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)CC(C)(C)n1c(=O)c2ccccc2[nH]c1=S ZINC000007045569 170263721 /nfs/dbraw/zinc/26/37/21/170263721.db2.gz QJZKMEMUEGBZRM-UHFFFAOYSA-N 0 1 290.432 4.230 10 0 CIAEMN C[C@@H](NCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000020121861 171000990 /nfs/dbraw/zinc/00/09/90/171000990.db2.gz YFPIQGFISDXYQI-SNVBAGLBSA-N 0 1 281.733 4.469 10 0 CIAEMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)c(Cl)c1 ZINC000020363027 171161818 /nfs/dbraw/zinc/16/18/18/171161818.db2.gz YYUJFOLPXZVSLT-UHFFFAOYSA-N 0 1 296.153 4.260 10 0 CIAEMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000020363022 171161910 /nfs/dbraw/zinc/16/19/10/171161910.db2.gz STPQHYOXORFMMU-UHFFFAOYSA-N 0 1 296.153 4.260 10 0 CIAEMN CCCc1ccc([C@H](N)c2cc3ccccc3o2)cc1 ZINC000020369085 171166934 /nfs/dbraw/zinc/16/69/34/171166934.db2.gz KMURDLAQGQLZPM-SFHVURJKSA-N 0 1 265.356 4.433 10 0 CIAEMN CC(C)(C)C(=O)C=C(O)c1ccc2ccccc2c1 ZINC000020375723 171171328 /nfs/dbraw/zinc/17/13/28/171171328.db2.gz VTNRVVZRCRYXHG-UHFFFAOYSA-N 0 1 254.329 4.028 10 0 CIAEMN CC(C)c1n[nH]c(=S)n1-c1ccc(C(C)C)cc1 ZINC000020588872 171260596 /nfs/dbraw/zinc/26/05/96/171260596.db2.gz ADHVFZYTXAYUMV-UHFFFAOYSA-N 0 1 261.394 4.177 10 0 CIAEMN Cc1c2ccccc2oc1[C@H](N)c1ccc(C)c(C)c1 ZINC000020592902 171262370 /nfs/dbraw/zinc/26/23/70/171262370.db2.gz CFAXGBDZFNLJCA-QGZVFWFLSA-N 0 1 265.356 4.406 10 0 CIAEMN CCOc1ccc([C@@H](N)c2oc3ccccc3c2C)cc1 ZINC000020592894 171262450 /nfs/dbraw/zinc/26/24/50/171262450.db2.gz VAAPFYDYNAQHAG-QGZVFWFLSA-N 0 1 281.355 4.188 10 0 CIAEMN Cc1c2ccccc2oc1[C@H](N)c1cc(C)ccc1C ZINC000020592884 171262581 /nfs/dbraw/zinc/26/25/81/171262581.db2.gz BMYSKPXDMPSNBO-QGZVFWFLSA-N 0 1 265.356 4.406 10 0 CIAEMN CC(C)c1n[nH]c(SCc2cccc3ccccc32)n1 ZINC000021158886 171298513 /nfs/dbraw/zinc/29/85/13/171298513.db2.gz ACKQPSYCEPGEPG-UHFFFAOYSA-N 0 1 283.400 4.374 10 0 CIAEMN CC(C)c1nc(SCc2cccc3ccccc32)n[nH]1 ZINC000021158886 171298514 /nfs/dbraw/zinc/29/85/14/171298514.db2.gz ACKQPSYCEPGEPG-UHFFFAOYSA-N 0 1 283.400 4.374 10 0 CIAEMN C[C@@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000035141860 172009407 /nfs/dbraw/zinc/00/94/07/172009407.db2.gz QHLKFBCQGAMOBT-SECBINFHSA-N 0 1 269.772 4.391 10 0 CIAEMN CN[C@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035459372 172208653 /nfs/dbraw/zinc/20/86/53/172208653.db2.gz KOMSBOKONQTBEV-CYBMUJFWSA-N 0 1 269.772 4.158 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1OC ZINC000035464363 172212227 /nfs/dbraw/zinc/21/22/27/172212227.db2.gz FKKUIXIGQZIICB-OAHLLOKOSA-N 0 1 296.197 4.311 10 0 CIAEMN CN[C@@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035465452 172213243 /nfs/dbraw/zinc/21/32/43/172213243.db2.gz UYAJNBDQIIWTSM-AWEZNQCLSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@@H](c1ccc(C)cc1C)c1c(F)cccc1Cl ZINC000035468298 172217854 /nfs/dbraw/zinc/21/78/54/172217854.db2.gz OZFQKXBIXWIQSP-INIZCTEOSA-N 0 1 277.770 4.405 10 0 CIAEMN CN[C@@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035488298 172223165 /nfs/dbraw/zinc/22/31/65/172223165.db2.gz BLZSTFICPZZXPY-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035488321 172223261 /nfs/dbraw/zinc/22/32/61/172223261.db2.gz LMLMDIZROUSUDB-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000035494462 172227747 /nfs/dbraw/zinc/22/77/47/172227747.db2.gz JCUBZLDWNAOULI-CQSZACIVSA-N 