smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1nc(-c2ccccc2)sc1CNC1CC1 ZINC000082438768 178017366 /nfs/dbraw/zinc/01/73/66/178017366.db2.gz XHNIBLBOUKKRPU-UHFFFAOYSA-N 0 3 286.444 4.360 10 0 CIAEHN Cc1ccc(CN[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504861 178069082 /nfs/dbraw/zinc/06/90/82/178069082.db2.gz HWMBWIZAVRLIGW-KRWDZBQOSA-N 0 3 281.399 4.387 10 0 CIAEHN COc1ccc(CN[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504906 178069367 /nfs/dbraw/zinc/06/93/67/178069367.db2.gz AEAFVAAEVDSZTE-KRWDZBQOSA-N 0 3 297.398 4.087 10 0 CIAEHN CCN[C@@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505637 178070032 /nfs/dbraw/zinc/07/00/32/178070032.db2.gz IDUDNLHPUQIJRZ-LLVKDONJSA-N 0 3 267.800 4.169 10 0 CIAEHN CN[C@H]1CC2(CCCCC2)Oc2ccc(Cl)cc21 ZINC000082509134 178075306 /nfs/dbraw/zinc/07/53/06/178075306.db2.gz VCUJPCFEUJLDSS-ZDUSSCGKSA-N 0 3 265.784 4.086 10 0 CIAEHN C[C@@H](CSC(F)(F)F)NCc1ccc(Cl)cc1 ZINC000095918362 185030936 /nfs/dbraw/zinc/03/09/36/185030936.db2.gz WRFLMMWWESYABX-QMMMGPOBSA-N 0 3 283.746 4.071 10 0 CIAEHN CCC(CC)[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000104434488 186000826 /nfs/dbraw/zinc/00/08/26/186000826.db2.gz UNJAIXZTHJUTBA-WDEREUQCSA-N 0 3 255.352 4.440 10 0 CIAEHN C[C@H]1CC[C@@H](NCc2cccc(Cl)c2F)CC1 ZINC000106260440 186105653 /nfs/dbraw/zinc/10/56/53/186105653.db2.gz IWZWIMLEKSSSPG-UMSPYCQHSA-N 0 3 255.764 4.147 10 0 CIAEHN Cc1ccc([C@H](N)c2cc(Cl)ccc2Cl)s1 ZINC000019969722 170952866 /nfs/dbraw/zinc/95/28/66/170952866.db2.gz QZGLOSHCOXAZPQ-GFCCVEGCSA-N 0 3 272.200 4.411 10 0 CIAEHN CCc1ccc([C@H](N)Cc2ccccc2Cl)s1 ZINC000019970742 170954114 /nfs/dbraw/zinc/95/41/14/170954114.db2.gz WYDAUDJWIUNWRA-CYBMUJFWSA-N 0 3 265.809 4.206 10 0 CIAEHN CC(C)c1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000020121137 171000116 /nfs/dbraw/zinc/00/01/16/171000116.db2.gz ASTXXMSLYDUVHT-CQSZACIVSA-N 0 3 254.377 4.056 10 0 CIAEHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccncc2)c(C)c1 ZINC000020121400 171000271 /nfs/dbraw/zinc/00/02/71/171000271.db2.gz MTMUFIQESHPNRQ-JKSUJKDBSA-N 0 3 268.404 4.419 10 0 CIAEHN CC[C@H](N[C@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121320 171000298 /nfs/dbraw/zinc/00/02/98/171000298.db2.gz VTNBFPKEMKBRTL-WBMJQRKESA-N 0 3 258.340 4.023 10 0 CIAEHN CC[C@H](N[C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121318 171000420 /nfs/dbraw/zinc/00/04/20/171000420.db2.gz VTNBFPKEMKBRTL-LRDDRELGSA-N 0 3 258.340 4.023 10 0 CIAEHN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1ccccn1 ZINC000020123294 171004273 /nfs/dbraw/zinc/00/42/73/171004273.db2.gz LXTQNPBMAPHNSI-RDTXWAMCSA-N 0 3 266.388 4.200 10 0 CIAEHN COc1ccccc1[C@@H](C)N[C@H](C)c1ccccc1C ZINC000020126162 171009930 /nfs/dbraw/zinc/00/99/30/171009930.db2.gz DWGSADHSSNUSRH-HUUCEWRRSA-N 0 3 269.388 4.415 10 0 CIAEHN COc1cc([C@@H](C)N[C@@H](C)c2ccccc2C)ccc1O ZINC000020126260 171010353 /nfs/dbraw/zinc/01/03/53/171010353.db2.gz DAFCAAMSYBQUTE-KGLIPLIRSA-N 0 3 285.387 4.121 10 0 CIAEHN FC(F)Oc1ccc(CN[C@H]2CCc3ccccc32)cc1 ZINC000020129647 171017925 /nfs/dbraw/zinc/01/79/25/171017925.db2.gz WSIYHFCLGRAOTN-INIZCTEOSA-N 0 3 289.325 4.065 10 0 CIAEHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000020129887 171018779 /nfs/dbraw/zinc/01/87/79/171018779.db2.gz ZVRNXVBSIKXWPO-DIFFPNOSSA-N 0 3 273.326 4.303 10 0 CIAEHN CC(C)Cc1ccc([C@@H](C)NCc2ccncc2)cc1 ZINC000020140047 171026725 /nfs/dbraw/zinc/02/67/25/171026725.db2.gz GOFZXAUAQUHXNG-OAHLLOKOSA-N 0 3 268.404 4.131 10 0 CIAEHN CCC[C@H](NCc1ccncc1)c1ccc(Cl)cc1 ZINC000020140447 171026834 /nfs/dbraw/zinc/02/68/34/171026834.db2.gz ZAKFWPXXYRMHCE-INIZCTEOSA-N 0 3 274.795 4.366 10 0 CIAEHN C[C@@H](N[C@H](C)c1cccc(F)c1)c1cccc(F)c1 ZINC000020148004 171035569 /nfs/dbraw/zinc/03/55/69/171035569.db2.gz CUHSGQKHMLYTFS-VXGBXAGGSA-N 0 3 261.315 4.377 10 0 CIAEHN CCc1ccc([C@H](N)Cc2c(F)cccc2Cl)s1 ZINC000020425982 171191820 /nfs/dbraw/zinc/19/18/20/171191820.db2.gz YGLXFRBVGBHIBO-CYBMUJFWSA-N 0 3 283.799 4.346 10 0 CIAEHN Cc1ccc(Oc2ccccc2CN)c(Br)c1 ZINC000020470373 171212402 /nfs/dbraw/zinc/21/24/02/171212402.db2.gz JSDPSTPOWIOKGO-UHFFFAOYSA-N 0 3 292.176 4.009 10 0 CIAEHN COc1ccc([C@@H](N)c2ccccc2Cl)cc1Cl ZINC000020521908 171235743 /nfs/dbraw/zinc/23/57/43/171235743.db2.gz VADNVISMIDRXPQ-CQSZACIVSA-N 0 3 282.170 4.050 10 0 CIAEHN Cc1ccc([C@@H](N)COc2ccc(C(C)C)cc2)cc1 ZINC000020546699 171244559 /nfs/dbraw/zinc/24/45/59/171244559.db2.gz UTEJBQPVSGZYGA-SFHVURJKSA-N 0 3 269.388 4.197 10 0 CIAEHN CC(C)c1ccc([C@H](N)COc2ccccc2F)cc1 ZINC000020549795 171246791 /nfs/dbraw/zinc/24/67/91/171246791.db2.gz VXHRYXMYXNGXDI-MRXNPFEDSA-N 0 3 273.351 4.028 10 0 CIAEHN CCc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1 ZINC000020556918 171250322 /nfs/dbraw/zinc/25/03/22/171250322.db2.gz QBRNUFFSSMUPRH-LLVKDONJSA-N 0 3 259.324 4.200 10 0 CIAEHN Cc1cc(C)cc(O[C@@H](C(C)C)[C@H](N)c2ccccc2)c1 ZINC000020560354 171251471 /nfs/dbraw/zinc/25/14/71/171251471.db2.gz MKRLZPBKECPECY-MOPGFXCFSA-N 0 3 283.415 4.407 10 0 CIAEHN CCCCc1ccc([C@H](N)c2ccccc2F)cc1 ZINC000021023212 171290673 /nfs/dbraw/zinc/29/06/73/171290673.db2.gz BVAASJDIJSZGEE-KRWDZBQOSA-N 0 3 257.352 4.216 10 0 CIAEHN CCCCc1ccc([C@@H](N)c2ccc(F)cc2)cc1 ZINC000021022236 171290875 /nfs/dbraw/zinc/29/08/75/171290875.db2.gz ZCWGINLWPQRHGV-QGZVFWFLSA-N 0 3 257.352 4.216 10 0 CIAEHN Cc1cc(C)cc(Oc2cccc(F)c2[C@H](C)N)c1 ZINC000021043181 171293655 /nfs/dbraw/zinc/29/36/55/171293655.db2.gz FACWJDAUYLYIBK-LBPRGKRZSA-N 0 3 259.324 4.255 10 0 CIAEHN Cc1ccc(O[C@@H](C(C)C)[C@@H](N)c2ccccc2)cc1C ZINC000021052761 171295058 /nfs/dbraw/zinc/29/50/58/171295058.db2.gz RVCJOEDMWZKTOD-OALUTQOASA-N 0 3 283.415 4.407 10 0 CIAEHN C[C@H](Oc1ccc2ccccc2c1)[C@H](N)c1ccccc1 ZINC000021057649 171296063 /nfs/dbraw/zinc/29/60/63/171296063.db2.gz XWFQDVCDKWKYPE-LIRRHRJNSA-N 0 3 277.367 4.307 10 0 CIAEHN CCc1ccc(OC[C@@H](N)c2c(C)cc(C)cc2C)cc1 ZINC000021506735 171308282 /nfs/dbraw/zinc/30/82/82/171308282.db2.gz WKQGIXLTHWAACO-GOSISDBHSA-N 0 3 283.415 4.253 10 0 CIAEHN CC(C)Cc1ccc([C@H](N)CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021508330 171308919 /nfs/dbraw/zinc/30/89/19/171308919.db2.gz CIIVXAUIRCHOMY-IPELMVKDSA-N 0 3 289.463 4.480 10 0 CIAEHN CC(C)c1ccc([C@@H](N)COc2ccc(F)cc2)cc1 ZINC000021517007 171313159 /nfs/dbraw/zinc/31/31/59/171313159.db2.gz QLNYRMLKQSDKLM-KRWDZBQOSA-N 0 3 273.351 4.028 10 0 CIAEHN Cc1ccc([C@@H](N)COc2ccc3ccccc3c2)cc1 ZINC000021518178 171314669 /nfs/dbraw/zinc/31/46/69/171314669.db2.gz MXZJSMNVCMKZTF-IBGZPJMESA-N 0 3 277.367 4.227 10 0 CIAEHN CCCc1ccc([C@@H](N)c2ccc(C)c(F)c2)cc1 ZINC000021520155 171315432 /nfs/dbraw/zinc/31/54/32/171315432.db2.gz VNQCBJJDRWHWST-QGZVFWFLSA-N 0 3 257.352 4.135 10 0 CIAEHN Cc1cc(C)cc(O[C@@H]2CCCc3ccccc3[C@H]2N)c1 ZINC000021520234 171315544 /nfs/dbraw/zinc/31/55/44/171315544.db2.gz NTGMXQSCBQDMHO-RTBURBONSA-N 0 3 281.399 4.087 10 0 CIAEHN Cc1ccccc1[C@H](N)COc1ccccc1C(C)C ZINC000021789969 171323579 /nfs/dbraw/zinc/32/35/79/171323579.db2.gz ZSKCKUZZOKXHQX-QGZVFWFLSA-N 0 3 269.388 4.197 10 0 CIAEHN Cc1ccccc1[C@@H](N)COc1ccc2ccccc2c1 ZINC000021812338 171329753 /nfs/dbraw/zinc/32/97/53/171329753.db2.gz KHOIWQYQKDJPGF-IBGZPJMESA-N 0 3 277.367 4.227 10 0 CIAEHN N[C@H](CCC1CCCCC1)c1cc(F)ccc1F ZINC000021812724 171330181 /nfs/dbraw/zinc/33/01/81/171330181.db2.gz NDYJRFTWPQLLRZ-OAHLLOKOSA-N 0 3 253.336 4.325 10 0 CIAEHN C[C@@H](CCc1ccccc1)NCc1c(F)cccc1F ZINC000021815861 171331972 /nfs/dbraw/zinc/33/19/72/171331972.db2.gz XMCGEOYTNIGIFR-ZDUSSCGKSA-N 0 3 275.342 4.076 10 0 CIAEHN C[C@@H](Oc1ccccc1C(F)(F)F)[C@@H](N)c1ccccc1 ZINC000022147988 171357150 /nfs/dbraw/zinc/35/71/50/171357150.db2.gz JEUMMMQEKOAZOE-IAQYHMDHSA-N 0 3 295.304 4.173 10 0 CIAEHN CC1CCC(OC[C@H](N)c2cccc3ccccc32)CC1 ZINC000022152235 171359491 /nfs/dbraw/zinc/35/94/91/171359491.db2.gz ZLGFWXCJEYPOLI-KJXMEXGPSA-N 0 3 283.415 4.435 10 0 CIAEHN CC[C@H]1CCCC[C@H]1Oc1ccccc1[C@@H](C)NC ZINC000034842946 171885677 /nfs/dbraw/zinc/88/56/77/171885677.db2.gz HEDCKGXMFLERAJ-IJEWVQPXSA-N 0 3 261.409 4.315 10 0 CIAEHN Cc1cc([C@H](N)c2cc3c(s2)CCCC3)c(C)s1 ZINC000035081719 171966797 /nfs/dbraw/zinc/96/67/97/171966797.db2.gz PNJOMYYIZSCVJF-HNNXBMFYSA-N 0 3 277.458 4.353 10 0 CIAEHN Cc1ccc([C@@H](N)c2csc3ccccc32)s1 ZINC000035381859 172164138 /nfs/dbraw/zinc/16/41/38/172164138.db2.gz LLEDYGLMXVBYQH-AWEZNQCLSA-N 0 3 259.399 4.319 10 0 CIAEHN Cc1ccc([C@H](N)c2csc3ccccc32)s1 ZINC000035381857 172164544 /nfs/dbraw/zinc/16/45/44/172164544.db2.gz LLEDYGLMXVBYQH-CQSZACIVSA-N 0 3 259.399 4.319 10 0 CIAEHN CCCCCCNC1=NC[C@H](c2ccccc2)S1 ZINC000035431665 172199838 /nfs/dbraw/zinc/19/98/38/172199838.db2.gz OGTYJBOZZZUQRD-CQSZACIVSA-N 0 3 262.422 4.000 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccc(Br)cc1 ZINC000035459279 172208225 /nfs/dbraw/zinc/20/82/25/172208225.db2.gz ZTEIKMVAHLXALA-ZDUSSCGKSA-N 0 3 296.233 4.128 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035458974 172208593 /nfs/dbraw/zinc/20/85/93/172208593.db2.gz ISHPPLIOQHHQGH-CYBMUJFWSA-N 0 3 269.772 4.158 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccc2c(c1)CCCC2 ZINC000035459978 172209179 /nfs/dbraw/zinc/20/91/79/172209179.db2.gz TUEJVTWHMMZXHQ-KRWDZBQOSA-N 0 3 271.429 4.244 10 0 CIAEHN CCc1ccc([C@@H](NC)c2cccc(Cl)c2)s1 ZINC000035461086 172209767 /nfs/dbraw/zinc/20/97/67/172209767.db2.gz HWDWPNROGTVJAJ-AWEZNQCLSA-N 0 3 265.809 4.273 10 0 CIAEHN CCc1ccc([C@@H](NC)c2cc(C)cc(C)c2)s1 ZINC000035460959 172209893 /nfs/dbraw/zinc/20/98/93/172209893.db2.gz YIUHQEAEQOZLKQ-INIZCTEOSA-N 0 3 259.418 4.236 10 0 CIAEHN CN[C@H](c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035463918 172211422 /nfs/dbraw/zinc/21/14/22/172211422.db2.gz DDAJNQVQLXNRIF-CQSZACIVSA-N 0 3 284.161 4.441 10 0 CIAEHN CN[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000035465372 172212816 /nfs/dbraw/zinc/21/28/16/172212816.db2.gz MHUIEMUBSDVGJN-AWEZNQCLSA-N 0 3 266.171 4.302 10 0 CIAEHN CN[C@H](c1ccc(C)cc1C)c1ccccc1Cl ZINC000035468075 172216457 /nfs/dbraw/zinc/21/64/57/172216457.db2.gz JNWPRWQRGXLRGJ-MRXNPFEDSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](Cc1ccccc1Cl)c1cc(F)ccc1F ZINC000035468694 172218564 /nfs/dbraw/zinc/21/85/64/172218564.db2.gz WNHHEBPZDYVBLF-HNNXBMFYSA-N 0 3 281.733 4.121 10 0 CIAEHN CN[C@H](c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000035487977 172222709 /nfs/dbraw/zinc/22/27/09/172222709.db2.gz RCYNRJZCGGEVMA-LBPRGKRZSA-N 0 3 271.307 4.076 10 0 CIAEHN CN[C@@H](c1cccc(Cl)c1)c1cc(C)ccc1C ZINC000035489994 172224487 /nfs/dbraw/zinc/22/44/87/172224487.db2.gz NUGUNYUVBMSFSC-INIZCTEOSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@H](c1occc1C)c1c(C)c(C)cc(C)c1C ZINC000035490906 172225286 /nfs/dbraw/zinc/22/52/86/172225286.db2.gz SHAFEPKISQFZTC-INIZCTEOSA-N 0 3 257.377 4.131 10 0 CIAEHN CN[C@H](c1ccsc1)c1c(C)c(C)cc(C)c1C ZINC000035490857 172225754 /nfs/dbraw/zinc/22/57/54/172225754.db2.gz NFCJUBUKYBHWHI-MRXNPFEDSA-N 0 3 259.418 4.291 10 0 CIAEHN CCCC[C@H](CC)[C@H](NC)c1ccc(F)cc1F ZINC000035491672 172225819 /nfs/dbraw/zinc/22/58/19/172225819.db2.gz RKLNFZRZHUBXLV-NHYWBVRUSA-N 0 3 255.352 4.442 10 0 CIAEHN CN[C@@H](c1cc(C)sc1C)c1ccc(C)c(F)c1 ZINC000035497729 172231018 /nfs/dbraw/zinc/23/10/18/172231018.db2.gz LQBPKIDNUQDPKD-OAHLLOKOSA-N 0 3 263.381 4.121 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035498353 172231967 /nfs/dbraw/zinc/23/19/67/172231967.db2.gz BGKIFMHXQFMPSM-CYBMUJFWSA-N 0 3 269.772 4.158 10 0 CIAEHN CN[C@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035498386 172232191 /nfs/dbraw/zinc/23/21/91/172232191.db2.gz VAFSDLKROMLCSL-ZDUSSCGKSA-N 0 3 251.782 4.019 10 0 CIAEHN CN[C@@H](c1ccoc1C)c1csc2ccccc12 ZINC000035499472 172232965 /nfs/dbraw/zinc/23/29/65/172232965.db2.gz VYNVVYZTHVNHNV-HNNXBMFYSA-N 0 3 257.358 4.112 10 0 CIAEHN CN[C@H](Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035502028 172236614 /nfs/dbraw/zinc/23/66/14/172236614.db2.gz FTKSIEMSPYLVMV-OAHLLOKOSA-N 0 3 280.198 4.497 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1ccccc1OC ZINC000035537795 172244099 /nfs/dbraw/zinc/24/40/99/172244099.db2.gz JWMYWQCFTPJDAE-INIZCTEOSA-N 0 3 275.417 4.018 10 0 CIAEHN CCN[C@@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035537823 172244337 /nfs/dbraw/zinc/24/43/37/172244337.db2.gz VQIWPARCGRULKZ-MRXNPFEDSA-N 0 3 259.418 4.318 10 0 CIAEHN CCN[C@@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035538246 172244832 /nfs/dbraw/zinc/24/48/32/172244832.db2.gz QLAQOARYLVFFTE-CQSZACIVSA-N 0 3 281.808 4.109 10 0 CIAEHN CCN[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035540072 172246500 /nfs/dbraw/zinc/24/65/00/172246500.db2.gz JBAFJXHYULEXEK-HNNXBMFYSA-N 0 3 263.743 4.178 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000035540340 172246650 /nfs/dbraw/zinc/24/66/50/172246650.db2.gz DXVDHDQRGOHHOE-HNNXBMFYSA-N 0 3 263.743 4.178 10 0 CIAEHN CCN[C@H](c1ccc(Cl)cc1)c1ccccc1C ZINC000035540382 172246865 /nfs/dbraw/zinc/24/68/65/172246865.db2.gz SIYZJHMEWXAVLA-MRXNPFEDSA-N 0 3 259.780 4.347 10 0 CIAEHN CCN[C@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035541127 172247820 /nfs/dbraw/zinc/24/78/20/172247820.db2.gz NORZPQQMODGCGB-MRXNPFEDSA-N 0 3 259.780 4.347 10 0 CIAEHN CCN[C@@H](c1sccc1C)c1ccc(F)cc1F ZINC000035547253 172255027 /nfs/dbraw/zinc/25/50/27/172255027.db2.gz ABYVPBXEXKGZBQ-CYBMUJFWSA-N 0 3 267.344 4.034 10 0 CIAEHN CCN[C@@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035548597 172257049 /nfs/dbraw/zinc/25/70/49/172257049.db2.gz TVTJLFLEZGZDMM-CYBMUJFWSA-N 0 3 267.344 4.034 10 0 CIAEHN CCN[C@@H](c1ccsc1)c1cc(C)sc1C ZINC000035551949 172258941 /nfs/dbraw/zinc/25/89/41/172258941.db2.gz YTNRJSAWNKOROZ-ZDUSSCGKSA-N 0 3 251.420 4.125 10 0 CIAEHN CCCN[C@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035572730 172268791 /nfs/dbraw/zinc/26/87/91/172268791.db2.gz YDJAZZQMHAKCAJ-INIZCTEOSA-N 0 3 259.418 4.454 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1ccc(C)s1 ZINC000035573256 172269751 /nfs/dbraw/zinc/26/97/51/172269751.db2.gz KXTAWNYVMPZPDY-SECBINFHSA-N 0 3 251.317 4.050 10 0 CIAEHN CCCN[C@@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035577250 172273572 /nfs/dbraw/zinc/27/35/72/172273572.db2.gz GHLKNNNGIAZSQC-KRWDZBQOSA-N 0 3 257.352 4.223 10 0 CIAEHN CCCN[C@H](c1ccc(C)o1)c1ccc(C)cc1C ZINC000035579397 172275235 /nfs/dbraw/zinc/27/52/35/172275235.db2.gz JANATEXMYIPAOH-KRWDZBQOSA-N 0 3 257.377 4.294 10 0 CIAEHN CCCN[C@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035580248 172275856 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/nfs/dbraw/zinc/22/35/69/262223569.db2.gz NOQNWNBAKWOHSJ-GJZGRUSLSA-N 0 3 287.378 4.082 10 0 CIAEHN C[C@@H](COCc1ccccc1)NCc1cc(Cl)cs1 ZINC000390594642 262224741 /nfs/dbraw/zinc/22/47/41/262224741.db2.gz RYAZMGFFRNHOPX-LBPRGKRZSA-N 0 3 295.835 4.096 10 0 CIAEHN Cc1cc([C@@H](C)N[C@@H](C)COCc2ccccc2)c(C)o1 ZINC000390595960 262224884 /nfs/dbraw/zinc/22/48/84/262224884.db2.gz VSMGZOFSKKKPTI-DZGCQCFKSA-N 0 3 287.403 4.152 10 0 CIAEHN CCOc1ccc(CN[C@@H](C)c2cccs2)cc1OC ZINC000020148590 262232574 /nfs/dbraw/zinc/23/25/74/262232574.db2.gz IMZRDTAFMHZUSE-LBPRGKRZSA-N 0 3 291.416 4.006 10 0 CIAEHN CCC[C@@H]1C[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000222164946 262327713 /nfs/dbraw/zinc/32/77/13/262327713.db2.gz YSAKWAOZIBMWFT-XKAARJIMSA-N 0 3 267.463 4.452 10 0 CIAEHN CC(C)C[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000040773921 328018117 /nfs/dbraw/zinc/01/81/17/328018117.db2.gz ZDIHKNSCKAZFOG-CMPLNLGQSA-N 0 3 290.234 4.051 10 0 CIAEHN CCc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)s1 ZINC000041204348 328030293 /nfs/dbraw/zinc/03/02/93/328030293.db2.gz ADDPEBPEAHLAHN-WFASDCNBSA-N 0 3 287.428 4.485 10 0 CIAEHN Cc1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000110058612 328031710 /nfs/dbraw/zinc/03/17/10/328031710.db2.gz XTVKIHTZKUIADI-QGZVFWFLSA-N 0 3 271.791 4.426 10 0 CIAEHN CCC1CCC(N[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000049117234 328339811 /nfs/dbraw/zinc/33/98/11/328339811.db2.gz WJJNYLFKZFMJGW-NFOMZHRRSA-N 0 3 285.435 4.193 10 0 CIAEHN Cc1ccc([C@@H](C)NCc2ccnc3ccccc23)cc1 ZINC000111763527 328377221 /nfs/dbraw/zinc/37/72/21/328377221.db2.gz LGHFFICVHLPANH-OAHLLOKOSA-N 0 3 276.383 4.394 10 0 CIAEHN Cc1ccccc1[C@H](C)NC/C=C/c1ccccc1 ZINC000051099935 328455329 /nfs/dbraw/zinc/45/53/29/328455329.db2.gz AUNDMVYDZDCGKO-RCLKMUNOSA-N 0 3 251.373 4.359 10 0 CIAEHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccs1)CC2 ZINC000092835587 327104003 /nfs/dbraw/zinc/10/40/03/327104003.db2.gz ZOIXMCHDNIWFBQ-IAQYHMDHSA-N 0 3 273.401 4.095 10 0 CIAEHN CCCn1ccc(CN[C@H](C)c2ccc(C)cc2C)c1 ZINC000091012348 327165376 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ZINC000090964019 330397398 /nfs/dbraw/zinc/39/73/98/330397398.db2.gz NCKUPDLDURRULL-MSOLQXFVSA-N 0 3 297.373 4.317 10 0 CIAEHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000165254683 331305988 /nfs/dbraw/zinc/30/59/88/331305988.db2.gz RDZHLISJIVVBRM-SFGNSQDASA-N 0 3 294.247 4.009 10 0 CIAEHN CCc1ccc([C@H](C)NCc2csc(C)c2)cc1 ZINC000310659100 333060582 /nfs/dbraw/zinc/06/05/82/333060582.db2.gz FJWQFKNGTNPEGD-ZDUSSCGKSA-N 0 3 259.418 4.470 10 0 CIAEHN C[C@@H](COCc1ccccc1)N[C@@H](C)c1ccsc1 ZINC000178066132 333067484 /nfs/dbraw/zinc/06/74/84/333067484.db2.gz ILNOTWBSHNOOIK-KBPBESRZSA-N 0 3 275.417 4.004 10 0 CIAEHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000184386412 333128123 /nfs/dbraw/zinc/12/81/23/333128123.db2.gz YZOCZLVNEMHHBT-UONOGXRCSA-N 0 3 272.367 4.249 10 0 