IZAXUBKRSA-N 0 0 278.354 5.481 50 0 CKAARN c1ccc2c(c1)-c1ccc3c4c1[C@H]2C=C[C@H]4c1ccccc1-3 ZINC000068568459 175811345 /nfs/dbraw/zinc/81/13/45/175811345.db2.gz CKEWCUMDHCOPHW-HKUYNNGSSA-N 0 0 278.354 5.481 50 0 CKAARN Clc1cc2c(cc1Cl)-c1cc(Cl)c(Cl)cc1-2 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XLQLNZMROXUGRF-UPGMHYFXSA-N 0 0 276.439 5.677 50 0 CKAARN Cc1c(C(C)C)cc(C(C)C)cc1[C@H]1O[C@H](C)[C@H](C)O1 ZINC000254761905 570374403 /nfs/dbraw/zinc/37/44/03/570374403.db2.gz XNWWGQRTIVXFKO-UOIKSKOESA-N 0 0 276.420 5.064 50 0 CKAARN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000254846776 567100741 /nfs/dbraw/zinc/10/07/41/567100741.db2.gz WJRVFKSWAPLNHT-JXUVHZKSSA-N 0 0 290.491 5.434 50 0 CKAARN COC1=CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000254870063 567099349 /nfs/dbraw/zinc/09/93/49/567099349.db2.gz UWXPNUISGKFWPT-IYHZHHKNSA-N 0 0 288.475 5.559 50 0 CKAARN COC1=CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257346198 190037657 /nfs/dbraw/zinc/03/76/57/190037657.db2.gz UWXPNUISGKFWPT-LBCBGTHCSA-N 0 0 288.475 5.559 50 0 CKAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CCC=C[C@@]3(C)[C@H]1CC2 ZINC000257346237 190037917 /nfs/dbraw/zinc/03/79/17/190037917.db2.gz VYLBHVHOLJBIFH-JWXAEQQXSA-N 0 0 258.449 5.585 50 0 CKAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CCC=C[C@]3(C)[C@H]1CC2 ZINC000257346238 190037914 /nfs/dbraw/zinc/03/79/14/190037914.db2.gz VYLBHVHOLJBIFH-QWFUGVESSA-N 0 0 258.449 5.585 50 0 CKAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CCC=C[C@@]3(C)[C@@H]1CC2 ZINC000257346239 190037622 /nfs/dbraw/zinc/03/76/22/190037622.db2.gz VYLBHVHOLJBIFH-RWLNFDPSSA-N 0 0 258.449 5.585 50 0 CKAARN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)CCC[C@H]4[C@H]3CC[C@H]2C1 ZINC000257346259 190037855 /nfs/dbraw/zinc/03/78/55/190037855.db2.gz WJRVFKSWAPLNHT-QEXSQPQCSA-N 0 0 290.491 5.434 50 0 CKAARN COC1=CC2=CC[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]3[C@]2(C)CC1 ZINC000257346480 567099867 /nfs/dbraw/zinc/09/98/67/567099867.db2.gz JPXLBSACCQTJJU-LASHMREHSA-N 0 0 286.459 5.480 50 0 CKAARN COC1=CC2=CC[C@@H]3[C@H]4CCC[C@@]4(C)CC[C@H]3[C@]2(C)CC1 ZINC000257346481 567099266 /nfs/dbraw/zinc/09/92/66/567099266.db2.gz JPXLBSACCQTJJU-LTFPLMDUSA-N 0 0 286.459 5.480 50 0 CKAARN COC1=CC2=CC[C@@H]3[C@H]4CCC[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000257346482 328758043 /nfs/dbraw/zinc/75/80/43/328758043.db2.gz JPXLBSACCQTJJU-WAPOTWQKSA-N 0 0 286.459 5.480 50 0 CKAARN CC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257356717 190037573 /nfs/dbraw/zinc/03/75/73/190037573.db2.gz JWMFYGXQPXQEEM-FVVROYIQSA-N 0 0 288.519 6.445 50 0 CKAARN CC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257356718 190037597 /nfs/dbraw/zinc/03/75/97/190037597.db2.gz JWMFYGXQPXQEEM-KEDMDAKRSA-N 0 0 288.519 6.445 50 0 CKAARN CC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257356719 