CIAEHN Cc1cncc([C@H](C)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000184426417 333128517 /nfs/dbraw/zinc/12/85/17/333128517.db2.gz LTGPTAZFKRBHQD-SCLBCKFNSA-N 0 3 284.378 4.257 10 0 CIAEHN Cc1cnc([C@@H](C)Nc2cc(C)nc3ccccc32)o1 ZINC000235287537 333367285 /nfs/dbraw/zinc/36/72/85/333367285.db2.gz KREJSPMLHUZOOU-GFCCVEGCSA-N 0 3 267.332 4.013 10 0 CIAEHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(O)c2)c(C)c1 ZINC000037151481 333501891 /nfs/dbraw/zinc/50/18/91/333501891.db2.gz HANPVVCDCCPLOG-HUUCEWRRSA-N 0 3 269.388 4.421 10 0 CIAEHN CC[C@H](N[C@@H]1C[C@H](C)CC(C)(C)C1)c1nccs1 ZINC000080264385 334169013 /nfs/dbraw/zinc/16/90/13/334169013.db2.gz FSGSIUDYWJVGBV-XQQFMLRXSA-N 0 3 266.454 4.399 10 0 CIAEHN CC(C)[C@H](C)CN[C@@H](c1ccco1)c1ccccc1 ZINC000081047330 334177485 /nfs/dbraw/zinc/17/74/85/334177485.db2.gz BEIXGILDTOLJQZ-RHSMWYFYSA-N 0 3 257.377 4.251 10 0 CIAEHN CCOc1ccccc1[C@H](C)N[C@H]1C[C@H]1c1ccccc1 ZINC000250510771 334345537 /nfs/dbraw/zinc/34/55/37/334345537.db2.gz JDSMEGGBSBZMPN-WBAXXEDZSA-N 0 3 281.399 4.292 10 0 CIAEHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(C)c1)CC2 ZINC000157222059 334764028 /nfs/dbraw/zinc/76/40/28/334764028.db2.gz NHHILKCXDNUXJC-AUUYWEPGSA-N 0 3 281.399 4.342 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccc(F)c(Cl)c1 ZINC000062792616 520114436 /nfs/dbraw/zinc/11/44/36/520114436.db2.gz GZDXYNFXNLUENT-CYBMUJFWSA-N 0 3 269.772 4.240 10 0 CIAEHN CN[C@H](C)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924078 522446128 /nfs/dbraw/zinc/44/61/28/522446128.db2.gz XHYBTUDGINFVTR-SECBINFHSA-N 0 3 269.266 4.246 10 0 CIAEHN CC(C)c1cccc(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)c1 ZINC000236792244 519842142 /nfs/dbraw/zinc/84/21/42/519842142.db2.gz UELCLXKQVPNCDW-KBXCAEBGSA-N 0 3 296.414 4.085 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1cc(C)ccc1F ZINC000055225691 520067845 /nfs/dbraw/zinc/06/78/45/520067845.db2.gz IQOSBYYMKHWIEE-GFCCVEGCSA-N 0 3 263.278 4.127 10 0 CIAEHN CCN[C@@H](C)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000052924391 520074938 /nfs/dbraw/zinc/07/49/38/520074938.db2.gz LNVODBDJBUVYAQ-VIFPVBQESA-N 0 3 267.731 4.410 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCO1 ZINC000050962247 520109247 /nfs/dbraw/zinc/10/92/47/520109247.db2.gz VEHMWSBQAPTWRZ-KGLIPLIRSA-N 0 3 288.218 4.213 10 0 CIAEHN CCN[C@H](c1ccco1)[C@@H]1CCCc2ccccc21 ZINC000054668884 520211249 /nfs/dbraw/zinc/21/12/49/520211249.db2.gz XSWDJECZTILEOD-WBVHZDCISA-N 0 3 255.361 4.050 10 0 CIAEHN CCCOc1ccc([C@@H](NCC)c2ccsc2)cc1 ZINC000055263728 520417288 /nfs/dbraw/zinc/41/72/88/520417288.db2.gz BLHSIOHBLZEITN-MRXNPFEDSA-N 0 3 275.417 4.236 10 0 CIAEHN CC[C@@H](C)Oc1ccc(Cl)cc1CNC(C)(C)C ZINC000062730776 522262831 /nfs/dbraw/zinc/26/28/31/522262831.db2.gz CQQGSXRSIBFIMI-LLVKDONJSA-N 0 3 269.816 4.405 10 0 CIAEHN CN[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000054456023 522360283 /nfs/dbraw/zinc/36/02/83/522360283.db2.gz VMKYNGSUNDYBFE-LBPRGKRZSA-N 0 3 270.159 4.090 10 0 CIAEHN CN[C@@H](c1cc(C)ccc1C)c1cc(C)ccc1F ZINC000052982103 522365474 /nfs/dbraw/zinc/36/54/74/522365474.db2.gz QEZTUSGFEOBFIP-KRWDZBQOSA-N 0 3 257.352 4.060 10 0 CIAEHN CN[C@H](c1cc(F)ccc1F)[C@H]1CCC[C@H](C)C1 ZINC000055243392 522477277 /nfs/dbraw/zinc/47/72/77/522477277.db2.gz NXSAGRKXYXIXHJ-PGUXBMHVSA-N 0 3 253.336 4.052 10 0 CIAEHN CC[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000149428039 522721625 /nfs/dbraw/zinc/72/16/25/522721625.db2.gz VSSSUMBKNBTSDN-BIGNPOOSSA-N 0 3 288.218 4.212 10 0 CIAEHN CC[C@@H](NCc1ccc(F)cc1C)c1cccs1 ZINC000050577576 522873617 /nfs/dbraw/zinc/87/36/17/522873617.db2.gz VPHWYZXIGSCBAL-CQSZACIVSA-N 0 3 263.381 4.437 10 0 CIAEHN Cc1cc(CN[C@@H](C)c2cccc(Cl)c2)c(C)n1C ZINC000052789681 524765201 /nfs/dbraw/zinc/76/52/01/524765201.db2.gz YIOVZHFLLUGMCM-LBPRGKRZSA-N 0 3 276.811 4.146 10 0 CIAEHN Cc1ccc(F)cc1[C@@](C)(N)c1ccc(Cl)cc1 ZINC000055195611 524874948 /nfs/dbraw/zinc/87/49/48/524874948.db2.gz QMRAJAHDJIHPAN-HNNXBMFYSA-N 0 3 263.743 4.010 10 0 CIAEHN C[C@@H](NC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000051099932 525392132 /nfs/dbraw/zinc/39/21/32/525392132.db2.gz SXIDCBUXLJBCJM-LHRNQBEKSA-N 0 3 255.336 4.190 10 0 CIAEHN C[C@@](N)(c1ccccc1F)c1cccc(Cl)c1Cl ZINC000055195425 525750859 /nfs/dbraw/zinc/75/08/59/525750859.db2.gz BLISRVQSMNDRST-CQSZACIVSA-N 0 3 284.161 4.355 10 0 CIAEHN Cc1ccsc1[C@H](C)N[C@H]1CCOc2ccccc21 ZINC000070091065 525888561 /nfs/dbraw/zinc/88/85/61/525888561.db2.gz FORQNFBQBHJFNE-JSGCOSHPSA-N 0 3 273.401 4.231 10 0 CIAEHN Cc1ccsc1[C@H](C)N[C@@H]1CCOc2ccccc21 ZINC000070091063 525888824 /nfs/dbraw/zinc/88/88/24/525888824.db2.gz FORQNFBQBHJFNE-GXTWGEPZSA-N 0 3 273.401 4.231 10 0 CIAEHN Cc1ccsc1[C@H](C)N[C@H](CN(C)C)c1ccccc1 ZINC000070089960 525889607 /nfs/dbraw/zinc/88/96/07/525889607.db2.gz CRODWEBFCWGDLQ-GOEBONIOSA-N 0 3 288.460 4.010 10 0 CIAEHN Cc1csc(C[C@H](N)c2cc(Cl)ccc2Cl)n1 ZINC000055267655 526367045 /nfs/dbraw/zinc/36/70/45/526367045.db2.gz UUHZLDVWYMFYOU-NSHDSACASA-N 0 3 287.215 4.001 10 0 CIAEHN N=C(N)c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000062714932 526818915 /nfs/dbraw/zinc/81/89/15/526818915.db2.gz MVPXFSGTGBVYFV-UHFFFAOYSA-N 0 3 299.132 4.209 10 0 CIAEHN CCCO[C@@H]1CCCN(c2ccnc3c(C)cccc23)CC1 ZINC000301676008 528606714 /nfs/dbraw/zinc/60/67/14/528606714.db2.gz PWNPUXMJFVYOCZ-MRXNPFEDSA-N 0 3 298.430 4.329 10 0 CIAEHN CC(C)C[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000675081089 567027592 /nfs/dbraw/zinc/02/75/92/567027592.db2.gz GGORELNGHUCMJB-NSHDSACASA-N 0 3 282.181 4.241 10 0 CIAEHN CN1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250043 567039047 /nfs/dbraw/zinc/03/90/47/567039047.db2.gz CQSIPIDCZYCXNL-UHFFFAOYSA-N 0 3 290.366 4.214 10 0 CIAEHN CCN(CC)Cc1cncc(-c2ccc(F)c(C)c2)c1 ZINC000037554021 567067320 /nfs/dbraw/zinc/06/73/20/567067320.db2.gz SQBJAULXQACINC-UHFFFAOYSA-N 0 3 272.367 4.038 10 0 CIAEHN Cc1cccc(CN2CCC(C)(C)CC2)c1Br ZINC000725262785 567923027 /nfs/dbraw/zinc/92/30/27/567923027.db2.gz PEQKBFVIUGGSHQ-UHFFFAOYSA-N 0 3 296.252 4.380 10 0 CIAEHN Cc1cccc(CN2CCCC[C@H]2C)c1Br ZINC000685946589 570405390 /nfs/dbraw/zinc/40/53/90/570405390.db2.gz TYTXFNPCRXZJNU-GFCCVEGCSA-N 0 3 282.225 4.132 10 0 CIAEHN CCCNCc1sc(CSCCC)nc1C(C)C ZINC000082430217 178008157 /nfs/dbraw/zinc/00/81/57/178008157.db2.gz SCLBEYNVQOUJFV-UHFFFAOYSA-N 0 3 286.510 4.409 10 0 CIAEHN CC(C)c1nc(CSc2ccccc2)sc1CN ZINC000082430127 178008269 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259.315 4.413 10 0 CIAEHN CN[C@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000035469451 172219589 /nfs/dbraw/zinc/21/95/89/172219589.db2.gz LDTZPPBVXBJRBY-CQSZACIVSA-N 0 3 271.326 4.335 10 0 CIAEHN CN[C@@H](c1cccs1)c1ccc2ccccc2c1 ZINC000035488274 172223134 /nfs/dbraw/zinc/22/31/34/172223134.db2.gz LVSDEDGQMJYKTH-MRXNPFEDSA-N 0 3 253.370 4.210 10 0 CIAEHN CN[C@H](c1cccs1)c1ccc2ccccc2c1 ZINC000035488273 172223184 /nfs/dbraw/zinc/22/31/84/172223184.db2.gz LVSDEDGQMJYKTH-INIZCTEOSA-N 0 3 253.370 4.210 10 0 CIAEHN CCCC[C@@H](CC)[C@@H](NC)c1ccc(F)cc1F ZINC000035491674 172225551 /nfs/dbraw/zinc/22/55/51/172225551.db2.gz RKLNFZRZHUBXLV-IAQYHMDHSA-N 0 3 255.352 4.442 10 0 CIAEHN CCCc1ccc([C@@H](NC)c2cccc(C)c2)cc1 ZINC000035496301 172229664 /nfs/dbraw/zinc/22/96/64/172229664.db2.gz XCDPSRPUCJIVAB-GOSISDBHSA-N 0 3 253.389 4.256 10 0 CIAEHN CCCc1ccc([C@@H](NC)c2ccc(F)cc2)cc1 ZINC000035496318 172229787 /nfs/dbraw/zinc/22/97/87/172229787.db2.gz MYTYBCJYHGAMMR-QGZVFWFLSA-N 0 3 257.352 4.087 10 0 CIAEHN CN[C@@H](c1cc2c(s1)CCC2)c1cc(C)sc1C ZINC000035497410 172230761 /nfs/dbraw/zinc/23/07/61/172230761.db2.gz STWWYVCUTNQJOB-OAHLLOKOSA-N 0 3 277.458 4.224 10 0 CIAEHN CN[C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCC2 ZINC000035498144 172231433 /nfs/dbraw/zinc/23/14/33/172231433.db2.gz GDRWSODVGMXOOO-HNNXBMFYSA-N 0 3 277.820 4.199 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035498495 172231956 /nfs/dbraw/zinc/23/19/56/172231956.db2.gz RFTHPNKAMKWANF-CYBMUJFWSA-N 0 3 251.782 4.019 10 0 CIAEHN CN[C@@H](c1sccc1C)c1ccc(OC(C)C)cc1 ZINC000035498572 172232294 /nfs/dbraw/zinc/23/22/94/172232294.db2.gz IFFPQZWUMMXJMS-OAHLLOKOSA-N 0 3 275.417 4.153 10 0 CIAEHN CN[C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000035501636 172236809 /nfs/dbraw/zinc/23/68/09/172236809.db2.gz VZIWNXZNJMUDDD-SECBINFHSA-N 0 3 272.097 4.206 10 0 CIAEHN CCN[C@@H](c1ccc(C)s1)c1ccccc1OCC ZINC000035510330 172241620 /nfs/dbraw/zinc/24/16/20/172241620.db2.gz GVBLMJXLNNKZEY-MRXNPFEDSA-N 0 3 275.417 4.154 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccccc1Cl 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Cc1ccc(C)c(O[C@H](CN)c2cccc(Cl)c2)c1 ZINC000019671276 170835910 /nfs/dbraw/zinc/83/59/10/170835910.db2.gz CRTWHTAHRQBVPX-MRXNPFEDSA-N 0 3 275.779 4.036 10 0 CIAEHN CCc1ccc([C@@H](N)c2ccc(Cl)cc2F)cc1 ZINC000019968611 170950908 /nfs/dbraw/zinc/95/09/08/170950908.db2.gz XXBGVEQJAZBPNY-OAHLLOKOSA-N 0 3 263.743 4.090 10 0 CIAEHN CC[C@H](c1ccccc1)[C@H](N)c1cc(F)ccc1F ZINC000019969381 170952156 /nfs/dbraw/zinc/95/21/56/170952156.db2.gz PHWHFFQEHNMWBX-CJNGLKHVSA-N 0 3 261.315 4.158 10 0 CIAEHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccncc2)cc1C ZINC000020121774 171001533 /nfs/dbraw/zinc/00/15/33/171001533.db2.gz CXSKQDHIKIGKEA-JKSUJKDBSA-N 0 3 268.404 4.419 10 0 CIAEHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(O)cc1 ZINC000020126158 171009678 /nfs/dbraw/zinc/00/96/78/171009678.db2.gz MPMLRRCOBGAVJJ-ZIAGYGMSSA-N 0 3 255.361 4.112 10 0 CIAEHN CCOc1ccc(CN[C@@H](C)c2ccccc2C)cc1 ZINC000020126100 171009924 /nfs/dbraw/zinc/00/99/24/171009924.db2.gz VCNFYARVQZAFGD-HNNXBMFYSA-N 0 3 269.388 4.245 10 0 CIAEHN Cc1ccccc1[C@H](C)N[C@H]1CCc2ccccc21 ZINC000020129872 171018827 /nfs/dbraw/zinc/01/88/27/171018827.db2.gz TTWVJJOREOLLNK-KSSFIOAISA-N 0 3 251.373 4.333 10 0 CIAEHN c1ccc2c(c1)CCC[C@H]2N[C@H]1CCOc2ccccc21 ZINC000020133765 171022142 /nfs/dbraw/zinc/02/21/42/171022142.db2.gz BMQWBJOWTKCPHM-MSOLQXFVSA-N 0 3 279.383 4.177 10 0 CIAEHN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccc(F)c1 ZINC000020148002 171034980 /nfs/dbraw/zinc/03/49/80/171034980.db2.gz CUHSGQKHMLYTFS-TXEJJXNPSA-N 0 3 261.315 4.377 10 0 CIAEHN CC[C@H](N[C@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147913 171035017 /nfs/dbraw/zinc/03/50/17/171035017.db2.gz BQMVTWUETJVEQE-PXAZEXFGSA-N 0 3 273.351 4.333 10 0 CIAEHN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1cccs1 ZINC000020148413 171036121 /nfs/dbraw/zinc/03/61/21/171036121.db2.gz USKUMTASZIWRKQ-VHSXEESVSA-N 0 3 267.344 4.438 10 0 CIAEHN CC[C@@H](N[C@H](C)c1cccs1)c1ccc(O)cc1 ZINC000020148338 171036175 /nfs/dbraw/zinc/03/61/75/171036175.db2.gz PQUNZTRWJMQCFK-BXUZGUMPSA-N 0 3 261.390 4.256 10 0 CIAEHN C[C@@H](NCc1cc2ccccc2o1)c1cccs1 ZINC000020148572 171036627 /nfs/dbraw/zinc/03/66/27/171036627.db2.gz DWOHMMHYZHIINS-LLVKDONJSA-N 0 3 257.358 4.345 10 0 CIAEHN Cc1ccc(-c2nc(-c3ccccc3)c(CN)s2)cc1 ZINC000020184378 171047339 /nfs/dbraw/zinc/04/73/39/171047339.db2.gz DTXOPLVBWDGZSU-UHFFFAOYSA-N 0 3 280.396 4.244 10 0 CIAEHN C[C@H](N)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020267862 171124322 /nfs/dbraw/zinc/12/43/22/171124322.db2.gz WNDDVHHZTUJSKJ-ZETCQYMHSA-N 0 3 256.132 4.273 10 0 CIAEHN Cc1cc(CN[C@H](C)c2ccccc2C)cc(C)c1O ZINC000020305484 171141524 /nfs/dbraw/zinc/14/15/24/171141524.db2.gz WICCFPYKLAIISZ-OAHLLOKOSA-N 0 3 269.388 4.168 10 0 CIAEHN CCCOc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1 ZINC000020473942 171217995 /nfs/dbraw/zinc/21/79/95/171217995.db2.gz XYYGGWIKDGHJHN-GFCCVEGCSA-N 0 3 289.350 4.427 10 0 CIAEHN COc1ccc([C@H](N)c2ccccc2Cl)cc1Cl ZINC000020521909 171235515 /nfs/dbraw/zinc/23/55/15/171235515.db2.gz VADNVISMIDRXPQ-AWEZNQCLSA-N 0 3 282.170 4.050 10 0 CIAEHN C[C@@H](N)c1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000020553464 171248510 /nfs/dbraw/zinc/24/85/10/171248510.db2.gz DIVKKOJQIUNUGX-LLVKDONJSA-N 0 3 271.335 4.126 10 0 CIAEHN Cc1ccc([C@H](N)COc2ccccc2C(F)(F)F)cc1 ZINC000020566486 171254831 /nfs/dbraw/zinc/25/48/31/171254831.db2.gz WHBZHLUHOZJVOU-CQSZACIVSA-N 0 3 295.304 4.093 10 0 CIAEHN Cc1ccc([C@@H](N)c2ccccc2Br)cc1C ZINC000020587324 171259322 /nfs/dbraw/zinc/25/93/22/171259322.db2.gz RLVJSXRUEUPALR-OAHLLOKOSA-N 0 3 290.204 4.114 10 0 CIAEHN Cc1ccc([C@H](N)c2ccc(F)cc2Cl)cc1C ZINC000020587222 171259601 /nfs/dbraw/zinc/25/96/01/171259601.db2.gz FQZDQESJDSVFNN-HNNXBMFYSA-N 0 3 263.743 4.144 10 0 CIAEHN Cc1c2cc(Br)ccc2oc1[C@@H](N)C(C)C ZINC000020592991 171262445 /nfs/dbraw/zinc/26/24/45/171262445.db2.gz JVTGWNKBZKMVCW-LBPRGKRZSA-N 0 3 282.181 4.160 10 0 CIAEHN Clc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020595847 171264602 /nfs/dbraw/zinc/26/46/02/171264602.db2.gz BYHLWUFMEGUGPZ-QGZVFWFLSA-N 0 3 286.806 4.026 10 0 CIAEHN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](N)c1ccccc1 ZINC000021009169 171285905 /nfs/dbraw/zinc/28/59/05/171285905.db2.gz MSUWFQCGVWDOHI-HPBDAGMYSA-N 0 3 275.436 4.164 10 0 CIAEHN Cc1ccccc1[C@H](N)CO[C@@H]1CCCc2ccccc21 ZINC000021010944 171286767 /nfs/dbraw/zinc/28/67/67/171286767.db2.gz CRMDQICTMLPNGB-RTBURBONSA-N 0 3 281.399 4.089 10 0 CIAEHN Cc1ccccc1[C@H](N)COc1cccc(C(C)C)c1 ZINC000021011867 171287560 /nfs/dbraw/zinc/28/75/60/171287560.db2.gz CRDQDJMEGOMHKT-GOSISDBHSA-N 0 3 269.388 4.197 10 0 CIAEHN CCc1ccc(O[C@@H](C(C)C)[C@H](N)c2ccccc2)cc1 ZINC000021013308 171288662 /nfs/dbraw/zinc/28/86/62/171288662.db2.gz SWNHLTOYLHBUNI-MOPGFXCFSA-N 0 3 283.415 4.352 10 0 CIAEHN CC[C@@H]1CCCC[C@H]1OC[C@@H](N)c1ccc(C)c(C)c1 ZINC000021039880 171293444 /nfs/dbraw/zinc/29/34/44/171293444.db2.gz IAOHLHDIWWVGSK-KBAYOESNSA-N 0 3 275.436 4.289 10 0 CIAEHN Cc1ccc(O[C@@H](C(C)C)[C@H](N)c2ccccc2)cc1C ZINC000021052775 171295185 /nfs/dbraw/zinc/29/51/85/171295185.db2.gz RVCJOEDMWZKTOD-MOPGFXCFSA-N 0 3 283.415 4.407 10 0 CIAEHN Cc1cccc([C@@H](N)c2ccc(CC(C)C)cc2)c1 ZINC000021500856 171305527 /nfs/dbraw/zinc/30/55/27/171305527.db2.gz GQJYESQIGCCRJL-SFHVURJKSA-N 0 3 253.389 4.242 10 0 CIAEHN Cc1ccc([C@H](N)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502738 171306308 /nfs/dbraw/zinc/30/63/08/171306308.db2.gz MXBBOJPTLPGHTR-CRAIPNDOSA-N 0 3 269.388 4.079 10 0 CIAEHN CC(C)(C)c1ccc([C@@H](N)COc2ccc(F)cc2)cc1 ZINC000021502462 171306462 /nfs/dbraw/zinc/30/64/62/171306462.db2.gz WCQZHUYCICRLIS-KRWDZBQOSA-N 0 3 287.378 4.202 10 0 CIAEHN C[C@H](Oc1ccc(C(C)(C)C)cc1)[C@H](N)c1ccccc1 ZINC000021506245 171307893 /nfs/dbraw/zinc/30/78/93/171307893.db2.gz GKMKHYNDSBTXHS-KSSFIOAISA-N 0 3 283.415 4.451 10 0 CIAEHN CC(C)C[C@@H](C)OC[C@H](N)c1ccc2ccccc2c1 ZINC000021506828 171308070 /nfs/dbraw/zinc/30/80/70/171308070.db2.gz QFIIQHSYKAMGBF-KDOFPFPSSA-N 0 3 271.404 4.291 10 0 CIAEHN C[C@@H](CN[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000021506441 171308273 /nfs/dbraw/zinc/30/82/73/171308273.db2.gz QCMZJZVRWUPIBY-STQMWFEESA-N 0 3 275.342 4.419 10 0 CIAEHN CC[C@@H]1CCCC[C@H]1Oc1cccc(F)c1[C@@H](C)N ZINC000021508493 171308704 /nfs/dbraw/zinc/30/87/04/171308704.db2.gz SWUQOWOROQGPQP-YRGRVCCFSA-N 0 3 265.372 4.193 10 0 CIAEHN Cc1ccc(C)c(O[C@@H]2CCCc3ccccc3[C@@H]2N)c1 ZINC000021509792 171309685 /nfs/dbraw/zinc/30/96/85/171309685.db2.gz BFOGFDTWQHUQOZ-MJGOQNOKSA-N 0 3 281.399 4.087 10 0 CIAEHN C[C@H](NC1CCC(C)CC1)c1ccc(F)cc1F ZINC000021517262 171313705 /nfs/dbraw/zinc/31/37/05/171313705.db2.gz YFWNMXVEBMDKIN-AKJDGMEZSA-N 0 3 253.336 4.194 10 0 CIAEHN C[C@@H](NC1CCC(C)CC1)c1ccc(F)cc1F ZINC000021517263 171313715 /nfs/dbraw/zinc/31/37/15/171313715.db2.gz YFWNMXVEBMDKIN-QWKFWESOSA-N 0 3 253.336 4.194 10 0 CIAEHN Cc1ccc([C@@H](N)c2c(C)cc(C)cc2C)c(C)c1 ZINC000021519630 171315345 /nfs/dbraw/zinc/31/53/45/171315345.db2.gz QECRIZXDVUPFDO-GOSISDBHSA-N 0 3 253.389 4.277 10 0 CIAEHN Cc1ccc(O[C@H]2CCCc3ccccc3[C@@H]2N)cc1C ZINC000021798364 171325082 /nfs/dbraw/zinc/32/50/82/171325082.db2.gz QSLTWZPWABMMBV-OALUTQOASA-N 0 3 281.399 4.087 10 0 CIAEHN CCCc1ccc([C@@H](N)c2cc(C)ccc2C)cc1 ZINC000021800564 171325853 /nfs/dbraw/zinc/32/58/53/171325853.db2.gz WFVGHPAYQGGUSN-GOSISDBHSA-N 0 3 253.389 4.304 10 0 CIAEHN Cc1ccc(C)c(O[C@@H](C(C)C)[C@@H](N)c2ccccc2)c1 ZINC000021815736 171331988 /nfs/dbraw/zinc/33/19/88/171331988.db2.gz QKKLSLCGCBKQJV-OALUTQOASA-N 0 3 283.415 4.407 10 0 CIAEHN C[C@H](NCCc1ccc(Cl)cc1Cl)c1ccco1 ZINC000022149895 171357932 /nfs/dbraw/zinc/35/79/32/171357932.db2.gz OIWZGIHPJWQWDD-JTQLQIEISA-N 0 3 284.186 4.480 10 0 CIAEHN Cc1ccc(Oc2cccc(F)c2[C@@H](C)N)cc1C ZINC000022153635 171360712 /nfs/dbraw/zinc/36/07/12/171360712.db2.gz ZSEGUJBQPJGOMB-GFCCVEGCSA-N 0 3 259.324 4.255 10 0 CIAEHN CNCc1c(Cl)cccc1Oc1cc(C)ccc1C ZINC000034664537 171852150 /nfs/dbraw/zinc/85/21/50/171852150.db2.gz MCAGXEKXUKIQDN-UHFFFAOYSA-N 0 3 275.779 4.469 10 0 CIAEHN Cc1cc(C)c(CN[C@H]2CCOc3ccccc32)c(C)c1 ZINC000034992396 171919049 /nfs/dbraw/zinc/91/90/49/171919049.db2.gz ADDFZROMTYRBKF-SFHVURJKSA-N 0 3 281.399 4.225 10 0 CIAEHN CC(C)[C@@H](C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000035154820 172017228 /nfs/dbraw/zinc/01/72/28/172017228.db2.gz DKGFPHVJGWBBNZ-LLVKDONJSA-N 0 3 278.396 4.083 10 0 CIAEHN C[C@H]1CCC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000035162085 172022157 /nfs/dbraw/zinc/02/21/57/172022157.db2.gz IIEUTOQLGPGKSH-SNRMKQJTSA-N 0 3 280.415 4.339 10 0 CIAEHN c1ccc2c(c1)CC[C@H]2NCc1ccc2ncccc2c1 ZINC000035180493 172034400 /nfs/dbraw/zinc/03/44/00/172034400.db2.gz DWQXFGCNSFZIEZ-LJQANCHMSA-N 0 3 274.367 4.012 10 0 CIAEHN Cc1occc1[C@@H](N)c1c(C)c(C)c(C)c(C)c1C ZINC000035380920 172163832 /nfs/dbraw/zinc/16/38/32/172163832.db2.gz CBUIGRYBXJHBQF-QGZVFWFLSA-N 0 3 257.377 4.178 10 0 CIAEHN Cc1ccsc1[C@H](N)c1csc2ccccc21 ZINC000035381853 172164297 /nfs/dbraw/zinc/16/42/97/172164297.db2.gz HDAPTQLHRIGGTK-CYBMUJFWSA-N 0 3 259.399 4.319 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1cccc(Br)c1 ZINC000035458939 172208216 /nfs/dbraw/zinc/20/82/16/172208216.db2.gz UBEYXZTYFJAZJS-ZDUSSCGKSA-N 0 3 296.233 4.128 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccc(Cl)cc1F ZINC000035458988 172208417 /nfs/dbraw/zinc/20/84/17/172208417.db2.gz DDBCLNXDURKXFA-ZDUSSCGKSA-N 0 3 269.772 4.158 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035458977 172208484 /nfs/dbraw/zinc/20/84/84/172208484.db2.gz ISHPPLIOQHHQGH-ZDUSSCGKSA-N 0 3 269.772 4.158 10 0 CIAEHN CN[C@@H](CC(F)(F)F)c1ccc(CC(C)C)cc1 ZINC000035459880 172209526 /nfs/dbraw/zinc/20/95/26/172209526.db2.gz ZPTFQZXTJKDUTO-ZDUSSCGKSA-N 0 3 259.315 4.098 10 0 CIAEHN CCc1ccc([C@@H](NC)c2ccc(C)cc2C)s1 ZINC000035461116 172209800 /nfs/dbraw/zinc/20/98/00/172209800.db2.gz BPWSQIDSKOMZHU-INIZCTEOSA-N 0 3 259.418 4.236 10 0 CIAEHN CN[C@H](c1ccc(Cl)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462182 172210857 /nfs/dbraw/zinc/21/08/57/172210857.db2.gz PCXIGVKTPLRDPX-OAHLLOKOSA-N 0 3 296.197 4.311 10 0 CIAEHN CN[C@H](c1ccc(Br)cc1)c1cccc(C)c1 ZINC000035462861 172211018 /nfs/dbraw/zinc/21/10/18/172211018.db2.gz YEXMRBIYRBKUCN-OAHLLOKOSA-N 0 3 290.204 4.066 10 0 CIAEHN CN[C@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035463818 172211685 /nfs/dbraw/zinc/21/16/85/172211685.db2.gz MQZLWZUMPVVJJE-CQSZACIVSA-N 0 3 284.161 4.441 10 0 CIAEHN CN[C@H](c1ccc(Cl)cc1)c1cccc(C)c1C ZINC000035464576 172212323 /nfs/dbraw/zinc/21/23/23/172212323.db2.gz MEWIGIWTNJMORV-MRXNPFEDSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](c1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000035464522 172212450 /nfs/dbraw/zinc/21/24/50/172212450.db2.gz XJWYKGXEDPVGHW-HNNXBMFYSA-N 0 3 263.743 4.096 10 0 CIAEHN CN[C@H](c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000035464611 172212519 /nfs/dbraw/zinc/21/25/19/172212519.db2.gz DQLIALOVRQXLJD-MRXNPFEDSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](c1cccc(Cl)c1)c1ccc(C)cc1C ZINC000035468254 172217839 /nfs/dbraw/zinc/21/78/39/172217839.db2.gz NSMRVXGVEMSWBL-INIZCTEOSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468599 172217876 /nfs/dbraw/zinc/21/78/76/172217876.db2.gz UTMZDQWASFBYMZ-OAHLLOKOSA-N 0 3 281.733 4.121 10 0 CIAEHN CN[C@H](Cc1ccccc1Cl)c1cc(F)ccc1F ZINC000035468695 172218911 /nfs/dbraw/zinc/21/89/11/172218911.db2.gz WNHHEBPZDYVBLF-OAHLLOKOSA-N 0 3 281.733 4.121 10 0 CIAEHN CN[C@H](c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000035488231 172222842 /nfs/dbraw/zinc/22/28/42/172222842.db2.gz OAJXMKHHTRXDCC-HNNXBMFYSA-N 0 3 259.418 4.354 10 0 CIAEHN CN[C@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035487851 172222963 /nfs/dbraw/zinc/22/29/63/172222963.db2.gz LPWHLKWPOLIYDO-OAHLLOKOSA-N 0 3 277.458 4.387 10 0 CIAEHN CN[C@@H](c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000035488317 172223347 /nfs/dbraw/zinc/22/33/47/172223347.db2.gz CMBOAIQMVMNFJJ-GFCCVEGCSA-N 0 3 271.307 4.076 10 0 CIAEHN CN[C@@H](CC(F)(F)F)c1c(C)c(C)cc(C)c1C ZINC000035491433 172225476 /nfs/dbraw/zinc/22/54/76/172225476.db2.gz CQCINLKUFUFTEX-LBPRGKRZSA-N 0 3 259.315 4.133 10 0 CIAEHN CCc1ccc([C@@H](NC)c2ccccc2Cl)cc1 ZINC000035494955 172227617 /nfs/dbraw/zinc/22/76/17/172227617.db2.gz LKMSBXPNTRMDPX-MRXNPFEDSA-N 0 3 259.780 4.211 10 0 CIAEHN 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ZINC000035498430 172232035 /nfs/dbraw/zinc/23/20/35/172232035.db2.gz LWNGKVUDWSMBKK-CQSZACIVSA-N 0 3 265.809 4.327 10 0 CIAEHN CN[C@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035499431 172232691 /nfs/dbraw/zinc/23/26/91/172232691.db2.gz COGRHAVWGDKWBC-HNNXBMFYSA-N 0 3 257.358 4.112 10 0 CIAEHN CCN[C@@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035510337 172241524 /nfs/dbraw/zinc/24/15/24/172241524.db2.gz UVSVSECEIJLXAQ-CQSZACIVSA-N 0 3 265.809 4.409 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccc(C)c(F)c1 ZINC000035510277 172241593 /nfs/dbraw/zinc/24/15/93/172241593.db2.gz PGZOCZQHAYFAMA-HNNXBMFYSA-N 0 3 263.381 4.203 10 0 CIAEHN CCN[C@@H](c1ccc(C)s1)c1ccc(CC)cc1 ZINC000035510123 172241648 /nfs/dbraw/zinc/24/16/48/172241648.db2.gz MMXMIZOCYAUTFX-MRXNPFEDSA-N 0 3 259.418 4.318 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035510364 172242435 /nfs/dbraw/zinc/24/24/35/172242435.db2.gz PUMYITBJHGSEAY-AWEZNQCLSA-N 0 3 265.809 4.409 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccc(CC)s1 ZINC000035537272 172243689 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ZINC000035655056 172331870 /nfs/dbraw/zinc/33/18/70/172331870.db2.gz XIOMXJIFWDGTAC-HNNXBMFYSA-N 0 3 273.763 4.050 10 0 CIAEHN CC(C)(C)Sc1ccc(C(F)(F)F)cc1CN ZINC000035719965 172374815 /nfs/dbraw/zinc/37/48/15/172374815.db2.gz WDQCTEQBXXNSSG-UHFFFAOYSA-N 0 3 263.328 4.055 10 0 CIAEHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2cccs2)c(C)n1 ZINC000037235388 173053631 /nfs/dbraw/zinc/05/36/31/173053631.db2.gz XUSPGNIGOLZIKI-GXTWGEPZSA-N 0 3 274.433 4.480 10 0 CIAEHN Cc1ncsc1[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000037303883 173109072 /nfs/dbraw/zinc/10/90/72/173109072.db2.gz FYCZWVCMLJSQLV-WFASDCNBSA-N 0 3 272.417 4.253 10 0 CIAEHN C[C@@H](N)c1c(F)cccc1Sc1ccc(F)c(F)c1 ZINC000037380916 173167028 /nfs/dbraw/zinc/16/70/28/173167028.db2.gz UMMOELGZIBMRJK-MRVPVSSYSA-N 0 3 283.318 4.275 10 0 CIAEHN CCC[C@@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440667 173210508 /nfs/dbraw/zinc/21/05/08/173210508.db2.gz JHPNVNXRIOAAQN-LLVKDONJSA-N 0 3 265.788 4.071 10 0 CIAEHN CCCN[C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533596 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/nfs/dbraw/zinc/25/94/62/171259462.db2.gz VIRMSTUETBERFA-HNNXBMFYSA-N 0 3 290.204 4.114 10 0 CIAEHN CC(C)CCNCc1cc2ccccc2nc1Cl ZINC000020967264 171281956 /nfs/dbraw/zinc/28/19/56/171281956.db2.gz VHHPLDXVQCBQBN-UHFFFAOYSA-N 0 3 262.784 4.024 10 0 CIAEHN Cc1ccccc1[C@@H](N)COc1cccc(C(C)C)c1 ZINC000021011868 171287616 /nfs/dbraw/zinc/28/76/16/171287616.db2.gz CRDQDJMEGOMHKT-SFHVURJKSA-N 0 3 269.388 4.197 10 0 CIAEHN CC1CCC(NCc2ccc(F)cc2Cl)CC1 ZINC000021024416 171290871 /nfs/dbraw/zinc/29/08/71/171290871.db2.gz AZDCLQLHVIGAPK-UHFFFAOYSA-N 0 3 255.764 4.147 10 0 CIAEHN Cc1ccc(O[C@H](C(C)C)[C@@H](N)c2ccccc2)c(C)c1 ZINC000021032958 171291994 /nfs/dbraw/zinc/29/19/94/171291994.db2.gz SOWLXTZAUSBIIW-RBUKOAKNSA-N 0 3 283.415 4.407 10 0 CIAEHN Cc1ccc([C@@H](N)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000021043829 171293925 /nfs/dbraw/zinc/29/39/25/171293925.db2.gz URYXPWSUCAHMFJ-SFHVURJKSA-N 0 3 283.415 4.371 10 0 CIAEHN C[C@H](Oc1ccc2ccccc2c1)[C@@H](N)c1ccccc1 ZINC000021057641 171296028 /nfs/dbraw/zinc/29/60/28/171296028.db2.gz XWFQDVCDKWKYPE-IFXJQAMLSA-N 0 3 277.367 4.307 10 0 CIAEHN Cc1cccc(OC[C@H](N)c2cccc(C(F)(F)F)c2)c1 ZINC000021502829 171306534 /nfs/dbraw/zinc/30/65/34/171306534.db2.gz GXNGLKUAPOLQLK-HNNXBMFYSA-N 0 3 295.304 4.093 10 0 CIAEHN CC[C@H]1CCCC[C@@H]1Oc1cccc(F)c1[C@@H](C)N ZINC000021508492 171308611 /nfs/dbraw/zinc/30/86/11/171308611.db2.gz SWUQOWOROQGPQP-DYEKYZERSA-N 0 3 265.372 4.193 10 0 CIAEHN Cc1ccc(C)c([C@H](N)c2c(C)cc(C)cc2C)c1 ZINC000021507835 171308680 /nfs/dbraw/zinc/30/86/80/171308680.db2.gz XVIUDOPEGRSNDG-SFHVURJKSA-N 0 3 253.389 4.277 10 0 CIAEHN CC[C@H]1CCCC[C@H]1Oc1cccc(F)c1[C@@H](C)N ZINC000021508495 171308725 /nfs/dbraw/zinc/30/87/25/171308725.db2.gz SWUQOWOROQGPQP-MBNYWOFBSA-N 0 3 265.372 4.193 10 0 CIAEHN Cc1ccc([C@H](N)[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509104 171309130 /nfs/dbraw/zinc/30/91/30/171309130.db2.gz HQKBABJJHSJQTB-MAUKXSAKSA-N 0 3 269.388 4.079 10 0 CIAEHN CC[C@H](C)c1ccccc1O[C@H]1Cc2ccccc2[C@@H]1N ZINC000021509940 171309617 /nfs/dbraw/zinc/30/96/17/171309617.db2.gz VLOWTULEJWHXPO-AGRHKRQWSA-N 0 3 281.399 4.204 10 0 CIAEHN CCc1cccc(Oc2ccc(F)cc2[C@H](C)N)c1 ZINC000021511611 171310494 /nfs/dbraw/zinc/31/04/94/171310494.db2.gz NTKGEYRMGMGAJZ-NSHDSACASA-N 0 3 259.324 4.200 10 0 CIAEHN CC(C)C[C@H](C)OC[C@H](N)c1cccc2ccccc21 ZINC000021517053 171313229 /nfs/dbraw/zinc/31/32/29/171313229.db2.gz QGMAFIFROBDPRU-KSSFIOAISA-N 0 3 271.404 4.291 10 0 CIAEHN CCc1ccc([C@@H](C)NCc2ccc(C)cc2)cc1 ZINC000021517757 171314024 /nfs/dbraw/zinc/31/40/24/171314024.db2.gz JSXXGSRGJYIJRF-OAHLLOKOSA-N 0 3 253.389 4.408 10 0 CIAEHN CCc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000021518411 171314388 /nfs/dbraw/zinc/31/43/88/171314388.db2.gz VXZNNJOITOBUDT-GOSISDBHSA-N 0 3 251.373 4.026 10 0 CIAEHN Cc1ccc(Oc2ccc(F)cc2[C@@H](C)N)cc1C ZINC000021519009 171315055 /nfs/dbraw/zinc/31/50/55/171315055.db2.gz YACOKHDAGCOGIQ-GFCCVEGCSA-N 0 3 259.324 4.255 10 0 CIAEHN CCCc1ccc([C@H](N)c2ccc(C)c(F)c2)cc1 ZINC000021520156 171315542 /nfs/dbraw/zinc/31/55/42/171315542.db2.gz VNQCBJJDRWHWST-KRWDZBQOSA-N 0 3 257.352 4.135 10 0 CIAEHN C[C@@H](NCCc1ccc(F)cc1)c1ccccc1Cl ZINC000021798932 171325591 /nfs/dbraw/zinc/32/55/91/171325591.db2.gz BCGLDYPWIDNPBD-GFCCVEGCSA-N 0 3 277.770 4.372 10 0 CIAEHN CC[C@@H](C)c1ccc([C@@H](N)c2cccc(F)c2)cc1 ZINC000021811909 171329309 /nfs/dbraw/zinc/32/93/09/171329309.db2.gz SXMMKIRRKWEDNJ-SJKOYZFVSA-N 0 3 257.352 4.387 10 0 CIAEHN Cc1ccc(C)c(O[C@H](C(C)C)[C@H](N)c2ccccc2)c1 ZINC000021815737 171332132 /nfs/dbraw/zinc/33/21/32/171332132.db2.gz QKKLSLCGCBKQJV-RTBURBONSA-N 0 3 283.415 4.407 10 0 CIAEHN C[C@H]1CCCC[C@H]1NCc1c(F)cccc1Cl ZINC000021817852 171333410 /nfs/dbraw/zinc/33/34/10/171333410.db2.gz DTJFPPPSEGGETP-IINYFYTJSA-N 0 3 255.764 4.147 10 0 CIAEHN CC(C)CC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000022146228 171356645 /nfs/dbraw/zinc/35/66/45/171356645.db2.gz LITAUAYHTIBNAZ-NWDGAFQWSA-N 0 3 255.352 4.440 10 0 CIAEHN CCCN(CCC)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000022148812 171357584 /nfs/dbraw/zinc/35/75/84/171357584.db2.gz IDSCJOHDDZCBOQ-ZDUSSCGKSA-N 0 3 289.250 4.115 10 0 CIAEHN c1ccc(CCCNc2ccnc3ccccc32)cc1 ZINC000029348018 171594903 /nfs/dbraw/zinc/59/49/03/171594903.db2.gz GVBBPBHXCFPAPH-UHFFFAOYSA-N 0 3 262.356 4.280 10 0 CIAEHN CCN[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035189084 172044159 /nfs/dbraw/zinc/04/41/59/172044159.db2.gz BZDUHJKDCDHSTH-KRWDZBQOSA-N 0 3 271.429 4.326 10 0 CIAEHN Cc1cc(N[C@@H](C)c2cccnc2)c2ccccc2n1 ZINC000035206414 172051187 /nfs/dbraw/zinc/05/11/87/172051187.db2.gz VRERKSULKUKRSK-ZDUSSCGKSA-N 0 3 263.344 4.111 10 0 CIAEHN N[C@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035379718 172162177 /nfs/dbraw/zinc/16/21/77/172162177.db2.gz NMDPOSDOKRNVLB-CQSZACIVSA-N 0 3 263.431 4.127 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1cc2c(s1)CCCC2 ZINC000035458646 172207783 /nfs/dbraw/zinc/20/77/83/172207783.db2.gz RDIBJKHJSPFBNS-HNNXBMFYSA-N 0 3 277.458 4.306 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000035459398 172208622 /nfs/dbraw/zinc/20/86/22/172208622.db2.gz MQXNGLARSBJWQS-ZDUSSCGKSA-N 0 3 285.334 4.384 10 0 CIAEHN CN[C@H](c1sccc1C)c1ccc2c(c1)CCCC2 ZINC000035459972 172209081 /nfs/dbraw/zinc/20/90/81/172209081.db2.gz FQHWDWJMASSUHA-INIZCTEOSA-N 0 3 271.429 4.244 10 0 CIAEHN CN[C@H](c1ccc(Br)cc1)c1ccccc1C ZINC000035462942 172210527 /nfs/dbraw/zinc/21/05/27/172210527.db2.gz SDVBFQGGOHIICM-OAHLLOKOSA-N 0 3 290.204 4.066 10 0 CIAEHN CN[C@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035464041 172211486 /nfs/dbraw/zinc/21/14/86/172211486.db2.gz KOEFWBITYZUUDS-HNNXBMFYSA-N 0 3 277.820 4.199 10 0 CIAEHN CN[C@@H](c1ccc(Cl)cc1)c1cc(C)cc(C)c1 ZINC000035464473 172212614 /nfs/dbraw/zinc/21/26/14/172212614.db2.gz SMBJAKAYEDSKOE-INIZCTEOSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468598 172217995 /nfs/dbraw/zinc/21/79/95/172217995.db2.gz UTMZDQWASFBYMZ-HNNXBMFYSA-N 0 3 281.733 4.121 10 0 CIAEHN CN[C@@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000035469450 172219722 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OOQJJZRAVUSZRP-LBPRGKRZSA-N 0 3 251.420 4.044 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000035498313 172231951 /nfs/dbraw/zinc/23/19/51/172231951.db2.gz BLTQFHAEYUZHTN-CQSZACIVSA-N 0 3 265.809 4.327 10 0 CIAEHN CCOc1ccc([C@@H](NC)c2ccc(Cl)s2)cc1 ZINC000035498532 172232179 /nfs/dbraw/zinc/23/21/79/172232179.db2.gz WLGBXCIEZXVJFV-CQSZACIVSA-N 0 3 281.808 4.109 10 0 CIAEHN CN[C@H](c1csc2ccccc21)c1cccc(F)c1 ZINC000035499748 172233120 /nfs/dbraw/zinc/23/31/20/172233120.db2.gz XLZHGSYCDLTIFD-INIZCTEOSA-N 0 3 271.360 4.349 10 0 CIAEHN CN[C@@H](c1cccs1)c1csc2ccccc12 ZINC000035499476 172233124 /nfs/dbraw/zinc/23/31/24/172233124.db2.gz CBCYWFWVYOMQDH-CQSZACIVSA-N 0 3 259.399 4.272 10 0 CIAEHN CN[C@@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035499429 172233388 /nfs/dbraw/zinc/23/33/88/172233388.db2.gz COGRHAVWGDKWBC-OAHLLOKOSA-N 0 3 257.358 4.112 10 0 CIAEHN CN[C@@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035499835 172233724 /nfs/dbraw/zinc/23/37/24/172233724.db2.gz PXQVCCMFSHYXBI-JTQLQIEISA-N 0 3 259.296 4.114 10 0 CIAEHN CN[C@@H](c1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000035501433 172235476 /nfs/dbraw/zinc/23/54/76/172235476.db2.gz CYPUNJGWWSJLMY-GFCCVEGCSA-N 0 3 272.200 4.364 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035510201 172241891 /nfs/dbraw/zinc/24/18/91/172241891.db2.gz AMSAFHTYJJNERC-AWEZNQCLSA-N 0 3 267.344 4.034 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccc(CC)s1 ZINC000035537316 172244135 /nfs/dbraw/zinc/24/41/35/172244135.db2.gz OGKZBJDGWZUMDP-ZDUSSCGKSA-N 0 3 251.420 4.071 10 0 CIAEHN CCN[C@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035539669 172245727 /nfs/dbraw/zinc/24/57/27/172245727.db2.gz BDPJCHGUKDRLAM-INIZCTEOSA-N 0 3 275.392 4.075 10 0 CIAEHN CCN[C@@H](c1cc(C)oc1C)c1ccc(C)cc1C ZINC000035542567 172250503 /nfs/dbraw/zinc/25/05/03/172250503.db2.gz YLAFPNKUASTNLM-QGZVFWFLSA-N 0 3 257.377 4.212 10 0 CIAEHN CCN[C@@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035545309 172253507 /nfs/dbraw/zinc/25/35/07/172253507.db2.gz MRDLZSQOOWGLFO-CYBMUJFWSA-N 0 3 283.343 4.048 10 0 CIAEHN CCN[C@H](c1cccs1)c1cccc(Br)c1 ZINC000035545414 172253536 /nfs/dbraw/zinc/25/35/36/172253536.db2.gz KOHJIOYXUAFKEL-ZDUSSCGKSA-N 0 3 296.233 4.210 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035545440 172253758 /nfs/dbraw/zinc/25/37/58/172253758.db2.gz BXELZHXAAHOBQY-CYBMUJFWSA-N 0 3 269.772 4.240 10 0 CIAEHN CCN[C@@H](c1ccsc1)c1c(C)cc(C)cc1C ZINC000035547656 172256198 /nfs/dbraw/zinc/25/61/98/172256198.db2.gz LVXRTFREDMSWEI-INIZCTEOSA-N 0 3 259.418 4.372 10 0 CIAEHN CCCc1ccc([C@H](CC(F)(F)F)NCC)cc1 ZINC000035550684 172258531 /nfs/dbraw/zinc/25/85/31/172258531.db2.gz SBRYERATLCXBNO-ZDUSSCGKSA-N 0 3 259.315 4.242 10 0 CIAEHN CCN[C@@H](c1cc(C)oc1C)c1cc(C)sc1C ZINC000035551986 172259361 /nfs/dbraw/zinc/25/93/61/172259361.db2.gz QAIGWHGGKHLOPA-HNNXBMFYSA-N 0 3 263.406 4.274 10 0 CIAEHN CCN[C@@H](c1cccs1)c1cc(C)sc1C ZINC000035552006 172259394 /nfs/dbraw/zinc/25/93/94/172259394.db2.gz DFCWNSOKYVZGKJ-CYBMUJFWSA-N 0 3 251.420 4.125 10 0 CIAEHN CCN[C@@H](c1cc(C)sc1C)c1ccc(F)cc1 ZINC000035552580 172259685 /nfs/dbraw/zinc/25/96/85/172259685.db2.gz RNHKFPWBNCOUFT-OAHLLOKOSA-N 0 3 263.381 4.203 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035553518 172259707 /nfs/dbraw/zinc/25/97/07/172259707.db2.gz UULWCIPMXVMBGJ-CQSZACIVSA-N 0 3 281.808 4.109 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035553541 172260380 /nfs/dbraw/zinc/26/03/80/172260380.db2.gz KCYMZSVKJHSITN-CYBMUJFWSA-N 0 3 269.772 4.240 10 0 CIAEHN CCN[C@@H](c1ccoc1)c1csc2ccccc12 ZINC000035554870 172261123 /nfs/dbraw/zinc/26/11/23/172261123.db2.gz CTNGPDCCZXIFHO-HNNXBMFYSA-N 0 3 257.358 4.193 10 0 CIAEHN CCN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1C ZINC000035559119 172264525 /nfs/dbraw/zinc/26/45/25/172264525.db2.gz JMTXFRSHRKCQMU-PLMOITTCSA-N 0 3 258.192 4.300 10 0 CIAEHN CCCN[C@@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035574090 172270506 /nfs/dbraw/zinc/27/05/06/172270506.db2.gz RFLALSLTHHEFRI-CQSZACIVSA-N 0 3 294.192 4.131 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035573712 172270746 /nfs/dbraw/zinc/27/07/46/172270746.db2.gz LBRONVNKTNTYRG-SNVBAGLBSA-N 0 3 265.344 4.304 10 0 CIAEHN CCCN[C@H](c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000035575098 172270919 /nfs/dbraw/zinc/27/09/19/172270919.db2.gz LMYNAFOQWHMOBF-HNNXBMFYSA-N 0 3 263.768 4.330 10 0 CIAEHN CCCN[C@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035577253 172273615 /nfs/dbraw/zinc/27/36/15/172273615.db2.gz GHLKNNNGIAZSQC-QGZVFWFLSA-N 0 3 257.352 4.223 10 0 CIAEHN CCCN[C@@H](CCC(C)C)c1cc(F)ccc1F ZINC000035580165 172275600 /nfs/dbraw/zinc/27/56/00/172275600.db2.gz LCGMINYQDFYUQW-HNNXBMFYSA-N 0 3 255.352 4.442 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035583147 172281251 /nfs/dbraw/zinc/28/12/51/172281251.db2.gz NCCNRGBTMXSFKW-CQSZACIVSA-N 0 3 271.326 4.168 10 0 CIAEHN CCCN[C@H](c1cc(C)sc1C)c1ccccc1 ZINC000035583269 172281660 /nfs/dbraw/zinc/28/16/60/172281660.db2.gz WCWYELDTOMAKQE-INIZCTEOSA-N 0 3 259.418 4.454 10 0 CIAEHN CCCN[C@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035583666 172281690 /nfs/dbraw/zinc/28/16/90/172281690.db2.gz JLAAHXUYOUMSRH-HNNXBMFYSA-N 0 3 295.835 4.499 10 0 CIAEHN CC(C)N[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000035652935 172329503 /nfs/dbraw/zinc/32/95/03/172329503.db2.gz JLGDAHGQXRPWRQ-NSHDSACASA-N 