190037628 /nfs/dbraw/zinc/03/76/28/190037628.db2.gz JWMFYGXQPXQEEM-MIDILNBFSA-N 0 0 288.519 6.445 50 0 CKAARN CC[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000257356720 190037531 /nfs/dbraw/zinc/03/75/31/190037531.db2.gz JWMFYGXQPXQEEM-YICFOJQDSA-N 0 0 288.519 6.445 50 0 CKAARN CSc1ccc(NC(C)(C)CC(C)(C)C)cc1 ZINC000257373337 190038110 /nfs/dbraw/zinc/03/81/10/190038110.db2.gz WWEZCRIJFFRTOB-UHFFFAOYSA-N 0 0 251.439 5.035 50 0 CKAARN CCCC[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1 ZINC000261493543 190039196 /nfs/dbraw/zinc/03/91/96/190039196.db2.gz DFXIHNMPVOKLSR-HDJSIYSDSA-N 0 0 250.813 5.804 50 0 CKAARN CC(C)(C)[Si](C)(C)n1ccc2cc(Cl)ccc21 ZINC000261494291 190039685 /nfs/dbraw/zinc/03/96/85/190039685.db2.gz UHWBDMUXARQNOB-UHFFFAOYSA-N 0 0 265.860 5.148 50 0 CKAARN Clc1ccc2cc(OCc3ccccc3)ccc2c1 ZINC000261494529 190039785 /nfs/dbraw/zinc/03/97/85/190039785.db2.gz ZUHPHTRCVUYWGI-UHFFFAOYSA-N 0 0 268.743 5.072 50 0 CKAARN Cc1ccc([C@H]2CC[C@H](C3CCC(=O)CC3)CC2)cc1 ZINC000514251329 329119172 /nfs/dbraw/zinc/11/91/72/329119172.db2.gz KPISRXVEAOLMIF-QAQDUYKDSA-N 0 0 270.416 5.028 50 0 CKAARN CCCCC[C@H]1CC[C@H](C2CCC(CO)CC2)CC1 ZINC000514286863 567859188 /nfs/dbraw/zinc/85/91/88/567859188.db2.gz ZGQDWQYYUGUDAA-HFFNAHSWSA-N 0 0 266.469 5.172 50 0 CKAARN CC1(Nc2ccc3c(c2)-c2ccccc2C3)CCCCC1 ZINC000526058845 567927933 /nfs/dbraw/zinc/92/79/33/567927933.db2.gz KVVVEBZCDYJNCD-UHFFFAOYSA-N 0 0 277.411 5.393 50 0 CKAARN CC1=C2c3ccc(C)c(C)c3C(C)=C2c2ccccc21 ZINC000575332762 570345113 /nfs/dbraw/zinc/34/51/13/570345113.db2.gz WCHIIWWYFVDLMC-UHFFFAOYSA-N 0 0 258.364 5.492 50 0 CKAARN Fc1ccc(-c2cccc(C3CCC3)c2)c2cc[nH]c21 ZINC000685942211 570318421 /nfs/dbraw/zinc/31/84/21/570318421.db2.gz HJJJLFYULAWRSM-UHFFFAOYSA-N 0 0 265.331 5.242 50 0 CKAARN C[Si](C)(C)CCSCc1c(Cl)cccc1Cl ZINC000725244873 567908333 /nfs/dbraw/zinc/90/83/33/567908333.db2.gz BUQKWSKZLCLUPY-UHFFFAOYSA-N 0 0 293.335 5.565 50 0 CKAARN C[Si](C)(C)CCSCc1ccc(F)cc1Cl ZINC000725245119 567908346 /nfs/dbraw/zinc/90/83/46/567908346.db2.gz FGJUUOLTZBPGKZ-UHFFFAOYSA-N 0 0 276.880 5.051 50 0 CKAARN C[Si](C)(C)CCSCc1ccc(Cl)c(Cl)c1 ZINC000725245561 567908176 /nfs/dbraw/zinc/90/81/76/567908176.db2.gz KHKUXWFBSRFJNI-UHFFFAOYSA-N 0 0 293.335 5.565 50 0 CKAARN Cc1cc(C)c(CSCC[Si](C)(C)C)c(C)c1 ZINC000725246307 567908219 /nfs/dbraw/zinc/90/82/19/567908219.db2.gz UEHSCBZCXYUITB-UHFFFAOYSA-N 0 0 266.526 5.183 50 0 CKAARN C[Si](C)(C)CCSCc1ccc(Cl)cc1Cl ZINC000725246461 570255795 /nfs/dbraw/zinc/25/57/95/570255795.db2.gz WWRFIJCKOMTVBG-UHFFFAOYSA-N 0 0 293.335 5.565 50 0 CKAARN C[Si](C)(C)CCSCc1c(F)cccc1Cl ZINC000725246552 567908413 /nfs/dbraw/zinc/90/84/13/567908413.db2.gz YDWFOCAYLDABJE-UHFFFAOYSA-N 0 0 276.880 5.051 50 0 CKAARN Fc1cc(Cl)c(-c2ccnc(C(F)F)c2)c(Cl)c1 ZINC000725273732 570264002 /nfs/dbraw/zinc/26/40/02/570264002.db2.gz YIAVXWHULUVMSQ-UHFFFAOYSA-N 0 0 292.087 5.132 50 0 CKAARN