0 3 274.191 4.205 10 0 CIAEHN CN[C@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653133 172329510 /nfs/dbraw/zinc/32/95/10/172329510.db2.gz XSTDYBBUJIQVDN-QMMMGPOBSA-N 0 3 280.582 4.080 10 0 CIAEHN C[C@H](NC1Cc2ccccc2C1)c1ccccc1Cl ZINC000035657990 172333304 /nfs/dbraw/zinc/33/33/04/172333304.db2.gz NSDBMLGEVYWGFK-LBPRGKRZSA-N 0 3 271.791 4.158 10 0 CIAEHN CCNCc1cc(Cl)cc(Cl)c1O[C@H](C)CC ZINC000035662088 172340599 /nfs/dbraw/zinc/34/05/99/172340599.db2.gz LJOZPBAGOVCOQV-SECBINFHSA-N 0 3 276.207 4.280 10 0 CIAEHN CC(C)COc1c(Cl)cc(Cl)cc1CNC1CC1 ZINC000035662188 172340627 /nfs/dbraw/zinc/34/06/27/172340627.db2.gz MLAFTWXLNQRIPX-UHFFFAOYSA-N 0 3 288.218 4.280 10 0 CIAEHN NCc1ccc(Sc2cccs2)cc1C(F)(F)F ZINC000035719929 172374787 /nfs/dbraw/zinc/37/47/87/172374787.db2.gz IIBHUYIDWAYGDK-UHFFFAOYSA-N 0 3 289.347 4.377 10 0 CIAEHN C[C@@H]1C[C@@H](NC2CC2)c2cccc(Cl)c2S1 ZINC000035760282 172398736 /nfs/dbraw/zinc/39/87/36/172398736.db2.gz AGOUWJQLPUJPND-PRHODGIISA-N 0 3 253.798 4.017 10 0 CIAEHN CCC[C@H](C)[C@@H](NC)c1ccc(OC)cc1Cl ZINC000036768362 172686030 /nfs/dbraw/zinc/68/60/30/172686030.db2.gz VWHDVSPUDHERTF-IINYFYTJSA-N 0 3 255.789 4.045 10 0 CIAEHN CCCCCN(C)c1cccc(Cl)c1CNC(C)C ZINC000037171984 173005501 /nfs/dbraw/zinc/00/55/01/173005501.db2.gz GHYLHOJWHDVTIB-UHFFFAOYSA-N 0 3 282.859 4.464 10 0 CIAEHN NCc1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000037237509 173055083 /nfs/dbraw/zinc/05/50/83/173055083.db2.gz XIAJRHDBTOEIOM-UHFFFAOYSA-N 0 3 286.133 4.384 10 0 CIAEHN Cc1ncsc1[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000037281182 173089353 /nfs/dbraw/zinc/08/93/53/173089353.db2.gz XWMJBTUEHXNMOU-DZGCQCFKSA-N 0 3 274.433 4.499 10 0 CIAEHN Cc1ncsc1[C@H](C)N[C@@H]1CCSc2ccccc21 ZINC000037316092 173117545 /nfs/dbraw/zinc/11/75/45/173117545.db2.gz XIRFQAPUFAIKRD-WCQYABFASA-N 0 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CIAEHN Cc1ccccc1C1CC(N[C@H](C)c2ccco2)C1 ZINC000037506824 173241568 /nfs/dbraw/zinc/24/15/68/173241568.db2.gz RPALGHPKMIMBOQ-WLYUNCDWSA-N 0 3 255.361 4.185 10 0 CIAEHN CC(C)Cc1ccc([C@H](N)COCc2ccccc2)cc1 ZINC000037981150 173941087 /nfs/dbraw/zinc/94/10/87/173941087.db2.gz UBVULBSPYSXIST-LJQANCHMSA-N 0 3 283.415 4.102 10 0 CIAEHN CCCn1c2ccc(F)cc2nc1[C@@H](N)C1CCCCC1 ZINC000038036799 174035874 /nfs/dbraw/zinc/03/58/74/174035874.db2.gz BLKXKSBANCJMLV-INIZCTEOSA-N 0 3 289.398 4.166 10 0 CIAEHN CCCn1c2ccc(C)cc2nc1[C@@H](N)C1CCCCC1 ZINC000038036787 174036150 /nfs/dbraw/zinc/03/61/50/174036150.db2.gz NMZLFRYMSHZBQR-KRWDZBQOSA-N 0 3 285.435 4.335 10 0 CIAEHN CC(C)NCc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070792 174081657 /nfs/dbraw/zinc/08/16/57/174081657.db2.gz WNBMEWPGGQRXSU-UHFFFAOYSA-N 0 3 261.315 4.130 10 0 CIAEHN CCCNCc1ccc(-c2cccc(F)c2)cc1F ZINC000038071631 174082521 /nfs/dbraw/zinc/08/25/21/174082521.db2.gz NASNHAUOCSTGFM-UHFFFAOYSA-N 0 3 261.315 4.131 10 0 CIAEHN 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/nfs/dbraw/zinc/77/87/03/524778703.db2.gz YIOVZHFLLUGMCM-GFCCVEGCSA-N 0 3 276.811 4.146 10 0 CIAEHN Cc1cccc([C@H](N)c2ccccc2C(F)(F)F)c1 ZINC000055233803 524881515 /nfs/dbraw/zinc/88/15/15/524881515.db2.gz KEZDXPRJSYKEPJ-AWEZNQCLSA-N 0 3 265.278 4.062 10 0 CIAEHN Cc1cc(F)ccc1CN[C@H](C)c1ccc(F)cc1 ZINC000050569141 524977652 /nfs/dbraw/zinc/97/76/52/524977652.db2.gz RPNBHPCVDGHAGM-GFCCVEGCSA-N 0 3 261.315 4.124 10 0 CIAEHN Cc1cc([C@H](N)c2cccc(OC(C)C)c2)c(C)s1 ZINC000061666183 525536132 /nfs/dbraw/zinc/53/61/32/525536132.db2.gz DUIZBSWJRYNTPS-MRXNPFEDSA-N 0 3 275.417 4.200 10 0 CIAEHN Cc1ccc(Sc2ccc(Cl)cc2CN)cc1 ZINC000052858663 525670608 /nfs/dbraw/zinc/67/06/08/525670608.db2.gz LRMCNAPKKWQOIK-UHFFFAOYSA-N 0 3 263.793 4.258 10 0 CIAEHN C[C@H](c1cccs1)N(C)Cc1ccc(Cl)cc1N ZINC000050443112 526153876 /nfs/dbraw/zinc/15/38/76/526153876.db2.gz JQSBQPVCDPAGLD-SNVBAGLBSA-N 0 3 280.824 4.177 10 0 CIAEHN C[C@H]1[C@H](NCc2c(F)cccc2Cl)CCC[C@@H]1C ZINC000004204829 567855947 /nfs/dbraw/zinc/85/59/47/567855947.db2.gz WDEUUKKXKBLDLE-FIXISWKDSA-N 0 3 269.791 4.393 10 0 CIAEHN CCCCN1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000226250976 567039182 /nfs/dbraw/zinc/03/91/82/567039182.db2.gz PTBIJOZMIXJUSR-UHFFFAOYSA-N 0 3 290.794 4.370 10 0 CIAEHN CC(C)C[C@H](N)c1cc2ccc(Br)cc2o1 ZINC000675081112 570368915 /nfs/dbraw/zinc/36/89/15/570368915.db2.gz HFKIIGCMMIKVHZ-NSHDSACASA-N 0 3 282.181 4.241 10 0 CIAEHN CNCc1sc(Cc2cccc(Cl)c2)nc1C(C)C ZINC000082429761 178007195 /nfs/dbraw/zinc/00/71/95/178007195.db2.gz XYJRIZABGVDEDA-UHFFFAOYSA-N 0 3 294.851 4.230 10 0 CIAEHN CC(C)c1nc(CSC2CCCCC2)sc1CN ZINC000082430208 178008125 /nfs/dbraw/zinc/00/81/25/178008125.db2.gz CXVMTAAGEQVEIU-UHFFFAOYSA-N 0 3 284.494 4.291 10 0 CIAEHN c1csc(-c2nc(C3CC3)c(CNC3CC3)s2)c1 ZINC000082436817 178014821 /nfs/dbraw/zinc/01/48/21/178014821.db2.gz ZDCLZMBSASSAAW-UHFFFAOYSA-N 0 3 276.430 4.001 10 0 CIAEHN CNCc1sc(-c2c(F)cccc2F)nc1C(C)(C)C ZINC000082439315 178017602 /nfs/dbraw/zinc/01/76/02/178017602.db2.gz SPAGBEGCJVOUMJ-UHFFFAOYSA-N 0 3 296.386 4.105 10 0 CIAEHN Cc1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000328402026 334942579 /nfs/dbraw/zinc/94/25/79/334942579.db2.gz DXMNULJLMWEJJV-NWDGAFQWSA-N 0 3 277.355 4.267 10 0 CIAEHN CSc1ccc(O[C@H](CN)c2cccc(Cl)c2)cc1 ZINC000104335582 185973735 /nfs/dbraw/zinc/97/37/35/185973735.db2.gz NKAZNFXECUOYNI-OAHLLOKOSA-N 0 3 293.819 4.141 10 0 CIAEHN CC[C@H](NCc1ccc(F)cc1C)c1cccs1 ZINC000050577572 522644586 /nfs/dbraw/zinc/64/45/86/522644586.db2.gz VPHWYZXIGSCBAL-AWEZNQCLSA-N 0 3 263.381 4.437 10 0 CIAEHN Clc1ccc(NC2=NCCCCC2)cc1Cl ZINC000006220212 170183461 /nfs/dbraw/zinc/18/34/61/170183461.db2.gz ZKPHPNZMWXFJJF-UHFFFAOYSA-N 0 3 257.164 4.378 10 0 CIAEHN CC(C)Cc1ccc([C@@H](N)c2ccc(F)cc2)cc1 ZINC000019232645 170757470 /nfs/dbraw/zinc/75/74/70/170757470.db2.gz PZXTUSCQSDPQIW-QGZVFWFLSA-N 0 3 257.352 4.072 10 0 CIAEHN N[C@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000019804041 170873410 /nfs/dbraw/zinc/87/34/10/170873410.db2.gz UJAWFLZAAJEMPF-CYBMUJFWSA-N 0 3 270.134 4.181 10 0 CIAEHN CC[C@@H](c1ccccc1)[C@@H](N)c1c(F)cc(F)cc1F ZINC000019971680 170954923 /nfs/dbraw/zinc/95/49/23/170954923.db2.gz PHWAIPRWZWYVBQ-BLLLJJGKSA-N 0 3 279.305 4.298 10 0 CIAEHN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121317 171000423 /nfs/dbraw/zinc/00/04/23/171000423.db2.gz VTNBFPKEMKBRTL-BLLLJJGKSA-N 0 3 258.340 4.023 10 0 CIAEHN C[C@@H](N[C@H]1CCCCc2ccccc21)c1ccncc1 ZINC000020121147 171000519 /nfs/dbraw/zinc/00/05/19/171000519.db2.gz WPDWIVMRZJLKSN-KDOFPFPSSA-N 0 3 266.388 4.200 10 0 CIAEHN C[C@@H](N[C@@H](C)c1ccc(O)cc1)c1cccc(Cl)c1 ZINC000020124209 171006636 /nfs/dbraw/zinc/00/66/36/171006636.db2.gz RVHOEYVGELOBET-NWDGAFQWSA-N 0 3 275.779 4.457 10 0 CIAEHN C[C@H](NCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000020126049 171009400 /nfs/dbraw/zinc/00/94/00/171009400.db2.gz CXGOUWAZCSNFEM-JTQLQIEISA-N 0 3 281.186 4.239 10 0 CIAEHN C[C@@H](NCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000020126048 171009873 /nfs/dbraw/zinc/00/98/73/171009873.db2.gz CXGOUWAZCSNFEM-SNVBAGLBSA-N 0 3 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10 0 CIAEHN Cc1ccc(C)c(Oc2cccc(Cl)c2CN)c1 ZINC000020470252 171212658 /nfs/dbraw/zinc/21/26/58/171212658.db2.gz VEYPMDZUFBSVCI-UHFFFAOYSA-N 0 3 261.752 4.208 10 0 CIAEHN CCCCN(CCCC)c1cccc(F)c1[C@H](C)N ZINC000020485717 171225099 /nfs/dbraw/zinc/22/50/99/171225099.db2.gz OTNNREOPGUAGCP-ZDUSSCGKSA-N 0 3 266.404 4.252 10 0 CIAEHN Cc1cccc(O[C@H](C(C)C)[C@@H](N)c2ccccc2)c1C ZINC000020548748 171245868 /nfs/dbraw/zinc/24/58/68/171245868.db2.gz JAVRSKNTPLLDFA-RBUKOAKNSA-N 0 3 283.415 4.407 10 0 CIAEHN CCCN(CCC)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000020552919 171248005 /nfs/dbraw/zinc/24/80/05/171248005.db2.gz RSBHYVXOSFLCDL-ZDUSSCGKSA-N 0 3 289.250 4.115 10 0 CIAEHN CCCN(CCC)[C@H](CN)c1c(Cl)cccc1Cl ZINC000020552920 171248049 /nfs/dbraw/zinc/24/80/49/171248049.db2.gz RSBHYVXOSFLCDL-CYBMUJFWSA-N 0 3 289.250 4.115 10 0 CIAEHN Cc1cc(C)c([C@@H](N)COc2ccc(C)c(C)c2)c(C)c1 ZINC000020559151 171251120 /nfs/dbraw/zinc/25/11/20/171251120.db2.gz HAPSHEFXMXRIEG-SFHVURJKSA-N 0 3 283.415 4.308 10 0 CIAEHN Cc1ccc(C(C)C)c(O[C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000020562752 171252220 /nfs/dbraw/zinc/25/22/20/171252220.db2.gz JHLLVZDPBKDBEM-RTBURBONSA-N 0 3 281.399 4.122 10 0 CIAEHN Cc1ccc([C@@H](N)c2ccc(Cl)cc2F)cc1C ZINC000020587155 171259307 /nfs/dbraw/zinc/25/93/07/171259307.db2.gz VBFVOHNMOIRFEM-OAHLLOKOSA-N 0 3 263.743 4.144 10 0 CIAEHN Cc1ccc([C@H](N)c2cccc(Br)c2)cc1C ZINC000020587124 171259528 /nfs/dbraw/zinc/25/95/28/171259528.db2.gz VIRMSTUETBERFA-OAHLLOKOSA-N 0 3 290.204 4.114 10 0 CIAEHN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H](N)c1ccccc1 ZINC000021009167 171285829 /nfs/dbraw/zinc/28/58/29/171285829.db2.gz MSUWFQCGVWDOHI-OWLYRPNTSA-N 0 3 275.436 4.164 10 0 CIAEHN CC[C@H]1CCCC[C@@H]1OC[C@@H](N)c1ccc(C)c(C)c1 ZINC000021039873 171293413 /nfs/dbraw/zinc/29/34/13/171293413.db2.gz IAOHLHDIWWVGSK-JQHSSLGASA-N 0 3 275.436 4.289 10 0 CIAEHN C[C@@H](NCCc1ccccc1)c1ccccc1Cl ZINC000021062294 171297251 /nfs/dbraw/zinc/29/72/51/171297251.db2.gz HDAYEGISBXSIEO-CYBMUJFWSA-N 0 3 259.780 4.233 10 0 CIAEHN N[C@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000021503043 171306231 /nfs/dbraw/zinc/30/62/31/171306231.db2.gz LQSDSJWNINJDOH-CYBMUJFWSA-N 0 3 257.299 4.074 10 0 CIAEHN Cc1ccc(C)c(O[C@H]2CCCc3ccccc3[C@H]2N)c1 ZINC000021509797 171309504 /nfs/dbraw/zinc/30/95/04/171309504.db2.gz BFOGFDTWQHUQOZ-PKOBYXMFSA-N 0 3 281.399 4.087 10 0 CIAEHN CC(C)C[C@@H](C)OC[C@@H](N)c1cccc2ccccc21 ZINC000021517050 171313205 /nfs/dbraw/zinc/31/32/05/171313205.db2.gz QGMAFIFROBDPRU-RDTXWAMCSA-N 0 3 271.404 4.291 10 0 CIAEHN CC(C)[C@@H](Oc1ccc(F)cc1F)[C@H](N)c1ccccc1 ZINC000021516835 171313214 /nfs/dbraw/zinc/31/32/14/171313214.db2.gz LYIJDWJRGXGOCG-IAGOWNOFSA-N 0 3 291.341 4.068 10 0 CIAEHN Cc1ccc([C@@H](N)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521099 171315871 /nfs/dbraw/zinc/31/58/71/171315871.db2.gz BTQJRUYLJJQRJE-QAPCUYQASA-N 0 3 269.388 4.079 10 0 CIAEHN CCc1ccc([C@@H](N)c2ccc(C(C)C)cc2)cc1 ZINC000021792563 171324199 /nfs/dbraw/zinc/32/41/99/171324199.db2.gz COQXLFPNDHQOPU-GOSISDBHSA-N 0 3 253.389 4.421 10 0 CIAEHN C[C@@H](NCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021794621 171324716 /nfs/dbraw/zinc/32/47/16/171324716.db2.gz LBDMEKJOPADPCO-OAHLLOKOSA-N 0 3 265.400 4.416 10 0 CIAEHN CC(C)(C)c1ccc([C@@H](N)COc2cccc(F)c2)cc1 ZINC000021794910 171324739 /nfs/dbraw/zinc/32/47/39/171324739.db2.gz FAPZOJNXHLFFKI-KRWDZBQOSA-N 0 3 287.378 4.202 10 0 CIAEHN Cc1ccccc1[C@@H](N)COc1ccc(C(C)C)cc1 ZINC000021799078 171325526 /nfs/dbraw/zinc/32/55/26/171325526.db2.gz YGXFHLGCHXPWGV-SFHVURJKSA-N 0 3 269.388 4.197 10 0 CIAEHN CCc1ccc([C@H](N)c2ccc(C(C)C)cc2)s1 ZINC000021804454 171326548 /nfs/dbraw/zinc/32/65/48/171326548.db2.gz TWOPBSQZRVAQRK-MRXNPFEDSA-N 0 3 259.418 4.482 10 0 CIAEHN CCc1ccc([C@@H](N)c2ccc(C(C)C)cc2)s1 ZINC000021804451 171326571 /nfs/dbraw/zinc/32/65/71/171326571.db2.gz TWOPBSQZRVAQRK-INIZCTEOSA-N 0 3 259.418 4.482 10 0 CIAEHN Cc1ccc([C@@H](N)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807408 171327928 /nfs/dbraw/zinc/32/79/28/171327928.db2.gz XUQOSVKTJAPRPI-QAPCUYQASA-N 0 3 269.388 4.079 10 0 CIAEHN Cc1ccc(Oc2ccc(F)cc2[C@@H](C)N)c(C)c1 ZINC000021813114 171330520 /nfs/dbraw/zinc/33/05/20/171330520.db2.gz ASDOWWCWCNPFNI-GFCCVEGCSA-N 0 3 259.324 4.255 10 0 CIAEHN Cc1ccc([C@H](NC2CC2)c2ccccc2)c(C)c1 ZINC000021964450 171343496 /nfs/dbraw/zinc/34/34/96/171343496.db2.gz ZBZIQZJEMXVWLQ-GOSISDBHSA-N 0 3 251.373 4.145 10 0 CIAEHN C[C@H]1CCCC[C@H]1OC[C@@H](N)c1ccc2ccccc2c1 ZINC000022147308 171357331 /nfs/dbraw/zinc/35/73/31/171357331.db2.gz YKCLNBUHZXVLIK-GDIGMMSISA-N 0 3 283.415 4.435 10 0 CIAEHN CCCCCOc1ccc(Cl)cc1CNCCC ZINC000034815334 171868556 /nfs/dbraw/zinc/86/85/56/171868556.db2.gz MTYBMWJAGKSLJD-UHFFFAOYSA-N 0 3 269.816 4.409 10 0 CIAEHN CC[C@H](C)N(CC)c1cccc(Cl)c1CNC(C)C ZINC000034825155 171879844 /nfs/dbraw/zinc/87/98/44/171879844.db2.gz MPGAZSVPIQMOHA-ZDUSSCGKSA-N 0 3 282.859 4.463 10 0 CIAEHN COc1ccccc1[C@H](C)NCc1cc(C)c(C)cc1C ZINC000034992484 171919823 /nfs/dbraw/zinc/91/98/23/171919823.db2.gz IDVNRBJIDCBCLL-INIZCTEOSA-N 0 3 283.415 4.471 10 0 CIAEHN N[C@@H](c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000035081416 171966510 /nfs/dbraw/zinc/96/65/10/171966510.db2.gz PODGSVUBIMKPFK-MRXNPFEDSA-N 0 3 257.402 4.065 10 0 CIAEHN COc1ccc(C)cc1CN[C@H](C)c1ccccc1C ZINC000035161986 172021862 /nfs/dbraw/zinc/02/18/62/172021862.db2.gz CEYIESVYWJKALC-OAHLLOKOSA-N 0 3 269.388 4.163 10 0 CIAEHN c1ccc2c(c1)CC[C@@H]2NCc1ccc2ncccc2c1 ZINC000035180492 172034424 /nfs/dbraw/zinc/03/44/24/172034424.db2.gz DWQXFGCNSFZIEZ-IBGZPJMESA-N 0 3 274.367 4.012 10 0 CIAEHN Cc1cc(N[C@@H](C)c2ccco2)c2ccccc2n1 ZINC000035206738 172050775 /nfs/dbraw/zinc/05/07/75/172050775.db2.gz OBXIHNPKCPZEGH-LBPRGKRZSA-N 0 3 252.317 4.309 10 0 CIAEHN CCC[C@@H](C)NCc1cc(Cl)ccc1OC(F)F ZINC000035223566 172068077 /nfs/dbraw/zinc/06/80/77/172068077.db2.gz RUCJFOQCGLGJHJ-SECBINFHSA-N 0 3 277.742 4.220 10 0 CIAEHN Cc1ccc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000035258053 172089371 /nfs/dbraw/zinc/08/93/71/172089371.db2.gz JHXNVGFBFFSTPU-KBPBESRZSA-N 0 3 271.326 4.206 10 0 CIAEHN Cc1cc([C@@H](N)c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000035382386 172165453 /nfs/dbraw/zinc/16/54/53/172165453.db2.gz AMGUEHBUZWXIHY-ZDUSSCGKSA-N 0 3 270.159 4.251 10 0 CIAEHN CC[C@@H](C)Oc1c2ccccc2ccc1[C@@H](C)NC ZINC000035427432 172194735 /nfs/dbraw/zinc/19/47/35/172194735.db2.gz CMRWICDFVNEBLY-CHWSQXEVSA-N 0 3 257.377 4.298 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035459263 172208454 /nfs/dbraw/zinc/20/84/54/172208454.db2.gz UABLFLSCSUQTHM-CYBMUJFWSA-N 0 3 251.782 4.019 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035459105 172208491 /nfs/dbraw/zinc/20/84/91/172208491.db2.gz CPLDUMVUVPSHEN-CYBMUJFWSA-N 0 3 269.772 4.158 10 0 CIAEHN CCc1ccc([C@H](NC)c2cccc(C)c2C)s1 ZINC000035461067 172210354 /nfs/dbraw/zinc/21/03/54/172210354.db2.gz KYSXLRXKVLOQHD-MRXNPFEDSA-N 0 3 259.418 4.236 10 0 CIAEHN CN[C@@H](c1ccc(Br)cc1)c1ccccc1C ZINC000035462944 172210562 /nfs/dbraw/zinc/21/05/62/172210562.db2.gz SDVBFQGGOHIICM-HNNXBMFYSA-N 0 3 290.204 4.066 10 0 CIAEHN 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Cc1ccc([C@H](N)c2ccccc2Br)cc1C ZINC000020587326 171259559 /nfs/dbraw/zinc/25/95/59/171259559.db2.gz RLVJSXRUEUPALR-HNNXBMFYSA-N 0 3 290.204 4.114 10 0 CIAEHN CC(C)[C@H](N)c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020593063 171262771 /nfs/dbraw/zinc/26/27/71/171262771.db2.gz RFWARQWKTDQBQA-NSHDSACASA-N 0 3 258.148 4.395 10 0 CIAEHN CC(C)Cc1ccc([C@@H](N)c2ccccc2F)cc1 ZINC000021033824 171292271 /nfs/dbraw/zinc/29/22/71/171292271.db2.gz QSYOAEPMFIJAPE-QGZVFWFLSA-N 0 3 257.352 4.072 10 0 CIAEHN Cc1ccc([C@H](N)c2ccc(C(C)(C)C)cc2)cc1 ZINC000021501760 171305643 /nfs/dbraw/zinc/30/56/43/171305643.db2.gz KFRFLPOAFWOCAZ-KRWDZBQOSA-N 0 3 253.389 4.341 10 0 CIAEHN Cc1ccc([C@H](N)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502740 171306225 /nfs/dbraw/zinc/30/62/25/171306225.db2.gz MXBBOJPTLPGHTR-MAUKXSAKSA-N 0 3 269.388 4.079 10 0 CIAEHN C[C@@H](Oc1ccc(C(C)(C)C)cc1)[C@@H](N)c1ccccc1 ZINC000021506240 171307904 /nfs/dbraw/zinc/30/79/04/171307904.db2.gz GKMKHYNDSBTXHS-RDTXWAMCSA-N 0 3 283.415 4.451 10 0 CIAEHN CC[C@@H]1CCCC[C@@H]1Oc1cccc(F)c1[C@@H](C)N ZINC000021508490 171308708 /nfs/dbraw/zinc/30/87/08/171308708.db2.gz SWUQOWOROQGPQP-BZPMIXESSA-N 0 3 265.372 4.193 10 0 CIAEHN Cc1ccc([C@@H](N)[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509108 171309367 /nfs/dbraw/zinc/30/93/67/171309367.db2.gz HQKBABJJHSJQTB-YJBOKZPZSA-N 0 3 269.388 4.079 10 0 CIAEHN CCc1cccc(Oc2ccc(F)cc2[C@@H](C)N)c1 ZINC000021511609 171310684 /nfs/dbraw/zinc/31/06/84/171310684.db2.gz NTKGEYRMGMGAJZ-LLVKDONJSA-N 0 3 259.324 4.200 10 0 CIAEHN CC(C)C[C@@H](C)OC[C@H](N)c1cccc2ccccc21 ZINC000021517052 171313390 /nfs/dbraw/zinc/31/33/90/171313390.db2.gz QGMAFIFROBDPRU-KDOFPFPSSA-N 0 3 271.404 4.291 10 0 CIAEHN CC(C)[C@H](Oc1ccc(F)cc1F)[C@@H](N)c1ccccc1 ZINC000021516834 171313440 /nfs/dbraw/zinc/31/34/40/171313440.db2.gz LYIJDWJRGXGOCG-IRXDYDNUSA-N 0 3 291.341 4.068 10 0 CIAEHN CC[C@@H](C)c1ccc([C@H](N)c2ccccc2F)cc1 ZINC000021517440 171313646 /nfs/dbraw/zinc/31/36/46/171313646.db2.gz WRLMWMGBBXWXNU-PXAZEXFGSA-N 0 3 257.352 4.387 10 0 CIAEHN CC[C@H](C)c1ccc([C@H](N)c2ccccc2F)cc1 ZINC000021517441 171313809 /nfs/dbraw/zinc/31/38/09/171313809.db2.gz WRLMWMGBBXWXNU-SJCJKPOMSA-N 0 3 257.352 4.387 10 0 CIAEHN Cc1ccc(O[C@H]2CCCc3ccccc3[C@H]2N)cc1C ZINC000021798371 171325034 /nfs/dbraw/zinc/32/50/34/171325034.db2.gz QSLTWZPWABMMBV-RBUKOAKNSA-N 0 3 281.399 4.087 10 0 CIAEHN N[C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000021806305 171327328 /nfs/dbraw/zinc/32/73/28/171327328.db2.gz NJGURCQFUJHPEI-KRWDZBQOSA-N 0 3 271.791 4.267 10 0 CIAEHN Cc1ccc([C@@H](N)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807410 171328009 /nfs/dbraw/zinc/32/80/09/171328009.db2.gz XUQOSVKTJAPRPI-YJBOKZPZSA-N 0 3 269.388 4.079 10 0 CIAEHN CC[C@H](C)c1ccc([C@H](N)c2cccc(F)c2)cc1 ZINC000021811914 171329408 /nfs/dbraw/zinc/32/94/08/171329408.db2.gz SXMMKIRRKWEDNJ-SJCJKPOMSA-N 0 3 257.352 4.387 10 0 CIAEHN Cc1ccccc1[C@H](N)COc1ccc2ccccc2c1 ZINC000021812339 171329757 /nfs/dbraw/zinc/32/97/57/171329757.db2.gz KHOIWQYQKDJPGF-LJQANCHMSA-N 0 3 277.367 4.227 10 0 CIAEHN C[C@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000021815856 171332027 /nfs/dbraw/zinc/33/20/27/171332027.db2.gz AWPWZWSHRGUVOQ-IUCAKERBSA-N 0 3 258.192 4.443 10 0 CIAEHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000021815859 171332058 /nfs/dbraw/zinc/33/20/58/171332058.db2.gz AWPWZWSHRGUVOQ-DTWKUNHWSA-N 0 3 258.192 4.443 10 0 CIAEHN CCCCc1ccc([C@@H](N)c2ccc(C)cc2)cc1 ZINC000021817056 171332862 /nfs/dbraw/zinc/33/28/62/171332862.db2.gz QETKDFIVYMYCNT-SFHVURJKSA-N 0 3 253.389 4.386 10 0 CIAEHN CC(C)Cc1ccc([C@@H](N)COC2CCCCC2)cc1 ZINC000021820142 171334481 /nfs/dbraw/zinc/33/44/81/171334481.db2.gz YFARCLHHHHWGOY-SFHVURJKSA-N 0 3 275.436 4.234 10 0 CIAEHN CC(C)CCOc1ccc(Cl)cc1CNC(C)C ZINC000034815454 171869447 /nfs/dbraw/zinc/86/94/47/171869447.db2.gz LWRCZTAGZKMCIJ-UHFFFAOYSA-N 0 3 269.816 4.263 10 0 CIAEHN CC(C)NCc1ccc(-c2ccccc2Br)o1 ZINC000035161716 172021397 /nfs/dbraw/zinc/02/13/97/172021397.db2.gz YVTAQOFFWFFVEU-UHFFFAOYSA-N 0 3 294.192 4.207 10 0 CIAEHN Cc1ccc(CN[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000035258054 172089479 /nfs/dbraw/zinc/08/94/79/172089479.db2.gz JHXNVGFBFFSTPU-ZIAGYGMSSA-N 0 3 271.326 4.206 10 0 CIAEHN Cc1ccc([C@@H](N)c2cc3c(s2)CCCC3)cc1C ZINC000035381740 172164511 /nfs/dbraw/zinc/16/45/11/172164511.db2.gz HAYMUWWPNSNECM-QGZVFWFLSA-N 0 3 271.429 4.292 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035459108 172208369 /nfs/dbraw/zinc/20/83/69/172208369.db2.gz CPLDUMVUVPSHEN-ZDUSSCGKSA-N 0 3 269.772 4.158 10 0 CIAEHN CN[C@@H](c1sccc1C)c1ccc2c(c1)CCCC2 ZINC000035459970 172209076 /nfs/dbraw/zinc/20/90/76/172209076.db2.gz FQHWDWJMASSUHA-MRXNPFEDSA-N 0 3 271.429 4.244 10 0 CIAEHN CCc1ccc([C@@H](NC)c2ccccc2Cl)s1 ZINC000035460636 172209593 /nfs/dbraw/zinc/20/95/93/172209593.db2.gz LATSFYRTBVVGCK-AWEZNQCLSA-N 0 3 265.809 4.273 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccc(OC)c(Cl)c1 ZINC000035461614 172210054 /nfs/dbraw/zinc/21/00/54/172210054.db2.gz PUOZFYBEQYPJRF-AWEZNQCLSA-N 0 3 281.808 4.027 10 0 CIAEHN CN[C@H](c1sccc1C)c1ccc(Br)cc1 ZINC000035462340 172210588 /nfs/dbraw/zinc/21/05/88/172210588.db2.gz IGLBMTFONNBEFZ-LBPRGKRZSA-N 0 3 296.233 4.128 10 0 CIAEHN CN[C@H](c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000035462986 172211097 /nfs/dbraw/zinc/21/10/97/172211097.db2.gz LJYMKOMDQBGCMF-OAHLLOKOSA-N 0 3 290.204 4.066 10 0 CIAEHN CN[C@@H](c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000035463511 172211361 /nfs/dbraw/zinc/21/13/61/172211361.db2.gz ITMXNNYUPQXPIT-MRXNPFEDSA-N 0 3 275.392 4.075 10 0 CIAEHN CCc1ccc([C@@H](NC)c2ccc(Cl)cc2)cc1 ZINC000035464280 172212402 /nfs/dbraw/zinc/21/24/02/172212402.db2.gz SSXMYQSOYWREBW-MRXNPFEDSA-N 0 3 259.780 4.211 10 0 CIAEHN CN[C@@H](c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000035488233 172222991 /nfs/dbraw/zinc/22/29/91/172222991.db2.gz OAJXMKHHTRXDCC-OAHLLOKOSA-N 0 3 259.418 4.354 10 0 CIAEHN CCCCc1ccc([C@H](NC)c2ccsc2)cc1 ZINC000035492801 172226435 /nfs/dbraw/zinc/22/64/35/172226435.db2.gz SZCBGTDSNMAKRC-INIZCTEOSA-N 0 3 259.418 4.400 10 0 CIAEHN CN[C@H](c1ccoc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493404 172227115 /nfs/dbraw/zinc/22/71/15/172227115.db2.gz PQIBXFYWKHQKSP-INIZCTEOSA-N 0 3 257.377 4.194 10 0 CIAEHN CCc1ccc([C@@H](NC)c2ccc(C)c(F)c2)cc1 ZINC000035495245 172228478 /nfs/dbraw/zinc/22/84/78/172228478.db2.gz HMAJVLCSSSAMFN-QGZVFWFLSA-N 0 3 257.352 4.005 10 0 CIAEHN CCCc1ccc([C@H](NC)c2cccc(C)c2)cc1 ZINC000035496299 172229535 /nfs/dbraw/zinc/22/95/35/172229535.db2.gz XCDPSRPUCJIVAB-SFHVURJKSA-N 0 3 253.389 4.256 10 0 CIAEHN CN[C@H](c1cc(C)sc1C)c1ccccc1Cl ZINC000035497480 172230702 /nfs/dbraw/zinc/23/07/02/172230702.db2.gz PVCIAVQAFLWGDL-AWEZNQCLSA-N 0 3 265.809 4.327 10 0 CIAEHN CN[C@@H](c1cc(C)sc1C)c1cc(Cl)ccc1OC ZINC000035497627 172231426 /nfs/dbraw/zinc/23/14/26/172231426.db2.gz BLNWHXLPYOIQHG-HNNXBMFYSA-N 0 3 295.835 4.336 10 0 CIAEHN CN[C@@H](c1cc(C)sc1C)c1ccc(C)cc1C ZINC000035497798 172231616 /nfs/dbraw/zinc/23/16/16/172231616.db2.gz ZDYALCDVDOZRGQ-MRXNPFEDSA-N 0 3 259.418 4.291 10 0 CIAEHN CN[C@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035498505 172231978 /nfs/dbraw/zinc/23/19/78/172231978.db2.gz ZQESVUXEFIWVNN-AWEZNQCLSA-N 0 3 265.809 4.327 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035498507 172232275 /nfs/dbraw/zinc/23/22/75/172232275.db2.gz ZQESVUXEFIWVNN-CQSZACIVSA-N 0 3 265.809 4.327 10 0 CIAEHN CN[C@H](c1ccoc1C)c1csc2ccccc12 ZINC000035499474 172232858 /nfs/dbraw/zinc/23/28/58/172232858.db2.gz VYNVVYZTHVNHNV-OAHLLOKOSA-N 0 3 257.358 4.112 10 0 CIAEHN CN[C@@H](c1csc2ccccc21)c1cccc(F)c1 ZINC000035499750 172233406 /nfs/dbraw/zinc/23/34/06/172233406.db2.gz XLZHGSYCDLTIFD-MRXNPFEDSA-N 0 3 271.360 4.349 10 0 CIAEHN CCCCC[C@@H](NC)c1cc(OC)c(OC)cc1Cl ZINC000035501227 172235586 /nfs/dbraw/zinc/23/55/86/172235586.db2.gz RWYSUIGSRZGXPO-CYBMUJFWSA-N 0 3 285.815 4.198 10 0 CIAEHN CN[C@@H](c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000035501995 172236248 /nfs/dbraw/zinc/23/62/48/172236248.db2.gz UXKMHZKKYWBGKN-CYBMUJFWSA-N 0 3 258.192 4.444 10 0 CIAEHN CN[C@@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000035502334 172237538 /nfs/dbraw/zinc/23/75/38/172237538.db2.gz ZWOQTJBXJFVPCZ-SECBINFHSA-N 0 3 250.194 4.116 10 0 CIAEHN CCN[C@@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035510016 172241828 /nfs/dbraw/zinc/24/18/28/172241828.db2.gz NNYWFAGRNCYGNL-CQSZACIVSA-N 0 3 265.809 4.409 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035537826 172244090 /nfs/dbraw/zinc/24/40/90/172244090.db2.gz VQIWPARCGRULKZ-INIZCTEOSA-N 0 3 259.418 4.318 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1cc(C)oc1C ZINC000035537293 172244264 /nfs/dbraw/zinc/24/42/64/172244264.db2.gz NXZMQDXFSSBTKY-HNNXBMFYSA-N 0 3 263.406 4.219 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1ccc(C)cc1 ZINC000035537981 172244457 /nfs/dbraw/zinc/24/44/57/172244457.db2.gz IWMCMWPDKAGQBA-INIZCTEOSA-N 0 3 259.418 4.318 10 0 CIAEHN CCN[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035538368 172244963 /nfs/dbraw/zinc/24/49/63/172244963.db2.gz VNHPVNXYVAUKJM-INIZCTEOSA-N 0 3 275.779 4.048 10 0 CIAEHN CCN[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000035540511 172246713 /nfs/dbraw/zinc/24/67/13/172246713.db2.gz GWONCNVXGXTSHP-HNNXBMFYSA-N 0 3 290.204 4.148 10 0 CIAEHN CCN[C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035540447 172246990 /nfs/dbraw/zinc/24/69/90/172246990.db2.gz APOCCAAOZNLWKM-ZDUSSCGKSA-N 0 3 296.233 4.210 10 0 CIAEHN CCN[C@@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035541126 172248117 /nfs/dbraw/zinc/24/81/17/172248117.db2.gz NORZPQQMODGCGB-INIZCTEOSA-N 0 3 259.780 4.347 10 0 CIAEHN CCN[C@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035541039 172248200 /nfs/dbraw/zinc/24/82/00/172248200.db2.gz GOHMFBPXDNHEHI-MRXNPFEDSA-N 0 3 277.770 4.486 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccccc1Cl ZINC000035545329 172253876 /nfs/dbraw/zinc/25/38/76/172253876.db2.gz CACIQQDXCHQTHH-CYBMUJFWSA-N 0 3 251.782 4.100 10 0 CIAEHN CCN[C@@H](CC(F)(F)F)c1c(C)cc(C)cc1C ZINC000035547951 172255589 /nfs/dbraw/zinc/25/55/89/172255589.db2.gz UTSJWEITCXLIJX-LBPRGKRZSA-N 0 3 259.315 4.215 10 0 CIAEHN CCN[C@@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000035547509 172255905 /nfs/dbraw/zinc/25/59/05/172255905.db2.gz ZJKVUCISBUKYGS-OAHLLOKOSA-N 0 3 253.336 4.196 10 0 CIAEHN CCCc1ccc([C@H](NCC)c2occc2C)cc1 ZINC000035550208 172257928 /nfs/dbraw/zinc/25/79/28/172257928.db2.gz FBGDGPUOKPWWSE-INIZCTEOSA-N 0 3 257.377 4.239 10 0 CIAEHN CCN[C@H](c1cc(C)sc1C)c1cccc(F)c1 ZINC000035552487 172259371 /nfs/dbraw/zinc/25/93/71/172259371.db2.gz PPTMBLYGVACCLA-HNNXBMFYSA-N 0 3 263.381 4.203 10 0 CIAEHN CCN[C@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035553614 172259852 /nfs/dbraw/zinc/25/98/52/172259852.db2.gz NJTIDOLYOHQZSA-AWEZNQCLSA-N 0 3 265.809 4.409 10 0 CIAEHN CCCCC[C@@H](NCC)c1cc(F)ccc1OC ZINC000035554440 172260990 /nfs/dbraw/zinc/26/09/90/172260990.db2.gz UBZHEGFNAZFDHU-CQSZACIVSA-N 0 3 253.361 4.065 10 0 CIAEHN CCCN[C@H](c1ccc(C)s1)c1cc(C)oc1C ZINC000035573028 172268948 /nfs/dbraw/zinc/26/89/48/172268948.db2.gz OBXAIBDFFRVSME-HNNXBMFYSA-N 0 3 263.406 4.355 10 0 CIAEHN CCCN[C@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035573840 172270738 /nfs/dbraw/zinc/27/07/38/172270738.db2.gz QEZLBIFDHHIUKT-HNNXBMFYSA-N 0 3 279.767 4.031 10 0 CIAEHN CCCN[C@@H](c1ccc(Br)o1)c1ccccc1 ZINC000035575598 172272209 /nfs/dbraw/zinc/27/22/09/172272209.db2.gz QXZUVKNXKROUAH-CQSZACIVSA-N 0 3 294.192 4.131 10 0 CIAEHN CCCN[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035575139 172272347 /nfs/dbraw/zinc/27/23/47/172272347.db2.gz MIAQJLOKIUBRSP-AWEZNQCLSA-N 0 3 265.809 4.491 10 0 CIAEHN CCCN[C@@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035577501 172273865 /nfs/dbraw/zinc/27/38/65/172273865.db2.gz SVQOJRUXNJWVRN-MRXNPFEDSA-N 0 3 275.417 4.236 10 0 CIAEHN CCCN[C@H](c1cccs1)c1cc(F)ccc1F ZINC000035580067 172275828 /nfs/dbraw/zinc/27/58/28/172275828.db2.gz ODYIDILRUFKYHH-AWEZNQCLSA-N 0 3 267.344 4.115 10 0 CIAEHN CCCN[C@@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035580901 172276233 /nfs/dbraw/zinc/27/62/33/172276233.db2.gz WEXNNXLHUYBKCE-ZDUSSCGKSA-N 0 3 259.315 4.191 10 0 CIAEHN CCCN[C@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035580903 172276543 /nfs/dbraw/zinc/27/65/43/172276543.db2.gz WEXNNXLHUYBKCE-CYBMUJFWSA-N 0 3 259.315 4.191 10 0 CIAEHN CCCN[C@H](c1cccs1)c1cccc(Cl)c1 ZINC000035581291 172276998 /nfs/dbraw/zinc/27/69/98/172276998.db2.gz LYJQMRMYNMJISK-AWEZNQCLSA-N 0 3 265.809 4.491 10 0 CIAEHN CCCN[C@@H](c1cccs1)c1ccc(F)cc1F ZINC000035581244 172277102 /nfs/dbraw/zinc/27/71/02/172277102.db2.gz SPGDMQKMIZUWTN-CQSZACIVSA-N 0 3 267.344 4.115 10 0 CIAEHN CCCN[C@@H](c1cccs1)c1ccc(C)c(F)c1 ZINC000035581268 172277566 /nfs/dbraw/zinc/27/75/66/172277566.db2.gz AQGLOMXHRRBBIX-OAHLLOKOSA-N 0 3 263.381 4.285 10 0 CIAEHN CCCN[C@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035582060 172279686 /nfs/dbraw/zinc/27/96/86/172279686.db2.gz MXMTYDZZNUOMIB-QGZVFWFLSA-N 0 3 257.377 4.294 10 0 CIAEHN CCCN[C@@H](CC(F)(F)F)c1ccc(CC)cc1 ZINC000035582682 172280390 /nfs/dbraw/zinc/28/03/90/172280390.db2.gz KHBHXMMHUPPXGA-ZDUSSCGKSA-N 0 3 259.315 4.242 10 0 CIAEHN CCCN[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035585187 172284439 /nfs/dbraw/zinc/28/44/39/172284439.db2.gz SFOHRNFEOMIIDA-ZIAGYGMSSA-N 0 3 288.218 4.213 10 0 CIAEHN CCCN[C@@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654227 172330454 /nfs/dbraw/zinc/33/04/54/172330454.db2.gz IMXAGWCHJAPFQX-LLVKDONJSA-N 0 3 274.191 4.207 10 0 CIAEHN CCCN[C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654176 172330909 /nfs/dbraw/zinc/33/09/09/172330909.db2.gz OFAGNRDOWVLPKF-LBPRGKRZSA-N 0 3 274.191 4.207 10 0 CIAEHN NCc1cc(C(F)(F)F)ccc1Sc1cccs1 ZINC000035719926 172374953 /nfs/dbraw/zinc/37/49/53/172374953.db2.gz JWIIGJZVBRAOMM-UHFFFAOYSA-N 0 3 289.347 4.377 10 0 CIAEHN CC[C@@H](C)Sc1ccc(CN)c(C(F)(F)F)c1 ZINC000035719948 172375203 /nfs/dbraw/zinc/37/52/03/172375203.db2.gz ZPXDVRPHIUXHPK-MRVPVSSYSA-N 0 3 263.328 4.055 10 0 CIAEHN Cc1csc(C[C@@H](N)c2ccc(Cl)c(Cl)c2)n1 ZINC000036281219 172572317 /nfs/dbraw/zinc/57/23/17/172572317.db2.gz QLTYEMYJQAGTCC-LLVKDONJSA-N 0 3 287.215 4.001 10 0 CIAEHN CCCCCN(C)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000037165193 172999181 /nfs/dbraw/zinc/99/91/81/172999181.db2.gz TVUOCKDQVGRNBT-CQSZACIVSA-N 0 3 289.250 4.115 10 0 CIAEHN CC(C)=CCN1CCC(Nc2ccc(Cl)cc2)CC1 ZINC000037202884 173026012 /nfs/dbraw/zinc/02/60/12/173026012.db2.gz GEKQQHXZXPUZFU-UHFFFAOYSA-N 0 3 278.827 4.183 10 0 CIAEHN C[C@@H](NCCc1ccccc1)c1ccc(F)cc1Cl ZINC000037202174 173026276 /nfs/dbraw/zinc/02/62/76/173026276.db2.gz ZCUJAPDTDUHSIN-GFCCVEGCSA-N 0 3 277.770 4.372 10 0 CIAEHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1cccs1 ZINC000037235379 173053076 /nfs/dbraw/zinc/05/30/76/173053076.db2.gz FRHAXJKJDPHOQX-RYUDHWBXSA-N 0 3 273.401 4.095 10 0 CIAEHN CCNCc1cc(F)ccc1Oc1ccc(C)cc1 ZINC000037237246 173055315 /nfs/dbraw/zinc/05/53/15/173055315.db2.gz GMMQNGONVSOSAF-UHFFFAOYSA-N 0 3 259.324 4.036 10 0 CIAEHN CCN[C@H](C[C@H](C)CC)c1nc2ccccc2s1 ZINC000037239638 173055891 /nfs/dbraw/zinc/05/58/91/173055891.db2.gz FJLWQWXNESDDDR-DGCLKSJQSA-N 0 3 262.422 4.383 10 0 CIAEHN CCN[C@@H](C[C@H](C)CC)c1nc2ccccc2s1 ZINC000037239634 173056362 /nfs/dbraw/zinc/05/63/62/173056362.db2.gz FJLWQWXNESDDDR-YPMHNXCESA-N 0 3 262.422 4.383 10 0 CIAEHN C[C@@H]1CCC[C@@H](NCc2ccc(F)cc2Cl)C1 ZINC000037255639 173067000 /nfs/dbraw/zinc/06/70/00/173067000.db2.gz QRCCAYAARKMYJH-ZWNOBZJWSA-N 0 3 255.764 4.147 10 0 CIAEHN Cc1nc2ccc(N[C@H](C)C3CCCCC3)cc2[nH]1 ZINC000037318344 173118499 /nfs/dbraw/zinc/11/84/99/173118499.db2.gz VWMABWJVJFXNOS-LLVKDONJSA-N 0 3 257.381 4.252 10 0 CIAEHN N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000037377592 173165962 /nfs/dbraw/zinc/16/59/62/173165962.db2.gz HPARAYAXNWXHFN-ZDUSSCGKSA-N 0 3 270.134 4.181 10 0 CIAEHN CC(C)C[C@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440623 173210504 /nfs/dbraw/zinc/21/05/04/173210504.db2.gz IKAUIXOBCKFFFV-LBPRGKRZSA-N 0 3 279.815 4.317 10 0 CIAEHN CC[C@@H](C)[C@@H](N)c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440826 173210513 /nfs/dbraw/zinc/21/05/13/173210513.db2.gz JEUXBOBOVGBYLO-YMTOWFKASA-N 0 3 277.799 4.071 10 0 CIAEHN CSCC[C@H](N)c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440681 173210640 /nfs/dbraw/zinc/21/06/40/173210640.db2.gz HUKAQLTUAFOFLX-NSHDSACASA-N 0 3 297.855 4.024 10 0 CIAEHN Cc1cc(C)cc([C@@H](N)c2cccc(Br)c2)c1 ZINC000037746131 173668123 /nfs/dbraw/zinc/66/81/23/173668123.db2.gz NQYBMPLJDJOGNA-HNNXBMFYSA-N 0 3 290.204 4.114 10 0 CIAEHN CCCC[C@@H](CC)[C@@H](N)c1c(F)cc(OC)cc1F ZINC000037903290 173833941 /nfs/dbraw/zinc/83/39/41/173833941.db2.gz NKZQCAKNLVCUSG-MEBBXXQBSA-N 0 3 271.351 4.190 10 0 CIAEHN CCn1c2ccc(Cl)cc2nc1[C@@H](N)C1CCCCC1 ZINC000038036807 174036528 /nfs/dbraw/zinc/03/65/28/174036528.db2.gz UMYNWUVWUKDHTN-HNNXBMFYSA-N 0 3 291.826 4.290 10 0 CIAEHN CCCn1c2cccc(F)c2nc1[C@H](N)C1CCCCC1 ZINC000038036846 174036824 /nfs/dbraw/zinc/03/68/24/174036824.db2.gz HDZLHWBGKFAJBK-OAHLLOKOSA-N 0 3 289.398 4.166 10 0 CIAEHN CCNCc1cc(-c2ccc(Cl)cc2)ccc1OC ZINC000038069997 174080843 /nfs/dbraw/zinc/08/08/43/174080843.db2.gz NIKPUMKDZXYXEJ-UHFFFAOYSA-N 0 3 275.779 4.125 10 0 CIAEHN NCc1ccc(-c2cccc(Cl)c2Cl)cc1F ZINC000038070185 174080987 /nfs/dbraw/zinc/08/09/87/174080987.db2.gz WZJUXMLFDHKTQI-UHFFFAOYSA-N 0 3 270.134 4.258 10 0 CIAEHN Cc1ccccc1-c1ccc(CNC2CC2)c(F)c1 ZINC000038070721 174081582 /nfs/dbraw/zinc/08/15/82/174081582.db2.gz ORLSKEMOKKKBNZ-UHFFFAOYSA-N 0 3 255.336 4.053 10 0 CIAEHN NCc1ccc(-c2ccc3ccccc3c2)cc1F ZINC000038071116 174082293 /nfs/dbraw/zinc/08/22/93/174082293.db2.gz TYYPNESFBPTJKI-UHFFFAOYSA-N 0 3 251.304 4.105 10 0 CIAEHN CCNCc1cc(-c2cc(C)ccc2C)ccc1F ZINC000038072091 174082822 /nfs/dbraw/zinc/08/28/22/174082822.db2.gz JFQGZHSALHWXKQ-UHFFFAOYSA-N 0 3 257.352 4.219 10 0 CIAEHN CCN[C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000038078568 174088622 /nfs/dbraw/zinc/08/86/22/174088622.db2.gz AJOPSTZUXQWZRE-MRXNPFEDSA-N 0 3 277.770 4.372 10 0 CIAEHN CCCN[C@H](c1ccsc1)c1ccccc1Cl ZINC000038078558 174088742 /nfs/dbraw/zinc/08/87/42/174088742.db2.gz WYWGXAOMOVOKOJ-CQSZACIVSA-N 0 3 265.809 4.491 10 0 CIAEHN CN[C@H](Cc1c(F)cccc1Cl)c1ccsc1 ZINC000038131676 174132095 /nfs/dbraw/zinc/13/20/95/174132095.db2.gz LFNWIXUEOSNWRC-CYBMUJFWSA-N 0 3 269.772 4.044 10 0 CIAEHN N[C@@H]1CN(Cc2cccc(Cl)c2)c2ccc(Cl)cc21 ZINC000039941591 174175584 /nfs/dbraw/zinc/17/55/84/174175584.db2.gz ZSBQRCYKRRXCAG-CQSZACIVSA-N 0 3 293.197 4.013 10 0 CIAEHN CCCC[C@@H](N)c1nc2ccccc2n1[C@@H](C)CC ZINC000040163848 174197132 /nfs/dbraw/zinc/19/71/32/174197132.db2.gz NFSFEVJBPYKTJV-QWHCGFSZSA-N 0 3 259.397 4.197 10 0 CIAEHN CCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2NCC ZINC000043460389 175051072 /nfs/dbraw/zinc/05/10/72/175051072.db2.gz IDEVKPQEEGLNTH-OAHLLOKOSA-N 0 3 277.408 4.077 10 0 CIAEHN Brc1ccsc1CNCC1CCCCC1 ZINC000043674884 175088542 /nfs/dbraw/zinc/08/85/42/175088542.db2.gz YDCSNCQHDMNEDM-UHFFFAOYSA-N 0 3 288.254 4.181 10 0 CIAEHN CC(C)N(CC1CC1)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000044415164 175172954 /nfs/dbraw/zinc/17/29/54/175172954.db2.gz CISNAKKZJCIDSL-LBPRGKRZSA-N 0 3 279.811 4.032 10 0 CIAEHN CCN[C@@H](c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000044568987 175208805 /nfs/dbraw/zinc/20/88/05/175208805.db2.gz AQEUCVSBKLAUMC-INIZCTEOSA-N 0 3 277.770 4.486 10 0 CIAEHN CCN[C@H](c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000044568990 175208962 /nfs/dbraw/zinc/20/89/62/175208962.db2.gz AQEUCVSBKLAUMC-MRXNPFEDSA-N 0 3 277.770 4.486 10 0 CIAEHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(F)cc1Cl ZINC000071206607 176080441 /nfs/dbraw/zinc/08/04/41/176080441.db2.gz ADUYXAYVKAWCEP-BHDSKKPTSA-N 0 3 255.764 4.318 10 0 CIAEHN C[C@H](N[C@H]1CCC[C@H]1C)c1ccc(F)cc1Cl ZINC000071206606 176080573 /nfs/dbraw/zinc/08/05/73/176080573.db2.gz ADUYXAYVKAWCEP-BFVZDQMLSA-N 0 3 255.764 4.318 10 0 CIAEHN CCNCc1oc2c(ccc(C)c2C)c1C(C)(C)C ZINC000077070232 177185517 /nfs/dbraw/zinc/18/55/17/177185517.db2.gz LTHFQLQBDSBQPW-UHFFFAOYSA-N 0 3 259.393 4.457 10 0 CIAEHN Cc1cc2c(oc(CNC3CC3)c2C(C)C)c(C)c1 ZINC000077070914 177186483 /nfs/dbraw/zinc/18/64/83/177186483.db2.gz VKNDQJAGYSRJHL-UHFFFAOYSA-N 0 3 257.377 4.425 10 0 CIAEHN CCc1c2cc(-c3ccccc3)ccc2oc1CNC ZINC000077071943 177188213 /nfs/dbraw/zinc/18/82/13/177188213.db2.gz AATOGQSCYYOKRZ-UHFFFAOYSA-N 0 3 265.356 4.382 10 0 CIAEHN CCCc1c2ccc3ccccc3c2oc1CNC ZINC000077072198 177188596 /nfs/dbraw/zinc/18/85/96/177188596.db2.gz FNOGGTKFOJATPC-UHFFFAOYSA-N 0 3 253.345 4.258 10 0 CIAEHN CCCOc1ccc([C@@H](N)c2c(C)oc(C)c2C)cc1 ZINC000077088663 177212309 /nfs/dbraw/zinc/21/23/09/177212309.db2.gz BASLCYSWSMXRGT-QGZVFWFLSA-N 0 3 273.376 4.042 10 0 CIAEHN Cc1oc(C)c([C@H](N)c2ccc(Br)cc2)c1C ZINC000077088656 177212425 /nfs/dbraw/zinc/21/24/25/177212425.db2.gz QWDOEQYTGYTBOM-CQSZACIVSA-N 0 3 294.192 4.015 10 0 CIAEHN CCOc1ccc2nc(Nc3ccc(C)cc3)[nH]c2c1 ZINC000026474175 260131031 /nfs/dbraw/zinc/13/10/31/260131031.db2.gz TVNBBVJASKZYSY-UHFFFAOYSA-N 0 3 267.332 4.014 10 0 CIAEHN CCCn1ccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000091011845 260264721 /nfs/dbraw/zinc/26/47/21/260264721.db2.gz HFXQAHVLQPWPSO-INIZCTEOSA-N 0 3 286.444 4.225 10 0 CIAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccs1)CCC2 ZINC000092383438 260270246 /nfs/dbraw/zinc/27/02/46/260270246.db2.gz LFXDKDOLAUCCFL-BLLLJJGKSA-N 0 3 287.428 4.485 10 0 CIAEHN Cc1cncc([C@H](C)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000184252512 262014240 /nfs/dbraw/zinc/01/42/40/262014240.db2.gz SSDRILZUDSIFGP-STQMWFEESA-N 0 3 274.795 4.455 10 0 CIAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1cccc(F)c1 ZINC000390589049 262223376 /nfs/dbraw/zinc/22/33/76/262223376.db2.gz OFKHNUDROAHBJF-HUUCEWRRSA-N 0 3 287.378 4.082 10 0 CIAEHN C[C@H](COCc1ccccc1)N[C@H](C)c1ccccc1F ZINC000390588092 262223429 /nfs/dbraw/zinc/22/34/29/262223429.db2.gz NOQNWNBAKWOHSJ-HUUCEWRRSA-N 0 3 287.378 4.082 10 0 CIAEHN CC(C)COCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000020147297 262231989 /nfs/dbraw/zinc/23/19/89/262231989.db2.gz JUDJYDFHPCNORM-GOSISDBHSA-N 0 3 287.403 4.021 10 0 CIAEHN CCC[C@@H]1C[C@@H]1N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000222164856 262327323 /nfs/dbraw/zinc/32/73/23/262327323.db2.gz YSAKWAOZIBMWFT-JULQROHOSA-N 0 3 267.463 4.452 10 0 CIAEHN C[C@@H](NCc1cccc(C2CC2)c1)c1cccs1 ZINC000094518138 265247315 /nfs/dbraw/zinc/24/73/15/265247315.db2.gz JIVADSLSJFJJPG-GFCCVEGCSA-N 0 3 257.402 4.476 10 0 CIAEHN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccs1 ZINC000094826306 265259592 /nfs/dbraw/zinc/25/95/92/265259592.db2.gz XXRSWVQHPRESPJ-VHSXEESVSA-N 0 3 267.344 4.438 10 0 CIAEHN Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc32)cc1F ZINC000094836712 265261349 /nfs/dbraw/zinc/26/13/49/265261349.db2.gz GEAGZAJDDKKGNM-SCLBCKFNSA-N 0 3 269.363 4.472 10 0 CIAEHN Cc1ccc([C@@H](C)N[C@H]2CCc3ccccc32)cc1F ZINC000094836713 265261406 /nfs/dbraw/zinc/26/14/06/265261406.db2.gz GEAGZAJDDKKGNM-ACJLOTCBSA-N 0 3 269.363 4.472 10 0 CIAEHN CCOc1cccc(CN[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000094837437 265263529 /nfs/dbraw/zinc/26/35/29/265263529.db2.gz WVYNBEYWLKTOCE-AWEZNQCLSA-N 0 3 287.378 4.384 10 0 CIAEHN COc1ccc([C@@H](NCc2cscc2C)C2CC2)cc1 ZINC000094877729 265268714 /nfs/dbraw/zinc/26/87/14/265268714.db2.gz QKBBXTQRRGNWSU-KRWDZBQOSA-N 0 3 287.428 4.306 10 0 CIAEHN CCOc1ccc(CN2CCC[C@H]2c2ccco2)cc1 ZINC000116404610 267151827 /nfs/dbraw/zinc/15/18/27/267151827.db2.gz UKEXZLTZCIAFCZ-INIZCTEOSA-N 0 3 271.360 4.015 10 0 CIAEHN CCCOc1ccc([C@H](C)NCc2ccncc2C)cc1 ZINC000228661247 267256544 /nfs/dbraw/zinc/25/65/44/267256544.db2.gz DXCXSFANRYFMQS-HNNXBMFYSA-N 0 3 284.403 4.030 10 0 CIAEHN C[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc(CO)c1 ZINC000183313790 327818779 /nfs/dbraw/zinc/81/87/79/327818779.db2.gz MNQJPQRHOBEKBP-SIFCLUCFSA-N 0 3 295.426 4.468 10 0 CIAEHN CCc1ccc(-c2csc(C3(N)CCCC3)n2)cc1 ZINC000041164107 328028877 /nfs/dbraw/zinc/02/88/77/328028877.db2.gz ZEDMSTDYHIAXPK-UHFFFAOYSA-N 0 3 272.417 4.101 10 0 CIAEHN Cc1cccc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000062257569 326792056 /nfs/dbraw/zinc/79/20/56/326792056.db2.gz XTVKIHTZKUIADI-KRWDZBQOSA-N 0 3 271.791 4.426 10 0 CIAEHN Cc1ccc([C@H](C)NC2CC(c3ccccc3F)C2)o1 ZINC000036960509 326901451 /nfs/dbraw/zinc/90/14/51/326901451.db2.gz NQNWSDKAWLMTLG-HSBZDZAISA-N 0 3 273.351 4.324 10 0 CIAEHN CNCc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000053294086 326935563 /nfs/dbraw/zinc/93/55/63/326935563.db2.gz XCTPQMPIMQAJOP-UHFFFAOYSA-N 0 3 292.407 4.101 10 0 CIAEHN CCCn1ccc(CN[C@H](CC)c2cccs2)c1 ZINC000091012902 327165241 /nfs/dbraw/zinc/16/52/41/327165241.db2.gz GRRFQWARBWHSQQ-CQSZACIVSA-N 0 3 262.422 4.201 10 0 CIAEHN CCCn1ccc(CN[C@@H](c2ccccc2)C(C)C)c1 ZINC000091010656 327165282 /nfs/dbraw/zinc/16/52/82/327165282.db2.gz QPZIXCROZCZRAM-GOSISDBHSA-N 0 3 270.420 4.385 10 0 CIAEHN CCCn1ccc(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000091011322 327165378 /nfs/dbraw/zinc/16/53/78/327165378.db2.gz UDLZYDXXSZXNJU-CQSZACIVSA-N 0 3 282.387 4.495 10 0 CIAEHN C[C@@H](N[C@H](C)C1CCCC1)c1cc(F)ccc1F ZINC000054078506 328687114 /nfs/dbraw/zinc/68/71/14/328687114.db2.gz FJVIKXWJGRXUDL-GHMZBOCLSA-N 0 3 253.336 4.194 10 0 CIAEHN CCc1ccc([C@H](C)NCc2cc(C)ccc2OC)cc1 ZINC000035009856 328844160 /nfs/dbraw/zinc/84/41/60/328844160.db2.gz BGARYJUYOGQPRE-HNNXBMFYSA-N 0 3 283.415 4.417 10 0 CIAEHN CC[C@H](N[C@H]1CCO[C@H]1C)c1ccc(Cl)cc1Cl ZINC000251313983 329928580 /nfs/dbraw/zinc/92/85/80/329928580.db2.gz VSSSUMBKNBTSDN-HERUPUMHSA-N 0 3 288.218 4.212 10 0 CIAEHN Cc1cc(C)c(CN[C@@H]2CCc3ccccc32)cc1C ZINC000035047652 330242392 /nfs/dbraw/zinc/24/23/92/330242392.db2.gz DEBYCBVPUAEMLT-LJQANCHMSA-N 0 3 265.400 4.389 10 0 CIAEHN CCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789716 330251039 /nfs/dbraw/zinc/25/10/39/330251039.db2.gz DGSXMQUPEUASKO-SSDOTTSWSA-N 0 3 250.144 4.193 10 0 CIAEHN CCOc1ccccc1[C@H](C)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044674357 330331530 /nfs/dbraw/zinc/33/15/30/330331530.db2.gz JDSMEGGBSBZMPN-BMGDILEWSA-N 0 3 281.399 4.292 10 0 CIAEHN COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044674380 330331560 /nfs/dbraw/zinc/33/15/60/330331560.db2.gz BRCWWWPUMRLLTL-QGTPRVQTSA-N 0 3 281.399 4.210 10 0 CIAEHN C[C@@H](N[C@@H](C)c1cc(Br)ccc1F)C1CC1 ZINC000149396950 330574130 /nfs/dbraw/zinc/57/41/30/330574130.db2.gz RLXCDQPZOPYRNP-BDAKNGLRSA-N 0 3 286.188 4.037 10 0 CIAEHN C[C@H]1C[C@H]1NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167749869 331308496 /nfs/dbraw/zinc/30/84/96/331308496.db2.gz KFMSAMDYZOAPSW-WRWORJQWSA-N 0 3 297.242 4.222 10 0 CIAEHN Cc1nc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cs1 ZINC000252408910 334379117 /nfs/dbraw/zinc/37/91/17/334379117.db2.gz JLTDOBOWNHOHQN-BYCMXARLSA-N 0 3 266.454 4.002 10 0 CIAEHN COc1cccc([C@@H](C)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175525413 333026162 /nfs/dbraw/zinc/02/61/62/333026162.db2.gz RRUJJXKJNCKNEJ-YPMHNXCESA-N 0 3 287.325 4.031 10 0 CIAEHN Cc1cnc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1 ZINC000224189272 333217619 /nfs/dbraw/zinc/21/76/19/333217619.db2.gz GDWJBKYFYMZPQD-IACUBPJLSA-N 0 3 266.454 4.002 10 0 CIAEHN C[C@@H](NCc1cnc(-c2ccco2)s1)c1cccs1 ZINC000192979397 333240840 /nfs/dbraw/zinc/24/08/40/333240840.db2.gz NPWXYINCTPWLQW-SNVBAGLBSA-N 0 3 290.413 4.315 10 0 CIAEHN c1csc([C@@H]2CCCCN2CC2CCCCC2)n1 ZINC000195364537 333251267 /nfs/dbraw/zinc/25/12/67/333251267.db2.gz XARJXDGTGNBICQ-AWEZNQCLSA-N 0 3 264.438 4.250 10 0 CIAEHN Cc1ccccc1[C@@H](N[C@@H]1CCSC1)c1ccccc1 ZINC000226619504 333266183 /nfs/dbraw/zinc/26/61/83/333266183.db2.gz PSKZWPPETCIISV-AEFFLSMTSA-N 0 3 283.440 4.180 10 0 CIAEHN COc1ccccc1[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000037217590 333515960 /nfs/dbraw/zinc/51/59/60/333515960.db2.gz IKGUTEDNWFXOEB-GJZGRUSLSA-N 0 3 269.388 4.415 10 0 CIAEHN CCCOc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000037996796 333544058 /nfs/dbraw/zinc/54/40/58/333544058.db2.gz BWULBKURECOCER-LJQANCHMSA-N 0 3 281.399 4.253 10 0 CIAEHN Cc1nc([C@@H]2CCCN2C[C@H](C)c2ccccc2)cs1 ZINC000249446279 334334195 /nfs/dbraw/zinc/33/41/95/334334195.db2.gz LDAUEGWUFSNDGD-GUYCJALGSA-N 0 3 286.444 4.392 10 0 CIAEHN COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@H]1c1ccccc1 ZINC000251138325 334357216 /nfs/dbraw/zinc/35/72/16/334357216.db2.gz BRCWWWPUMRLLTL-WBAXXEDZSA-N 0 3 281.399 4.210 10 0 CIAEHN CC(C)[C@@H](NCCc1nccs1)c1ccccc1Cl ZINC000180075099 335548086 /nfs/dbraw/zinc/54/80/86/335548086.db2.gz TWEYCINYWJHJHB-OAHLLOKOSA-N 0 3 294.851 4.326 10 0 CIAEHN CSc1ccc(CN[C@@H](C)c2cccs2)s1 ZINC000381369443 336060529 /nfs/dbraw/zinc/06/05/29/336060529.db2.gz HWLBCOHHYBVICM-VIFPVBQESA-N 0 3 269.460 4.382 10 0 CIAEHN CC[C@H](N[C@@H]1CCOc2ccccc21)c1ccsc1 ZINC000382165702 336083478 /nfs/dbraw/zinc/08/34/78/336083478.db2.gz VFRIRXZHWZXEME-LSDHHAIUSA-N 0 3 273.401 4.313 10 0 CIAEHN CCCCOc1cc(F)ccc1[C@@H](C)NCCC ZINC000062747418 520849093 /nfs/dbraw/zinc/84/90/93/520849093.db2.gz RECXGCVAHQPVMX-GFCCVEGCSA-N 0 3 253.361 4.065 10 0 CIAEHN CCC(C)(C)OCc1c2ccccc2sc1CN ZINC000052630562 521358342 /nfs/dbraw/zinc/35/83/42/521358342.db2.gz CLNBPYOBUBYASA-UHFFFAOYSA-N 0 3 263.406 4.065 10 0 CIAEHN CC(C)C[C@@H]1CSC(N[C@@H](C)C2CCCCC2)=N1 ZINC000052341608 519277755 /nfs/dbraw/zinc/27/77/55/519277755.db2.gz DCCJUTTZHMIMNQ-GXTWGEPZSA-N 0 3 268.470 4.062 10 0 CIAEHN CC(C)CCOc1ccc([C@@H](C)NCc2cc[nH]c2)cc1 ZINC000086252397 519675418 /nfs/dbraw/zinc/67/54/18/519675418.db2.gz PZEDVESXJNSWDA-OAHLLOKOSA-N 0 3 286.419 4.290 10 0 CIAEHN CC(C)C[C@@H](C)OCc1c2ccccc2sc1CN ZINC000052603574 519774186 /nfs/dbraw/zinc/77/41/86/519774186.db2.gz QEJVXFVZNSKHNB-GFCCVEGCSA-N 0 3 277.433 4.311 10 0 CIAEHN CC(C)c1ccc2c(c1)CN[C@H](c1ccccc1)C2 ZINC000054684643 519840493 /nfs/dbraw/zinc/84/04/93/519840493.db2.gz HECPYAJNKPWZID-SFHVURJKSA-N 0 3 251.373 4.197 10 0 CIAEHN CC(C)c1cccc(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)c1 ZINC000236792275 519842205 /nfs/dbraw/zinc/84/22/05/519842205.db2.gz UELCLXKQVPNCDW-KSSFIOAISA-N 0 3 296.414 4.085 10 0 CIAEHN CCCN[C@@H](COCCC)c1cccc(Cl)c1Cl ZINC000055227710 520009146 /nfs/dbraw/zinc/00/91/46/520009146.db2.gz QERVXMAZIIKGNR-ZDUSSCGKSA-N 0 3 290.234 4.461 10 0 CIAEHN CCCCCCOc1cc(F)ccc1[C@H](C)NC ZINC000062746517 520103816 /nfs/dbraw/zinc/10/38/16/520103816.db2.gz LTGLHEOISCVIQK-LBPRGKRZSA-N 0 3 253.361 4.065 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCO1 ZINC000050962243 520110435 /nfs/dbraw/zinc/11/04/35/520110435.db2.gz VEHMWSBQAPTWRZ-KBPBESRZSA-N 0 3 288.218 4.213 10 0 CIAEHN CCN[C@@H](c1ccco1)[C@@H]1CCCc2ccccc21 ZINC000054668883 520114824 /nfs/dbraw/zinc/11/48/24/520114824.db2.gz XSWDJECZTILEOD-NVXWUHKLSA-N 0 3 255.361 4.050 10 0 CIAEHN CCN[C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892157 520207475 /nfs/dbraw/zinc/20/74/75/520207475.db2.gz RGLDUMXEICXRTA-HNNXBMFYSA-N 0 3 293.819 4.035 10 0 CIAEHN CCCOc1ccc([C@H](NCC)c2ccsc2)cc1 ZINC000055263726 520430760 /nfs/dbraw/zinc/43/07/60/520430760.db2.gz BLHSIOHBLZEITN-INIZCTEOSA-N 0 3 275.417 4.236 10 0 CIAEHN CCCc1ccc([C@@H](N)c2ccc(F)c(C)c2)cc1 ZINC000055242069 521414361 /nfs/dbraw/zinc/41/43/61/521414361.db2.gz WNEXVOBXNSFGLT-QGZVFWFLSA-N 0 3 257.352 4.135 10 0 CIAEHN CN[C@@H](C)c1ccc(-c2ccc3ccccc3c2)o1 ZINC000052924175 522329915 /nfs/dbraw/zinc/32/99/15/522329915.db2.gz OMGGDVOPLVXIKP-LBPRGKRZSA-N 0 3 251.329 4.380 10 0 CIAEHN CN[C@@H](C)c1cnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000054160056 522337987 /nfs/dbraw/zinc/33/79/87/522337987.db2.gz PLTJZEVUZXHFBE-ZETCQYMHSA-N 0 3 287.215 4.397 10 0 CIAEHN CN[C@@H](c1ccc(Cl)cc1F)C1CCCCC1 ZINC000062786202 522366867 /nfs/dbraw/zinc/36/68/67/522366867.db2.gz CRXFRXUFKWUCTJ-CQSZACIVSA-N 0 3 255.764 4.320 10 0 CIAEHN CN[C@@H](c1cccc(C)c1)c1ccc(F)c(Cl)c1 ZINC000062792325 522372902 /nfs/dbraw/zinc/37/29/02/522372902.db2.gz DUYBVCSBXILVCJ-HNNXBMFYSA-N 0 3 263.743 4.096 10 0 CIAEHN 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C[C@H](NC1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000037092605 525290828 /nfs/dbraw/zinc/29/08/28/525290828.db2.gz MGUQGEYWWQDCIJ-WHXUTIOJSA-N 0 3 261.287 4.051 10 0 CIAEHN C[C@H](N[C@H]1C[C@H]1C)c1cc2cc(Br)ccc2o1 ZINC000052270564 525639746 /nfs/dbraw/zinc/63/97/46/525639746.db2.gz ZVVDVPRUUXOVFA-PTRXPTGYSA-N 0 3 294.192 4.254 10 0 CIAEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151672356 525663312 /nfs/dbraw/zinc/66/33/12/525663312.db2.gz RTMFICJNRCPYIH-ZIAGYGMSSA-N 0 3 297.427 4.346 10 0 CIAEHN C[C@@H](c1cccs1)N(C)c1ccc(Cl)cc1CN ZINC000052857262 526145288 /nfs/dbraw/zinc/14/52/88/526145288.db2.gz DPAAZVRRGGTOLI-JTQLQIEISA-N 0 3 280.824 4.058 10 0 CIAEHN NCc1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC000052858477 527249034 /nfs/dbraw/zinc/24/90/34/527249034.db2.gz YDMWDJVHYCBQCL-UHFFFAOYSA-N 0 3 268.143 4.244 10 0 CIAEHN Cc1ncc(CN[C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000040437458 527279177 /nfs/dbraw/zinc/27/91/77/527279177.db2.gz JCVVIHZPTLYWOV-HNNXBMFYSA-N 0 3 292.835 4.346 10 0 CIAEHN N[C@@H](CCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000055204866 527331453 /nfs/dbraw/zinc/33/14/53/527331453.db2.gz FWEJXJWLFOVSJJ-AWEZNQCLSA-N 0 3 296.197 4.462 10 0 CIAEHN N[C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052944429 527336800 /nfs/dbraw/zinc/33/68/00/527336800.db2.gz JXBVVVVURYRDNP-JTQLQIEISA-N 0 3 272.200 4.297 10 0 CIAEHN N[C@H](c1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000061617772 527391035 /nfs/dbraw/zinc/39/10/35/527391035.db2.gz ZQIVJGJRCWTSBB-CYBMUJFWSA-N 0 3 263.793 4.133 10 0 CIAEHN CCC[C@H](N)c1cc2cc(C)cc(Br)c2o1 ZINC000083821410 567028341 /nfs/dbraw/zinc/02/83/41/567028341.db2.gz ROVRYUONZNEBBO-NSHDSACASA-N 0 3 282.181 4.304 10 0 CIAEHN CCCCN1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000226250915 567039218 /nfs/dbraw/zinc/03/92/18/567039218.db2.gz YHJJJGGDSFMICI-UHFFFAOYSA-N 0 3 284.403 4.334 10 0 CIAEHN CC(C)C[C@H](N)c1cc2cccc(Br)c2o1 ZINC000158999115 567143911 /nfs/dbraw/zinc/14/39/11/567143911.db2.gz BPFYNEGTURFAPC-NSHDSACASA-N 0 3 282.181 4.241 10 0 CIAEHN N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000019803988 567879353 /nfs/dbraw/zinc/87/93/53/567879353.db2.gz ZKHCPOYHQPXWMC-ZDUSSCGKSA-N 0 3 252.144 4.042 10 0 CIAEHN CCCN1CC=C(c2nc3ccc(C)cc3s2)CC1 ZINC000073638464 567893418 /nfs/dbraw/zinc/89/34/18/567893418.db2.gz DYLVGAVCXSJSDX-UHFFFAOYSA-N 0 3 272.417 4.104 10 0 CIAEHN c1ccc([C@@H]2CN(CC3CC3)Cc3ccccc3O2)cc1 ZINC000012132165 567945666 /nfs/dbraw/zinc/94/56/66/567945666.db2.gz VIKDLBDNQGDXMM-IBGZPJMESA-N 0 3 279.383 4.032 10 0 CIAEHN CC[C@@H](C)[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000304290756 570238144 /nfs/dbraw/zinc/23/81/44/570238144.db2.gz GXVRNWQSSYEZJC-OQPBUACISA-N 0 3 282.181 4.241 10 0 CIAEHN CCCc1nc(Cc2ccc(Cl)cc2)sc1CNC ZINC000082426949 178002158 /nfs/dbraw/zinc/00/21/58/178002158.db2.gz DURGSBZUNIJTHU-UHFFFAOYSA-N 0 3 294.851 4.059 10 0 CIAEHN CCCc1nc(-c2ccccc2)sc1CNC1CC1 ZINC000082426743 178002371 /nfs/dbraw/zinc/00/23/71/178002371.db2.gz XRSKTDJXASYQMG-UHFFFAOYSA-N 0 3 272.417 4.015 10 0 CIAEHN CCCNCc1sc(CSCCC)nc1CCC ZINC000082427861 178003318 /nfs/dbraw/zinc/00/33/18/178003318.db2.gz DJXNZIFRXYSAJW-UHFFFAOYSA-N 0 3 286.510 4.238 10 0 CIAEHN CCCc1nc(C2CCCCC2)sc1CNCC ZINC000082428150 178003855 /nfs/dbraw/zinc/00/38/55/178003855.db2.gz QSHLXFWYFIMWCJ-UHFFFAOYSA-N 0 3 266.454 4.253 10 0 CIAEHN CCN[C@@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505661 178069923 /nfs/dbraw/zinc/06/99/23/178069923.db2.gz LBXSUISDZHTXGW-LLVKDONJSA-N 0 3 274.191 4.205 10 0 CIAEHN C[C@H](NCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000083251088 178369536 /nfs/dbraw/zinc/36/95/36/178369536.db2.gz WDZTUABOAFEKIO-ZDUSSCGKSA-N 0 3 250.345 4.019 10 0 CIAEHN C[C@@H](NCc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000083251090 178369691 /nfs/dbraw/zinc/36/96/91/178369691.db2.gz WDZTUABOAFEKIO-CYBMUJFWSA-N 0 3 250.345 4.019 10 0 CIAEHN Cc1cnc([C@@H](C)N[C@@H]2CCCCC23CCCC3)o1 ZINC000394054116 260212536 /nfs/dbraw/zinc/21/25/36/260212536.db2.gz KEKSPTLHIBWMKE-ZIAGYGMSSA-N 0 3 262.397 4.137 10 0 CIAEHN CC[C@@H](NCc1cccn1CC)c1ccc(Cl)cc1 ZINC000091023962 260265128 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171331875 /nfs/dbraw/zinc/33/18/75/171331875.db2.gz AWPWZWSHRGUVOQ-RKDXNWHRSA-N 0 3 258.192 4.443 10 0 CIAEHN CC(C)COC[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000021815496 171331880 /nfs/dbraw/zinc/33/18/80/171331880.db2.gz LMTXYURZWMMFCK-SFHVURJKSA-N 0 3 269.388 4.026 10 0 CIAEHN CCCCc1ccc([C@H](N)c2ccc(C)cc2)cc1 ZINC000021817057 171332953 /nfs/dbraw/zinc/33/29/53/171332953.db2.gz QETKDFIVYMYCNT-GOSISDBHSA-N 0 3 253.389 4.386 10 0 CIAEHN Cc1ccc(OC[C@H](N)c2ccccc2)c(C(C)(C)C)c1 ZINC000021818442 171333706 /nfs/dbraw/zinc/33/37/06/171333706.db2.gz JJOVXUWSKOHWKT-KRWDZBQOSA-N 0 3 283.415 4.371 10 0 CIAEHN CC(C)CC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000022146220 171356586 /nfs/dbraw/zinc/35/65/86/171356586.db2.gz LITAUAYHTIBNAZ-RYUDHWBXSA-N 0 3 255.352 4.440 10 0 CIAEHN COc1cc([C@@H](N)c2csc3ccccc32)ccc1C ZINC000034973441 171908828 /nfs/dbraw/zinc/90/88/28/171908828.db2.gz DNMHCHRVGURLMB-QGZVFWFLSA-N 0 3 283.396 4.266 10 0 CIAEHN Cc1ccc(C)c(C(=O)[C@@H](C)N(C)C2CCCCC2)c1 ZINC000035021271 171940603 /nfs/dbraw/zinc/94/06/03/171940603.db2.gz SBHLZGNMLJDXOE-OAHLLOKOSA-N 0 3 273.420 4.139 10 0 CIAEHN C[C@H](NCc1ccc2ncccc2c1)c1cccs1 ZINC000035134103 172000108 /nfs/dbraw/zinc/00/01/08/172000108.db2.gz XINCIKWZAYOJAC-LBPRGKRZSA-N 0 3 268.385 4.147 10 0 CIAEHN Fc1cccc(F)c1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257596 172088087 /nfs/dbraw/zinc/08/80/87/172088087.db2.gz KEFZCMJLGIYZGY-NXEZZACHSA-N 0 3 293.279 4.176 10 0 CIAEHN Cc1ccc([C@H](N)c2ccc(Br)s2)c(C)c1 ZINC000035381017 172163096 /nfs/dbraw/zinc/16/30/96/172163096.db2.gz ZLGHRGJROHUZBN-ZDUSSCGKSA-N 0 3 296.233 4.176 10 0 CIAEHN CC[C@@H](C)Oc1c2ccccc2ccc1[C@H](C)NC ZINC000035427436 172194392 /nfs/dbraw/zinc/19/43/92/172194392.db2.gz CMRWICDFVNEBLY-OLZOCXBDSA-N 0 3 257.377 4.298 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000035459396 172208181 /nfs/dbraw/zinc/20/81/81/172208181.db2.gz MQXNGLARSBJWQS-CYBMUJFWSA-N 0 3 285.334 4.384 10 0 CIAEHN CN[C@H](c1ccc(C)s1)c1ccccc1Br ZINC000035459312 172208526 /nfs/dbraw/zinc/20/85/26/172208526.db2.gz DELOHRJRCGYQDV-ZDUSSCGKSA-N 0 3 296.233 4.128 10 0 CIAEHN CCc1ccc([C@@H](NC)c2cc(Cl)ccc2F)s1 ZINC000035460807 172208966 /nfs/dbraw/zinc/20/89/66/172208966.db2.gz BUMKRBHXSAEMBZ-AWEZNQCLSA-N 0 3 283.799 4.412 10 0 CIAEHN CN[C@@H](c1ccc(Br)cc1)c1cccc(C)c1 ZINC000035462864 172210922 /nfs/dbraw/zinc/21/09/22/172210922.db2.gz YEXMRBIYRBKUCN-HNNXBMFYSA-N 0 3 290.204 4.066 10 0 CIAEHN CN[C@@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035464037 172211910 /nfs/dbraw/zinc/21/19/10/172211910.db2.gz QEBDBMIKZRUBEZ-GFCCVEGCSA-N 0 3 251.782 4.019 10 0 CIAEHN CCCC[C@@H](CC)[C@H](NC)c1ccc(F)cc1F ZINC000035491669 172225525 /nfs/dbraw/zinc/22/55/25/172225525.db2.gz RKLNFZRZHUBXLV-ABAIWWIYSA-N 0 3 255.352 4.442 10 0 CIAEHN CN[C@@H](c1occc1C)c1c(C)c(C)cc(C)c1C ZINC000035490902 172225636 /nfs/dbraw/zinc/22/56/36/172225636.db2.gz SHAFEPKISQFZTC-MRXNPFEDSA-N 0 3 257.377 4.131 10 0 CIAEHN CN[C@@H](CC1CCCCC1)c1ccc(F)cc1F ZINC000035491703 172225846 /nfs/dbraw/zinc/22/58/46/172225846.db2.gz QPQBWZYGQHGIQU-HNNXBMFYSA-N 0 3 253.336 4.196 10 0 CIAEHN CN[C@H](c1cc(C)sc1C)c1ccc(C)c(C)c1 ZINC000035497866 172231061 /nfs/dbraw/zinc/23/10/61/172231061.db2.gz BDCKTXVDMZDQCA-INIZCTEOSA-N 0 3 259.418 4.291 10 0 CIAEHN CN[C@H](c1cc(C)sc1C)c1cc(Cl)ccc1OC ZINC000035497629 172231318 /nfs/dbraw/zinc/23/13/18/172231318.db2.gz BLNWHXLPYOIQHG-OAHLLOKOSA-N 0 3 295.835 4.336 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1sccc1C ZINC000035497940 172231329 /nfs/dbraw/zinc/23/13/29/172231329.db2.gz BDWIRNHAVOYMSD-JTQLQIEISA-N 0 3 257.811 4.080 10 0 CIAEHN CCc1ccc([C@H](NC)c2ccc(Cl)s2)cc1 ZINC000035498134 172231383 /nfs/dbraw/zinc/23/13/83/172231383.db2.gz WWAWOFMYDVZNON-AWEZNQCLSA-N 0 3 265.809 4.273 10 0 CIAEHN CN[C@@H](Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035502027 172236562 /nfs/dbraw/zinc/23/65/62/172236562.db2.gz FTKSIEMSPYLVMV-HNNXBMFYSA-N 0 3 280.198 4.497 10 0 CIAEHN CCN[C@@H](c1ccc(CC)s1)c1cc(C)oc1C ZINC000035537290 172243456 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CCCNCc1c(Cl)cccc1N(C)[C@H](C)CC ZINC000034825053 171879456 /nfs/dbraw/zinc/87/94/56/171879456.db2.gz SPRLWJIPQUCLPL-GFCCVEGCSA-N 0 3 268.832 4.074 10 0 CIAEHN CCN[C@@H](C)c1c(F)cccc1OC(C)(C)CC ZINC000034845000 171887896 /nfs/dbraw/zinc/88/78/96/171887896.db2.gz SEGFQTPQABADQG-NSHDSACASA-N 0 3 253.361 4.064 10 0 CIAEHN CCN([C@@H](C)C(=O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035022820 171941044 /nfs/dbraw/zinc/94/10/44/171941044.db2.gz GSPWIDYNBNBLHZ-LBPRGKRZSA-N 0 3 295.373 4.191 10 0 CIAEHN CC[C@H](C)Oc1c2ccccc2ccc1[C@H](C)NC ZINC000035427438 172194327 /nfs/dbraw/zinc/19/43/27/172194327.db2.gz CMRWICDFVNEBLY-STQMWFEESA-N 0 3 257.377 4.298 10 0 CIAEHN CC[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)NC ZINC000035427434 172194604 /nfs/dbraw/zinc/19/46/04/172194604.db2.gz CMRWICDFVNEBLY-QWHCGFSZSA-N 0 3 257.377 4.298 10 0 CIAEHN CCCCCCNC1=NC[C@@H](c2ccccc2)S1 ZINC000035431668 172200013 /nfs/dbraw/zinc/20/00/13/172200013.db2.gz OGTYJBOZZZUQRD-AWEZNQCLSA-N 0 3 262.422 4.000 10 0 CIAEHN 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171309000 /nfs/dbraw/zinc/30/90/00/171309000.db2.gz XVIUDOPEGRSNDG-GOSISDBHSA-N 0 3 253.389 4.277 10 0 CIAEHN N[C@@H](COc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000021510436 171310033 /nfs/dbraw/zinc/31/00/33/171310033.db2.gz FVJRNWILCDOOEV-SFHVURJKSA-N 0 3 281.330 4.058 10 0 CIAEHN Cc1cc(C)cc(Oc2ccc(F)cc2[C@@H](C)N)c1 ZINC000021510548 171310115 /nfs/dbraw/zinc/31/01/15/171310115.db2.gz GALLAAULMNDATN-GFCCVEGCSA-N 0 3 259.324 4.255 10 0 CIAEHN CCc1ccc([C@H](C)NCc2ccc(C)cc2)cc1 ZINC000021517758 171313894 /nfs/dbraw/zinc/31/38/94/171313894.db2.gz JSXXGSRGJYIJRF-HNNXBMFYSA-N 0 3 253.389 4.408 10 0 CIAEHN Cc1ccc(Oc2ccc(F)cc2[C@H](C)N)cc1C ZINC000021519010 171315004 /nfs/dbraw/zinc/31/50/04/171315004.db2.gz YACOKHDAGCOGIQ-LBPRGKRZSA-N 0 3 259.324 4.255 10 0 CIAEHN Cc1ccc([C@H](N)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521097 171316070 /nfs/dbraw/zinc/31/60/70/171316070.db2.gz BTQJRUYLJJQRJE-CRAIPNDOSA-N 0 3 269.388 4.079 10 0 CIAEHN CCCc1ccc([C@@H](N)CO[C@@H](C)CC(C)C)cc1 ZINC000021794246 171324535 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ZINC000035497939 172231498 /nfs/dbraw/zinc/23/14/98/172231498.db2.gz BDWIRNHAVOYMSD-SNVBAGLBSA-N 0 3 257.811 4.080 10 0 CIAEHN CN[C@@H](c1cc(C)sc1C)c1cccc(C)c1C ZINC000035497768 172231585 /nfs/dbraw/zinc/23/15/85/172231585.db2.gz HDHILYICPICQIV-MRXNPFEDSA-N 0 3 259.418 4.291 10 0 CIAEHN CN[C@H](c1sccc1C)c1ccc(OC(C)C)cc1 ZINC000035498574 172232081 /nfs/dbraw/zinc/23/20/81/172232081.db2.gz IFFPQZWUMMXJMS-HNNXBMFYSA-N 0 3 275.417 4.153 10 0 CIAEHN CN[C@@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035498388 172232513 /nfs/dbraw/zinc/23/25/13/172232513.db2.gz VAFSDLKROMLCSL-CYBMUJFWSA-N 0 3 251.782 4.019 10 0 CIAEHN CN[C@@H](c1ccsc1)c1csc2ccccc12 ZINC000035499433 172233272 /nfs/dbraw/zinc/23/32/72/172233272.db2.gz MNDFDHWAFJQFPK-AWEZNQCLSA-N 0 3 259.399 4.272 10 0 CIAEHN CN[C@@H](c1cccc(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501578 172235566 /nfs/dbraw/zinc/23/55/66/172235566.db2.gz WEZFZXDFQZFIHI-HNNXBMFYSA-N 0 3 296.197 4.311 10 0 CIAEHN CN[C@@H](c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501593 172235929 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/nfs/dbraw/zinc/25/37/44/172253744.db2.gz KOHJIOYXUAFKEL-CYBMUJFWSA-N 0 3 296.233 4.210 10 0 CIAEHN CCCc1ccc([C@@H](NCC)c2occc2C)cc1 ZINC000035550211 172257408 /nfs/dbraw/zinc/25/74/08/172257408.db2.gz FBGDGPUOKPWWSE-MRXNPFEDSA-N 0 3 257.377 4.239 10 0 CIAEHN CCN[C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035553537 172259993 /nfs/dbraw/zinc/25/99/93/172259993.db2.gz KCYMZSVKJHSITN-ZDUSSCGKSA-N 0 3 269.772 4.240 10 0 CIAEHN CCCCC[C@H](NCC)c1cc(F)ccc1OC ZINC000035554437 172260650 /nfs/dbraw/zinc/26/06/50/172260650.db2.gz UBZHEGFNAZFDHU-AWEZNQCLSA-N 0 3 253.361 4.065 10 0 CIAEHN CCN[C@H](c1ccco1)c1csc2ccccc12 ZINC000035554867 172260965 /nfs/dbraw/zinc/26/09/65/172260965.db2.gz MSFLMVUDDFTUDV-HNNXBMFYSA-N 0 3 257.358 4.193 10 0 CIAEHN CCCN[C@@H](c1ccc(C)o1)c1ccc(C)c(C)c1 ZINC000035572729 172269008 /nfs/dbraw/zinc/26/90/08/172269008.db2.gz LQSGGTHUKZIXSO-QGZVFWFLSA-N 0 3 257.377 4.294 10 0 CIAEHN CCCN[C@@H](CC(F)(F)F)c1ccc(C)s1 ZINC000035573255 172269622 /nfs/dbraw/zinc/26/96/22/172269622.db2.gz KXTAWNYVMPZPDY-VIFPVBQESA-N 0 3 251.317 4.050 10 0 CIAEHN CCCN[C@@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035573842 172270428 /nfs/dbraw/zinc/27/04/28/172270428.db2.gz QEZLBIFDHHIUKT-OAHLLOKOSA-N 0 3 279.767 4.031 10 0 CIAEHN CCCN[C@@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035574688 172271336 /nfs/dbraw/zinc/27/13/36/172271336.db2.gz RLDNNAYGIBQYJN-MRXNPFEDSA-N 0 3 261.340 4.125 10 0 CIAEHN CCCN[C@H](c1c(F)cc(F)cc1F)[C@@H](C)CC ZINC000035580876 172276201 /nfs/dbraw/zinc/27/62/01/172276201.db2.gz JYGUKEJMXMWMOJ-XPTSAGLGSA-N 0 3 259.315 4.191 10 0 CIAEHN CCCN[C@@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035583480 172281625 /nfs/dbraw/zinc/28/16/25/172281625.db2.gz WYMVCJKVEKTACP-LBPRGKRZSA-N 0 3 255.770 4.084 10 0 CIAEHN CCCN[C@@H](c1cc(C)sc1C)c1occc1C ZINC000035583231 172281649 /nfs/dbraw/zinc/28/16/49/172281649.db2.gz JBAPAQYWPSCGAU-AWEZNQCLSA-N 0 3 263.406 4.355 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1ccc(Cl)s1 ZINC000035583719 172282331 /nfs/dbraw/zinc/28/23/31/172282331.db2.gz HSQVWDYIUJXUGY-SSDOTTSWSA-N 0 3 271.735 4.395 10 0 CIAEHN CCCN[C@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035584648 172284373 /nfs/dbraw/zinc/28/43/73/172284373.db2.gz YOTVUVJFZNUNSN-LLVKDONJSA-N 0 3 285.815 4.198 10 0 CIAEHN CC(C)N[C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654225 172330494 /nfs/dbraw/zinc/33/04/94/172330494.db2.gz UABGRTRMYYYDKZ-NSHDSACASA-N 0 3 274.191 4.205 10 0 CIAEHN CCNCc1cc(Cl)cc(Cl)c1O[C@@H](C)CC ZINC000035662089 172340687 /nfs/dbraw/zinc/34/06/87/172340687.db2.gz LJOZPBAGOVCOQV-VIFPVBQESA-N 0 3 276.207 4.280 10 0 CIAEHN CC[C@H](C)Sc1ccc(C(F)(F)F)cc1CN ZINC000035719943 172375244 /nfs/dbraw/zinc/37/52/44/172375244.db2.gz ZVZILCHQPUWJBT-QMMMGPOBSA-N 0 3 263.328 4.055 10 0 CIAEHN C[C@H]1C[C@@H](NC2CC2)c2cccc(Cl)c2S1 ZINC000035760287 172398625 /nfs/dbraw/zinc/39/86/25/172398625.db2.gz AGOUWJQLPUJPND-QPUJVOFHSA-N 0 3 253.798 4.017 10 0 CIAEHN Clc1ccc(Cl)c2c1SCC[C@H]2NC1CC1 ZINC000035761357 172399475 /nfs/dbraw/zinc/39/94/75/172399475.db2.gz VUBFAXNCNNZMFW-SNVBAGLBSA-N 0 3 274.216 4.282 10 0 CIAEHN C[C@@H]1C[C@@H](NC2CC2)c2cccc(Br)c2S1 ZINC000035762761 172402512 /nfs/dbraw/zinc/40/25/12/172402512.db2.gz RPZTTYBXXYJJFQ-PRHODGIISA-N 0 3 298.249 4.127 10 0 CIAEHN Cc1cc(Cl)ccc1-c1ccc([C@H](C)N)s1 ZINC000036666834 172646042 /nfs/dbraw/zinc/64/60/42/172646042.db2.gz IOTPXFMVTARETR-VIFPVBQESA-N 0 3 251.782 4.397 10 0 CIAEHN CCCCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037198008 173024837 /nfs/dbraw/zinc/02/48/37/173024837.db2.gz FMSBYZCQBDAKGW-GFCCVEGCSA-N 0 3 274.191 4.207 10 0 CIAEHN CCCCCCO[C@H](C)[C@@H](N)c1ccc(CC)cc1 ZINC000037224228 173044588 /nfs/dbraw/zinc/04/45/88/173044588.db2.gz IQWALXIYKUMKPI-RHSMWYFYSA-N 0 3 263.425 4.234 10 0 CIAEHN Cc1cccc([C@H](N)c2ccc(Cl)c(Cl)c2)c1 ZINC000037377645 173166244 /nfs/dbraw/zinc/16/62/44/173166244.db2.gz PXCTTXPTHKVAEP-AWEZNQCLSA-N 0 3 266.171 4.350 10 0 CIAEHN COc1cc([C@@H](N)c2ccc(Cl)c(Cl)c2)ccc1C ZINC000037377896 173166317 /nfs/dbraw/zinc/16/63/17/173166317.db2.gz LCMTZBOMESQUFZ-HNNXBMFYSA-N 0 3 296.197 4.359 10 0 CIAEHN 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URYXPWSUCAHMFJ-GOSISDBHSA-N 0 3 283.415 4.371 10 0 CIAEHN Cc1ccc([C@H](N)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021042257 171293853 /nfs/dbraw/zinc/29/38/53/171293853.db2.gz XSQFSAHSANKKPP-AITUJVMLSA-N 0 3 289.463 4.472 10 0 CIAEHN Cc1ccc([C@@H](N)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502744 171306563 /nfs/dbraw/zinc/30/65/63/171306563.db2.gz MXBBOJPTLPGHTR-YJBOKZPZSA-N 0 3 269.388 4.079 10 0 CIAEHN Cc1ccccc1[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000021505895 171307438 /nfs/dbraw/zinc/30/74/38/171307438.db2.gz ZSORHEIYBLCOBB-SFHVURJKSA-N 0 3 253.389 4.242 10 0 CIAEHN CC(C)Cc1ccc([C@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021508327 171308814 /nfs/dbraw/zinc/30/88/14/171308814.db2.gz CIIVXAUIRCHOMY-KFKAGJAMSA-N 0 3 289.463 4.480 10 0 CIAEHN CC[C@@H](C)c1ccccc1O[C@H]1Cc2ccccc2[C@@H]1N ZINC000021509938 171309858 /nfs/dbraw/zinc/30/98/58/171309858.db2.gz VLOWTULEJWHXPO-VMDGZTHMSA-N 0 3 281.399 4.204 10 0 CIAEHN CCCc1ccc([C@H](N)c2ccc(C)cc2C)cc1 ZINC000021516295 171312784 /nfs/dbraw/zinc/31/27/84/171312784.db2.gz YFSTWYNTRZFKOE-SFHVURJKSA-N 0 3 253.389 4.304 10 0 CIAEHN CC(C)c1ccc([C@@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021517119 171313270 /nfs/dbraw/zinc/31/32/70/171313270.db2.gz TXTGAULHNUIUNN-JCGIZDLHSA-N 0 3 275.436 4.405 10 0 CIAEHN CC(C)c1ccc([C@H](N)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021517120 171313285 /nfs/dbraw/zinc/31/32/85/171313285.db2.gz TXTGAULHNUIUNN-BMGDILEWSA-N 0 3 275.436 4.405 10 0 CIAEHN CC(C)C[C@H](C)OC[C@@H](N)c1cccc2ccccc21 ZINC000021517051 171313383 /nfs/dbraw/zinc/31/33/83/171313383.db2.gz QGMAFIFROBDPRU-KBXCAEBGSA-N 0 3 271.404 4.291 10 0 CIAEHN CC[C@@H](C)c1ccc([C@@H](N)c2ccccc2F)cc1 ZINC000021517438 171313690 /nfs/dbraw/zinc/31/36/90/171313690.db2.gz WRLMWMGBBXWXNU-SJKOYZFVSA-N 0 3 257.352 4.387 10 0 CIAEHN Cc1ccc([C@H](N)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807405 171327779 /nfs/dbraw/zinc/32/77/79/171327779.db2.gz XUQOSVKTJAPRPI-MAUKXSAKSA-N 0 3 269.388 4.079 10 0 CIAEHN CC(C)(C)c1ccc(OC[C@H](N)c2ccccc2)cc1 ZINC000021814424 171331784 /nfs/dbraw/zinc/33/17/84/171331784.db2.gz IAHCCBVOWUHFCW-KRWDZBQOSA-N 0 3 269.388 4.063 10 0 CIAEHN Cc1ccc(C)c(O[C@H](C(C)C)[C@@H](N)c2ccccc2)c1 ZINC000021815734 171331882 /nfs/dbraw/zinc/33/18/82/171331882.db2.gz QKKLSLCGCBKQJV-RBUKOAKNSA-N 0 3 283.415 4.407 10 0 CIAEHN Cc1cc(C)c([C@H](N)c2cccc(Cl)c2)c(C)c1 ZINC000021817530 171333367 /nfs/dbraw/zinc/33/33/67/171333367.db2.gz WBVKATRBBBNUMK-MRXNPFEDSA-N 0 3 259.780 4.313 10 0 CIAEHN C[C@H]1CCCC[C@@H]1NCc1c(F)cccc1Cl ZINC000021817849 171333441 /nfs/dbraw/zinc/33/34/41/171333441.db2.gz DTJFPPPSEGGETP-HZMBPMFUSA-N 0 3 255.764 4.147 10 0 CIAEHN CC[C@H](C)c1ccc([C@@H](N)c2ccc(F)cc2)cc1 ZINC000022152278 171359516 /nfs/dbraw/zinc/35/95/16/171359516.db2.gz CPYXHOJVHYTLQK-YVEFUNNKSA-N 0 3 257.352 4.387 10 0 CIAEHN Cc1ccc(C)c([C@@H](N)c2ccc(Cl)s2)c1 ZINC000034939160 171898828 /nfs/dbraw/zinc/89/88/28/171898828.db2.gz YLZIWFGVJKDLMA-CYBMUJFWSA-N 0 3 251.782 4.066 10 0 CIAEHN Fc1cccc(CN[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000035258073 172089265 /nfs/dbraw/zinc/08/92/65/172089265.db2.gz XPPUHMDHTSEFRK-STQMWFEESA-N 0 3 275.289 4.036 10 0 CIAEHN Cc1ccc(C)c([C@H](N)c2ccc(Br)s2)c1 ZINC000035381062 172163671 /nfs/dbraw/zinc/16/36/71/172163671.db2.gz YDOLBATUQVUGKZ-ZDUSSCGKSA-N 0 3 296.233 4.176 10 0 CIAEHN Cc1ccc([C@@H](N)c2ccc(Br)s2)cc1C ZINC000035381774 172164096 /nfs/dbraw/zinc/16/40/96/172164096.db2.gz FWLPZOMMSJFHKU-CYBMUJFWSA-N 0 3 296.233 4.176 10 0 CIAEHN Cc1ccc([C@H](N)c2ccc(Br)s2)cc1C ZINC000035381772 172164342 /nfs/dbraw/zinc/16/43/42/172164342.db2.gz FWLPZOMMSJFHKU-ZDUSSCGKSA-N 0 3 296.233 4.176 10 0 CIAEHN Cc1ccc([C@H](N)c2cc3c(s2)CCCC3)cc1C ZINC000035381738 172164729 /nfs/dbraw/zinc/16/47/29/172164729.db2.gz HAYMUWWPNSNECM-KRWDZBQOSA-N 0 3 271.429 4.292 10 0 CIAEHN CCCCCCOc1c(CNCCC)cccc1OC ZINC000035413738 172186603 /nfs/dbraw/zinc/18/66/03/172186603.db2.gz NDENCAAXPHRRGT-UHFFFAOYSA-N 0 3 279.424 4.154 10 0 CIAEHN CCCCCCOc1c(CNC(C)C)cccc1OC ZINC000035413782 172186661 /nfs/dbraw/zinc/18/66/61/172186661.db2.gz JQPCRBIVYNPYLX-UHFFFAOYSA-N 0 3 279.424 4.152 10 0 CIAEHN CN[C@@H](c1ccc(C)c(C)c1)c1ccccc1Cl ZINC000035457084 172206863 /nfs/dbraw/zinc/20/68/63/172206863.db2.gz GLXKRTNLNWOBKR-INIZCTEOSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@H](c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000035457725 172207515 /nfs/dbraw/zinc/20/75/15/172207515.db2.gz HAHHZMFCUBAWIP-MRXNPFEDSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](c1ccc(C)c(C)c1)c1ccc(C)c(F)c1 ZINC000035457561 172207815 /nfs/dbraw/zinc/20/78/15/172207815.db2.gz CQUZZTIIOOKQAC-KRWDZBQOSA-N 0 3 257.352 4.060 10 0 CIAEHN CN[C@H](c1ccc(C)c(C)c1)c1ccccc1Cl ZINC000035457088 172207887 /nfs/dbraw/zinc/20/78/87/172207887.db2.gz GLXKRTNLNWOBKR-MRXNPFEDSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1cccc(Br)c1 ZINC000035458936 172208515 /nfs/dbraw/zinc/20/85/15/172208515.db2.gz UBEYXZTYFJAZJS-CYBMUJFWSA-N 0 3 296.233 4.128 10 0 CIAEHN CN[C@@H](c1ccc(C)s1)c1ccc(C(C)C)cc1 ZINC000035458958 172208555 /nfs/dbraw/zinc/20/85/55/172208555.db2.gz DEMDSMOQKCOXIO-MRXNPFEDSA-N 0 3 259.418 4.489 10 0 CIAEHN CCc1ccc([C@@H](NC)c2cc(C)ccc2C)s1 ZINC000035460797 172209343 /nfs/dbraw/zinc/20/93/43/172209343.db2.gz NIYONUFMKFFUDC-INIZCTEOSA-N 0 3 259.418 4.236 10 0 CIAEHN CCc1ccc([C@H](NC)c2cc3c(s2)CCC3)s1 ZINC000035460535 172209488 /nfs/dbraw/zinc/20/94/88/172209488.db2.gz JLVWVYUGBOXJDU-HNNXBMFYSA-N 0 3 277.458 4.170 10 0 CIAEHN CN[C@@H](c1ccc(Cl)cc1)c1cccc(C)c1C ZINC000035464579 172212264 /nfs/dbraw/zinc/21/22/64/172212264.db2.gz MEWIGIWTNJMORV-INIZCTEOSA-N 0 3 259.780 4.266 10 0 CIAEHN CN[C@@H](c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035464593 172212631 /nfs/dbraw/zinc/21/26/31/172212631.db2.gz DNXVWJQZOWNCBK-AWEZNQCLSA-N 0 3 266.171 4.302 10 0 CIAEHN CN[C@@H](c1ccc(C)cc1)c1cccc(Br)c1 ZINC000035466186 172214099 /nfs/dbraw/zinc/21/40/99/172214099.db2.gz JVVPGEYJEVGIKI-HNNXBMFYSA-N 0 3 290.204 4.066 10 0 CIAEHN CN[C@H](CC1CCCCC1)c1cc(F)ccc1F ZINC000035468649 172218753 /nfs/dbraw/zinc/21/87/53/172218753.db2.gz XTVUTPOJLDRODL-OAHLLOKOSA-N 0 3 253.336 4.196 10 0 CIAEHN CN[C@@H](c1cccs1)c1cccc2ccccc21 ZINC000035488286 172222941 /nfs/dbraw/zinc/22/29/41/172222941.db2.gz UZRYVFNZFOEZHW-MRXNPFEDSA-N 0 3 253.370 4.210 10 0 CIAEHN CN[C@H](c1cccs1)c1c(C)c(C)cc(C)c1C ZINC000035490940 172225337 /nfs/dbraw/zinc/22/53/37/172225337.db2.gz OJUJPCBZMADMFW-MRXNPFEDSA-N 0 3 259.418 4.291 10 0 CIAEHN CCc1ccc([C@@H](NC)c2cccc(Cl)c2)cc1 ZINC000035495298 172228453 /nfs/dbraw/zinc/22/84/53/172228453.db2.gz LUHVVUVODLZYRU-MRXNPFEDSA-N 0 3 259.780 4.211 10 0 CIAEHN CN[C@H](c1cc(C)sc1C)c1sccc1C ZINC000035497401 172230440 /nfs/dbraw/zinc/23/04/40/172230440.db2.gz OOQJJZRAVUSZRP-GFCCVEGCSA-N 0 3 251.420 4.044 10 0 CIAEHN CN[C@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035498458 172232250 /nfs/dbraw/zinc/23/22/50/172232250.db2.gz HAWGHYQXZGIFEP-ZDUSSCGKSA-N 0 3 251.782 4.019 10 0 CIAEHN CN[C@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035499836 172234079 /nfs/dbraw/zinc/23/40/79/172234079.db2.gz PXQVCCMFSHYXBI-SNVBAGLBSA-N 0 3 259.296 4.114 10 0 CIAEHN CCC[C@H](NC)c1cc(OCC)c(OCC)cc1Cl ZINC000035501060 172235109 /nfs/dbraw/zinc/23/51/09/172235109.db2.gz ALJYNZRXCJYZSR-ZDUSSCGKSA-N 0 3 285.815 4.198 10 0 CIAEHN CN[C@H](c1cccc(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501579 172235792 /nfs/dbraw/zinc/23/57/92/172235792.db2.gz WEZFZXDFQZFIHI-OAHLLOKOSA-N 0 3 296.197 4.311 10 0 CIAEHN CCN[C@@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035510157 172241537 /nfs/dbraw/zinc/24/15/37/172241537.db2.gz VOLMOFIIZFNTFK-CQSZACIVSA-N 0 3 267.344 4.034 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035510155 172241602 /nfs/dbraw/zinc/24/16/02/172241602.db2.gz VOLMOFIIZFNTFK-AWEZNQCLSA-N 0 3 267.344 4.034 10 0 CIAEHN CCN[C@H](c1ccc(C)s1)c1ccccc1OCC ZINC000035510328 172241616 /nfs/dbraw/zinc/24/16/16/172241616.db2.gz GVBLMJXLNNKZEY-INIZCTEOSA-N 0 3 275.417 4.154 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1ccccc1F ZINC000035537756 172244014 /nfs/dbraw/zinc/24/40/14/172244014.db2.gz ZVODSVOETHWSBX-HNNXBMFYSA-N 0 3 263.381 4.149 10 0 CIAEHN CCN[C@H](c1cccs1)c1ccc(CC)s1 ZINC000035537314 172244173 /nfs/dbraw/zinc/24/41/73/172244173.db2.gz OGKZBJDGWZUMDP-CYBMUJFWSA-N 0 3 251.420 4.071 10 0 CIAEHN CCN[C@H](c1ccc(CC)s1)c1ccccc1C ZINC000035537927 172244436 /nfs/dbraw/zinc/24/44/36/172244436.db2.gz GIAHKWGDPFKGOE-INIZCTEOSA-N 0 3 259.418 4.318 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035538312 172244948 /nfs/dbraw/zinc/24/49/48/172244948.db2.gz KJXIHTCENKSDJF-CQSZACIVSA-N 0 3 281.808 4.109 10 0 CIAEHN CCN[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035540146 172246180 /nfs/dbraw/zinc/24/61/80/172246180.db2.gz WPPZEFGGEKFYGL-ZDUSSCGKSA-N 0 3 251.782 4.100 10 0 CIAEHN CCN[C@@H](c1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000035540007 172246212 /nfs/dbraw/zinc/24/62/12/172246212.db2.gz KUXJQUVCVBGBRG-KRWDZBQOSA-N 0 3 257.352 4.141 10 0 CIAEHN CCN[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035540167 172246242 /nfs/dbraw/zinc/24/62/42/172246242.db2.gz SEVBXIMQICTBGQ-CYBMUJFWSA-N 0 3 251.782 4.100 10 0 CIAEHN CCN[C@@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035540153 172246287 /nfs/dbraw/zinc/24/62/87/172246287.db2.gz ZEDMFFIZFIUFQB-CYBMUJFWSA-N 0 3 265.809 4.409 10 0 CIAEHN CCN[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035540147 172246568 /nfs/dbraw/zinc/24/65/68/172246568.db2.gz WPPZEFGGEKFYGL-CYBMUJFWSA-N 0 3 251.782 4.100 10 0 CIAEHN CCN[C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035540448 172247040 /nfs/dbraw/zinc/24/70/40/172247040.db2.gz APOCCAAOZNLWKM-CYBMUJFWSA-N 0 3 296.233 4.210 10 0 CIAEHN CCN[C@H](c1ccccc1)c1ccc(Cl)cc1F ZINC000035540528 172247121 /nfs/dbraw/zinc/24/71/21/172247121.db2.gz ORRRGLDDNDJDNX-OAHLLOKOSA-N 0 3 263.743 4.178 10 0 CIAEHN CCC[C@H](C)[C@@H](NCC)c1c(F)cc(F)cc1F ZINC000035544655 172252783 /nfs/dbraw/zinc/25/27/83/172252783.db2.gz JXFHUHDGZFVOOD-LKFCYVNXSA-N 0 3 259.315 4.191 10 0 CIAEHN CCN[C@@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035552505 172259449 /nfs/dbraw/zinc/25/94/49/172259449.db2.gz VWZZKMPOYBIBAD-MRXNPFEDSA-N 0 3 275.417 4.072 10 0 CIAEHN CCN[C@@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035552561 172259783 /nfs/dbraw/zinc/25/97/83/172259783.db2.gz OBXRIZXKXXRBCW-MRXNPFEDSA-N 0 3 275.417 4.072 10 0 CIAEHN CCN[C@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035553682 172260320 /nfs/dbraw/zinc/26/03/20/172260320.db2.gz GVZASTAVVMJYKR-AWEZNQCLSA-N 0 3 265.809 4.409 10 0 CIAEHN CCN[C@@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000035553256 172260357 /nfs/dbraw/zinc/26/03/57/172260357.db2.gz PTWBJAMPKSCMJD-CYBMUJFWSA-N 0 3 287.762 4.379 10 0 CIAEHN CCN[C@H](c1ccoc1)c1csc2ccccc12 ZINC000035554872 172260810 /nfs/dbraw/zinc/26/08/10/172260810.db2.gz CTNGPDCCZXIFHO-OAHLLOKOSA-N 0 3 257.358 4.193 10 0 CIAEHN CCN[C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035558075 172263862 /nfs/dbraw/zinc/26/38/62/172263862.db2.gz ZIYUDJQZGCKEEP-CQSZACIVSA-N 0 3 281.186 4.087 10 0 CIAEHN CCCN[C@@H](c1sccc1C)c1ccc(F)cc1 ZINC000035574676 172271617 /nfs/dbraw/zinc/27/16/17/172271617.db2.gz WZEQCSGHAXMFIP-CQSZACIVSA-N 0 3 263.381 4.285 10 0 CIAEHN CCCN[C@@H](CC(F)(F)F)c1ccc(C)cc1C ZINC000035579719 172275507 /nfs/dbraw/zinc/27/55/07/172275507.db2.gz QKJPHRQTGKGRGW-ZDUSSCGKSA-N 0 3 259.315 4.297 10 0 CIAEHN CCCN[C@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035583035 172280890 /nfs/dbraw/zinc/28/08/90/172280890.db2.gz PFWVFKYUVVPJDD-KRWDZBQOSA-N 0 3 271.429 4.326 10 0 CIAEHN CCCN[C@@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035583146 172280932 /nfs/dbraw/zinc/28/09/32/172280932.db2.gz NCCNRGBTMXSFKW-AWEZNQCLSA-N 0 3 271.326 4.168 10 0 CIAEHN CCCN[C@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035583439 172281854 /nfs/dbraw/zinc/28/18/54/172281854.db2.gz JBCJPLMQPSQSOQ-LLVKDONJSA-N 0 3 265.344 4.358 10 0 CIAEHN CCCN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035585183 172284968 /nfs/dbraw/zinc/28/49/68/172284968.db2.gz SFOHRNFEOMIIDA-UONOGXRCSA-N 0 3 288.218 4.213 10 0 CIAEHN CC(C)N[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000035652934 172329365 /nfs/dbraw/zinc/32/93/65/172329365.db2.gz JLGDAHGQXRPWRQ-LLVKDONJSA-N 0 3 274.191 4.205 10 0 CIAEHN NCc1cc(Cl)cc(Cl)c1OCCc1ccccc1 ZINC000035661850 172339312 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/nfs/dbraw/zinc/30/73/10/331307310.db2.gz HRMQBENRMJZGQC-DLBZAZTESA-N 0 3 285.362 4.390 10 0 CIAEHN Cc1cnc([C@H](C)NC(CC(C)C)CC(C)C)o1 ZINC000220935442 333170913 /nfs/dbraw/zinc/17/09/13/333170913.db2.gz UEFAKAYEUFEZHD-ZDUSSCGKSA-N 0 3 252.402 4.094 10 0 CIAEHN Cc1cccc([C@H](C)N[C@H]2CCCc3c(O)cccc32)c1 ZINC000192353715 333234809 /nfs/dbraw/zinc/23/48/09/333234809.db2.gz JQNJJSWFDZWVPO-KSSFIOAISA-N 0 3 281.399 4.429 10 0 CIAEHN Cc1cnc([C@@H](C)NC2CC(C)(C)CC(C)(C)C2)o1 ZINC000231531373 333325813 /nfs/dbraw/zinc/32/58/13/333325813.db2.gz ACOUVDIZVXZHOE-GFCCVEGCSA-N 0 3 264.413 4.239 10 0 CIAEHN Cc1ccc(CN[C@@H]2CCc3ccccc32)cc1Cl ZINC000235976898 333372652 /nfs/dbraw/zinc/37/26/52/333372652.db2.gz FZHUGLBGFQFCLE-QGZVFWFLSA-N 0 3 271.791 4.426 10 0 CIAEHN Cc1ncsc1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000126153843 333591505 /nfs/dbraw/zinc/59/15/05/333591505.db2.gz IMKIBORJFGESHB-MRXNPFEDSA-N 0 3 286.444 4.255 10 0 CIAEHN Clc1ccc2c(c1)CC[C@H]2N[C@H]1CCOc2ccccc21 ZINC000129706821 333790985 /nfs/dbraw/zinc/79/09/85/333790985.db2.gz CFLSCCUDMHKWRZ-SJORKVTESA-N 0 3 299.801 4.441 10 0 CIAEHN Clc1ccc2c(c1)CC[C@H]2N[C@@H]1CCOc2ccccc21 ZINC000129706590 333791029 /nfs/dbraw/zinc/79/10/29/333791029.db2.gz CFLSCCUDMHKWRZ-IAGOWNOFSA-N 0 3 299.801 4.441 10 0 CIAEHN C[C@@H](NCc1cc[nH]c1)c1ccc(Cl)c(Cl)c1 ZINC000080773317 334173247 /nfs/dbraw/zinc/17/32/47/334173247.db2.gz FEIJXOFYWDXWIL-SECBINFHSA-N 0 3 269.175 4.172 10 0 CIAEHN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000251347111 334360176 /nfs/dbraw/zinc/36/01/76/334360176.db2.gz FKTDIJTUJNGRLW-PZSREKOKSA-N 0 3 273.326 4.172 10 0 CIAEHN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000251493433 334362260 /nfs/dbraw/zinc/36/22/60/334362260.db2.gz DDIIYCWDEZWWIX-XNJJOIOASA-N 0 3 273.326 4.172 10 0 CIAEHN COc1ccc([C@H](C)N[C@H]2C[C@H]2c2ccccc2)cc1F ZINC000251701391 334367461 /nfs/dbraw/zinc/36/74/61/334367461.db2.gz NRTNFHCXSMZPQR-NUTKFTJISA-N 0 3 285.362 4.041 10 0 CIAEHN Cc1ccccc1[C@H](NCC[C@H](C)F)c1ccccc1 ZINC000577536486 335366212 /nfs/dbraw/zinc/36/62/12/335366212.db2.gz CWLYTLWBRXPUJR-MAUKXSAKSA-N 0 3 271.379 4.422 10 0 CIAEHN CC[C@H](NC[C@H]1CCCCC1(F)F)c1nccs1 ZINC000382273936 336085357 /nfs/dbraw/zinc/08/53/57/336085357.db2.gz YXOIRJOWOMFQOV-MNOVXSKESA-N 0 3 274.380 4.009 10 0 CIAEHN Cc1ccc([C@@H](NCCCF)c2ccccc2)c(C)c1 ZINC000383250842 336106416 /nfs/dbraw/zinc/10/64/16/336106416.db2.gz WQHSSMAOMSRQEE-SFHVURJKSA-N 0 3 271.379 4.342 10 0 CIAEHN CCCN[C@@H](C)c1cc(F)ccc1O[C@H](C)CC ZINC000048265003 519986894 /nfs/dbraw/zinc/98/68/94/519986894.db2.gz NGDJRKJPIYJRTN-NEPJUHHUSA-N 0 3 253.361 4.064 10 0 CIAEHN CCCN[C@H](C[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC000062786550 520086893 /nfs/dbraw/zinc/08/68/93/520086893.db2.gz MNLRXDJWBNZIKR-IUODEOHRSA-N 0 3 285.790 4.089 10 0 CIAEHN CCC[C@@H](N[C@H](C)c1ccccn1)c1cccs1 ZINC000049541020 520793635 /nfs/dbraw/zinc/79/36/35/520793635.db2.gz XIBSLKSRTOQQME-TZMCWYRMSA-N 0 3 260.406 4.335 10 0 CIAEHN CC(C)(C)C1CCN(c2cc(Cl)ccc2CN)CC1 ZINC000062787018 518609601 /nfs/dbraw/zinc/60/96/01/518609601.db2.gz FQGVZKDXMNVNHI-UHFFFAOYSA-N 0 3 280.843 4.061 10 0 CIAEHN CC(C)CCOCc1c(CN)sc2cccc(F)c21 ZINC000052624593 519669217 /nfs/dbraw/zinc/66/92/17/519669217.db2.gz PAHMWPYMCPVSIF-UHFFFAOYSA-N 0 3 281.396 4.062 10 0 CIAEHN CC(C)CNCc1cc(Cl)ccc1OC/C=C/Cl ZINC000062730927 519746611 /nfs/dbraw/zinc/74/66/11/519746611.db2.gz VWIPBGJWWITQMP-ZZXKWVIFSA-N 0 3 288.218 4.217 10 0 CIAEHN CC(C)c1ccc([C@](C)(N)c2ccccc2F)cc1 ZINC000055241305 519840463 /nfs/dbraw/zinc/84/04/63/519840463.db2.gz LGNIPULVDCNQES-KRWDZBQOSA-N 0 3 257.352 4.171 10 0 CIAEHN CCCN[C@@H](CCOC)c1cccc(Cl)c1Cl ZINC000055225890 520000715 /nfs/dbraw/zinc/00/07/15/520000715.db2.gz IRNWFEPXJIRKII-LBPRGKRZSA-N 0 3 276.207 4.071 10 0 CIAEHN CCCN[C@H](C)c1ccc(F)cc1OC/C=C/Cl ZINC000062747349 520064474 /nfs/dbraw/zinc/06/44/74/520064474.db2.gz VONNMDJRAUHDSC-TZOMUSMUSA-N 0 3 271.763 4.018 10 0 CIAEHN CCCN[C@H](C)c1nc2cccc(Cl)c2n1C(C)C ZINC000062366467 520067001 /nfs/dbraw/zinc/06/70/01/520067001.db2.gz VWKRHNGOOXPEID-LLVKDONJSA-N 0 3 279.815 4.331 10 0 CIAEHN CCN[C@@H](C1=CCCC1)c1cccc(OC(C)C)c1 ZINC000061666383 520081902 /nfs/dbraw/zinc/08/19/02/520081902.db2.gz FFLVXTPYMRPUCG-KRWDZBQOSA-N 0 3 259.393 4.235 10 0 CIAEHN CCCN[C@H](Cc1cccc(Cl)c1)c1ccco1 ZINC000052944590 520086642 /nfs/dbraw/zinc/08/66/42/520086642.db2.gz JTXNBNAUOYIFOF-CQSZACIVSA-N 0 3 263.768 4.216 10 0 CIAEHN CCCCCC[C@H](C)NC1=N[C@H](CC(C)C)CS1 ZINC000049221746 520130396 /nfs/dbraw/zinc/13/03/96/520130396.db2.gz VDXHCOYUOHOVKX-UONOGXRCSA-N 0 3 270.486 4.452 10 0 CIAEHN CCN[C@H](c1ccc(F)c(Cl)c1)c1ccccc1C ZINC000062792554 520208398 /nfs/dbraw/zinc/20/83/98/520208398.db2.gz ZNJMGGAVDJXMFQ-MRXNPFEDSA-N 0 3 277.770 4.486 10 0 CIAEHN CCC[C@H](N[C@H](C)c1ccncc1)c1cccs1 ZINC000049541023 521176206 /nfs/dbraw/zinc/17/62/06/521176206.db2.gz UBNAJZUOTFGOSR-OCCSQVGLSA-N 0 3 260.406 4.335 10 0 CIAEHN CCCc1ccc([C@H](N)c2ccc(F)c(C)c2)cc1 ZINC000055242068 521418759 /nfs/dbraw/zinc/41/87/59/521418759.db2.gz WNEXVOBXNSFGLT-KRWDZBQOSA-N 0 3 257.352 4.135 10 0 CIAEHN CC[C@@H](C)CN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000054468668 522000299 /nfs/dbraw/zinc/00/02/99/522000299.db2.gz KHYXCHZYLDWEHT-NOZJJQNGSA-N 0 3 288.218 4.453 10 0 CIAEHN CN[C@@H](C)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924077 522329453 /nfs/dbraw/zinc/32/94/53/522329453.db2.gz XHYBTUDGINFVTR-VIFPVBQESA-N 0 3 269.266 4.246 10 0 CIAEHN CN[C@@H](C)c1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000052924571 522329533 /nfs/dbraw/zinc/32/95/33/522329533.db2.gz IJEQWCINYXVNOV-QMMMGPOBSA-N 0 3 253.704 4.020 10 0 CIAEHN CN[C@@H](Cc1ccc(Cl)s1)c1ccc(F)cc1F ZINC000062774407 522358903 /nfs/dbraw/zinc/35/89/03/522358903.db2.gz DHIOMRIUYBUPDZ-LBPRGKRZSA-N 0 3 287.762 4.183 10 0 CIAEHN CN[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000054456024 522473132 /nfs/dbraw/zinc/47/31/32/522473132.db2.gz VMKYNGSUNDYBFE-GFCCVEGCSA-N 0 3 270.159 4.090 10 0 CIAEHN CN[C@H](c1cc(C)ccc1C)c1cc(C)ccc1F ZINC000052982104 522477010 /nfs/dbraw/zinc/47/70/10/522477010.db2.gz QEZTUSGFEOBFIP-QGZVFWFLSA-N 0 3 257.352 4.060 10 0 CIAEHN CC[C@@H](NCc1ccc(F)c(F)c1)c1cccs1 ZINC000042342286 522875852 /nfs/dbraw/zinc/87/58/52/522875852.db2.gz DCOMFVCXBOCOGD-CYBMUJFWSA-N 0 3 267.344 4.267 10 0 CIAEHN CC[C@H]1CCCC[C@@H]1NCc1nc2ccccc2s1 ZINC000049119241 523045539 /nfs/dbraw/zinc/04/55/39/523045539.db2.gz AQFGUAOTEUQTDJ-STQMWFEESA-N 0 3 274.433 4.355 10 0 CIAEHN Cc1cc(C)cc(N(C)c2ccc(Cl)cc2CN)c1 ZINC000052857690 524404936 /nfs/dbraw/zinc/40/49/36/524404936.db2.gz UQKUIASXYBRTCC-UHFFFAOYSA-N 0 3 274.795 4.183 10 0 CIAEHN Cc1cccc([C@@H](N)c2ccc(Cl)cc2F)c1C ZINC000062786115 524836051 /nfs/dbraw/zinc/83/60/51/524836051.db2.gz QOZCZRLYQROVQN-OAHLLOKOSA-N 0 3 263.743 4.144 10 0 CIAEHN Cc1cccc([C@@H](N)c2ccccc2C(F)(F)F)c1 ZINC000055233805 524836774 /nfs/dbraw/zinc/83/67/74/524836774.db2.gz KEZDXPRJSYKEPJ-CQSZACIVSA-N 0 3 265.278 4.062 10 0 CIAEHN Cc1cc(F)ccc1[C@H](N)c1ccc(C(C)C)cc1 ZINC000055205518 525009095 /nfs/dbraw/zinc/00/90/95/525009095.db2.gz ZYDLKBRQIYTLAN-QGZVFWFLSA-N 0 3 257.352 4.306 10 0 CIAEHN Cc1ccccc1CSc1cccc(F)c1[C@@H](C)N ZINC000054964179 525185400 /nfs/dbraw/zinc/18/54/00/525185400.db2.gz YXPAFFXOXXNPFY-GFCCVEGCSA-N 0 3 275.392 4.446 10 0 CIAEHN C[C@@H](NC1CC(F)(F)C1)c1ccccc1C(F)(F)F ZINC000277010784 525396878 /nfs/dbraw/zinc/39/68/78/525396878.db2.gz BWAZUPJYNNCNDH-MRVPVSSYSA-N 0 3 279.252 4.154 10 0 CIAEHN Cc1cc([C@@](C)(N)c2ccccc2Cl)ccc1F ZINC000055195960 525498798 /nfs/dbraw/zinc/49/87/98/525498798.db2.gz ADSTVRCERZOPHM-OAHLLOKOSA-N 0 3 263.743 4.010 10 0 CIAEHN Cc1ccc([C@H](C)NCc2cnn(C(C)(C)C)c2)c(C)c1 ZINC000037772169 525930379 /nfs/dbraw/zinc/93/03/79/525930379.db2.gz LFYQAKPLYWPHGD-HNNXBMFYSA-N 0 3 285.435 4.106 10 0 CIAEHN C[C@H](c1cccs1)N(C)c1ccc(Cl)cc1CN ZINC000052857264 526155678 /nfs/dbraw/zinc/15/56/78/526155678.db2.gz DPAAZVRRGGTOLI-SNVBAGLBSA-N 0 3 280.824 4.058 10 0 CIAEHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCOc3ccccc31)CC2 ZINC000126453545 526193860 /nfs/dbraw/zinc/19/38/60/526193860.db2.gz VZBKUWQGRTUUHK-ROUUACIJSA-N 0 3 279.383 4.096 10 0 CIAEHN Fc1cc(CN[C@H]2CCc3ccccc32)ccc1Cl ZINC000043388503 526299164 /nfs/dbraw/zinc/29/91/64/526299164.db2.gz BGFHZSVVJXFGFZ-INIZCTEOSA-N 0 3 275.754 4.256 10 0 CIAEHN Cc1nc(-c2ccc(Cl)cc2)sc1CNC1CC1 ZINC000052330826 526573520 /nfs/dbraw/zinc/57/35/20/526573520.db2.gz WBZULQFMKUKPSY-UHFFFAOYSA-N 0 3 278.808 4.024 10 0 CIAEHN Cc1oc(CNC(C)C)cc1CO[C@@H](C)CC(C)C ZINC000052603813 526775222 /nfs/dbraw/zinc/77/52/22/526775222.db2.gz PEAJGZNEYGUDBW-ZDUSSCGKSA-N 0 3 267.413 4.037 10 0 CIAEHN Cc1sc(CNCC(C)C)nc1-c1ccc(C)cc1 ZINC000061799581 526877939 /nfs/dbraw/zinc/87/79/39/526877939.db2.gz MDZDLCRGBBVJFV-UHFFFAOYSA-N 0 3 274.433 4.173 10 0 CIAEHN NCc1c(Cl)cccc1Sc1ccccc1F ZINC000052905326 527243501 /nfs/dbraw/zinc/24/35/01/527243501.db2.gz QQAUJMJQMDBIEO-UHFFFAOYSA-N 0 3 267.756 4.089 10 0 CIAEHN N[C@@H](c1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000055233777 527339536 /nfs/dbraw/zinc/33/95/36/527339536.db2.gz JOIIRVHVZCWDCP-ZDUSSCGKSA-N 0 3 285.696 4.407 10 0 CIAEHN N[C@H](c1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000055233776 527393063 /nfs/dbraw/zinc/39/30/63/527393063.db2.gz JOIIRVHVZCWDCP-CYBMUJFWSA-N 0 3 285.696 4.407 10 0 CIAEHN FC(F)(F)CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000130320230 527664587 /nfs/dbraw/zinc/66/45/87/527664587.db2.gz RYTYVKMDKPJQFC-CQSZACIVSA-N 0 3 283.293 4.301 10 0 CIAEHN FC(F)(F)c1cccc([C@@H](NCc2cc[nH]c2)C2CC2)c1 ZINC000094015127 527686405 /nfs/dbraw/zinc/68/64/05/527686405.db2.gz HSIABVRLYQVFTB-HNNXBMFYSA-N 0 3 294.320 4.274 10 0 CIAEHN Cc1cc2cc([C@H](N)C(C)C)oc2c(Br)c1 ZINC000083821404 567028473 /nfs/dbraw/zinc/02/84/73/567028473.db2.gz WXMNIJOGNLXOBY-GFCCVEGCSA-N 0 3 282.181 4.160 10 0 CIAEHN CC(C)C[C@@H](N)c1cc2cccc(Br)c2o1 ZINC000158999243 567143127 /nfs/dbraw/zinc/14/31/27/567143127.db2.gz BPFYNEGTURFAPC-LLVKDONJSA-N 0 3 282.181 4.241 10 0 CIAEHN CCN1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000073635995 567893224 /nfs/dbraw/zinc/89/32/24/567893224.db2.gz WJFIKGZELPJUNO-UHFFFAOYSA-N 0 3 270.376 4.060 10 0 CIAEHN CCN1CC=C(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000073638458 567893350 /nfs/dbraw/zinc/89/33/50/567893350.db2.gz VHHZBQMGBRLOIQ-UHFFFAOYSA-N 0 3 272.417 4.022 10 0 CIAEHN CNCc1ccc(Oc2ccc(F)cc2F)cc1Cl ZINC000234426486 570230648 /nfs/dbraw/zinc/23/06/48/570230648.db2.gz GFUWDQGWIQCCEK-UHFFFAOYSA-N 0 3 283.705 4.130 10 0 CIAEHN CC[C@@H](C)[C@@H](N)c1cc2c(cccc2Br)o1 ZINC000675081137 570368686 /nfs/dbraw/zinc/36/86/86/570368686.db2.gz IXHHHMWGVIOUMG-AMIZOPFISA-N 0 3 282.181 4.241 10 0 CIAEHN CC[C@H](C)[C@H](N)c1cc2c(cccc2Br)o1 ZINC000675081140 570368909 /nfs/dbraw/zinc/36/89/09/570368909.db2.gz IXHHHMWGVIOUMG-SDBXPKJASA-N 0 3 282.181 4.241 10 0 CIAEHN CC[C@H](C)[C@@H](N)c1cc2c(cccc2Br)o1 ZINC000675081138 570368928 /nfs/dbraw/zinc/36/89/28/570368928.db2.gz IXHHHMWGVIOUMG-ISVAXAHUSA-N 0 3 282.181 4.241 10 0 CIAEHN CCCc1nc(-c2cccc(C)c2)sc1CNC1CC1 ZINC000082427164 178002983 /nfs/dbraw/zinc/00/29/83/178002983.db2.gz FLCUZCIXBUGDLZ-UHFFFAOYSA-N 0 3 286.444 4.323 10 0 CIAEHN CC(C)c1nc(-c2ccccc2Cl)sc1CN ZINC000082429678 178006746 /nfs/dbraw/zinc/00/67/46/178006746.db2.gz AKUZWXJYNZNUIM-UHFFFAOYSA-N 0 3 266.797 4.046 10 0 CIAEHN CC(C)NCc1sc(CSC(C)C)nc1C(C)C ZINC000082430189 178008299 /nfs/dbraw/zinc/00/82/99/178008299.db2.gz QVQHCLBAEHMQSQ-UHFFFAOYSA-N 0 3 286.510 4.406 10 0 CIAEHN CCSCc1nc(C(C)C)c(CNC(C)C)s1 ZINC000082432672 178010530 /nfs/dbraw/zinc/01/05/30/178010530.db2.gz COOKEBQEMJVGHE-UHFFFAOYSA-N 0 3 272.483 4.018 10 0 CIAEHN CC[C@@H](NCc1cccn1CC)c1cccc(Cl)c1 ZINC000091023494 260265013 /nfs/dbraw/zinc/26/50/13/260265013.db2.gz ZUASIRCGTZRVGQ-MRXNPFEDSA-N 0 3 276.811 4.402 10 0 CIAEHN CCC(CC)[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000104434486 186000452 /nfs/dbraw/zinc/00/04/52/186000452.db2.gz UNJAIXZTHJUTBA-GHMZBOCLSA-N 0 3 255.352 4.440 10 0 CIAEHN C[C@@H]1CCC[C@]2(CSC(NCC3(C)CCCC3)=N2)C1 ZINC000104435040 186001583 /nfs/dbraw/zinc/00/15/83/186001583.db2.gz APNQHIMTPAKPML-CZUORRHYSA-N 0 3 280.481 4.208 10 0 CIAEHN 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