0 1 285.696 4.066 10 0 CIAEMN CN[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035501584 172235891 /nfs/dbraw/zinc/23/58/91/172235891.db2.gz VLNLGNDVFQWHDN-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035502090 172236705 /nfs/dbraw/zinc/23/67/05/172236705.db2.gz UQAZZDFBQKCKLU-NSHDSACASA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035501816 172236779 /nfs/dbraw/zinc/23/67/79/172236779.db2.gz IGIXQELAXYPDLP-CYBMUJFWSA-N 0 1 270.159 4.204 10 0 CIAEMN CCN[C@@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035541173 172249185 /nfs/dbraw/zinc/24/91/85/172249185.db2.gz LHNDQQDZRQIFMV-INIZCTEOSA-N 0 1 277.770 4.486 10 0 CIAEMN CCN[C@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035543400 172250653 /nfs/dbraw/zinc/25/06/53/172250653.db2.gz ZVFWANNGJUXTGL-AWEZNQCLSA-N 0 1 267.344 4.034 10 0 CIAEMN CCN[C@@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035543398 172251285 /nfs/dbraw/zinc/25/12/85/172251285.db2.gz ZVFWANNGJUXTGL-CQSZACIVSA-N 0 1 267.344 4.034 10 0 CIAEMN Cc1ccccc1OCc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000035551866 172259483 /nfs/dbraw/zinc/25/94/83/172259483.db2.gz FPNDZIVKJRWWTR-UHFFFAOYSA-N 0 1 299.761 4.013 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035553322 172259946 /nfs/dbraw/zinc/25/99/46/172259946.db2.gz INGFCFURSBEPKR-ZDUSSCGKSA-N 0 1 287.762 4.379 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1occc1C ZINC000035552848 172260236 /nfs/dbraw/zinc/26/02/36/172260236.db2.gz MTHUQBTWEFZQCC-LLVKDONJSA-N 0 1 255.770 4.002 10 0 CIAEMN CCCN[C@H](c1ccsc1)c1cc(F)ccc1F ZINC000035580024 172275961 /nfs/dbraw/zinc/27/59/61/172275961.db2.gz RHIRIHACMOZJFU-CQSZACIVSA-N 0 1 267.344 4.115 10 0 CIAEMN CCCN[C@H](c1cccs1)c1c(F)cccc1F ZINC000035581236 172277472 /nfs/dbraw/zinc/27/74/72/172277472.db2.gz QTXDZKCYANMKRL-CQSZACIVSA-N 0 1 267.344 4.115 10 0 CIAEMN CCCN[C@H](c1ccco1)c1ccc(Cl)s1 ZINC000035583479 172282037 /nfs/dbraw/zinc/28/20/37/172282037.db2.gz BHJHBJAYVQRTRE-GFCCVEGCSA-N 0 1 255.770 4.084 10 0 CIAEMN COc1ccc([C@@H](N)c2oc3ccc(C)cc3c2C)cc1 ZINC000035630516 172312140 /nfs/dbraw/zinc/31/21/40/172312140.db2.gz KPMQODSZCNZPSH-QGZVFWFLSA-N 0 1 281.355 4.106 10 0 CIAEMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ccco1 ZINC000035738750 172392539 /nfs/dbraw/zinc/39/25/39/172392539.db2.gz CGQFKNNTUZSGBG-LRDDRELGSA-N 0 1 271.360 4.016 10 0 CIAEMN Cc1cc(C)c([C@H](C)N[C@@H](C)c2ccco2)c(C)n1 ZINC000037260490 173070672 /nfs/dbraw/zinc/07/06/72/173070672.db2.gz JABWOULWZKTUME-JSGCOSHPSA-N 0 1 258.365 4.012 10 0 CIAEMN CC(C)c1nn(C)cc1CN[C@H](C)c1ccc(Cl)s1 ZINC000037284766 173091542 /nfs/dbraw/zinc/09/15/42/173091542.db2.gz GWZZAXXRNKTXDI-SNVBAGLBSA-N 0 1 297.855 4.109 10 0 CIAEMN CC(C)(C)[C@H](N)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444394 173212211 /nfs/dbraw/zinc/21/22/11/173212211.db2.gz ODFWUHGCSKPQQS-CYBMUJFWSA-N 0 1 277.799 4.071 10 0 CIAEMN c1sc(CNCc2ccccn2)cc1-c1ccccc1 ZINC000038030720 174022214 /nfs/dbraw/zinc/02/22/14/174022214.db2.gz YKLCWDQJSBMTOR-UHFFFAOYSA-N 0 1 280.396 4.100 10 0 CIAEMN C[C@H](c1cccc(Cl)c1)N1CCc2c(N)cccc2C1 ZINC000038032661 174028269 /nfs/dbraw/zinc/02/82/69/174028269.db2.gz YZOVZGKNMRJPLN-GFCCVEGCSA-N 0 1 286.806 4.042 10 0 CIAEMN Cc1csc(CN[C@@H](C)c2c(C)cc(C)cc2C)n1 ZINC000038090686 174103808 /nfs/dbraw/zinc/10/38/08/174103808.db2.gz PMKGMNFISSHVOA-AWEZNQCLSA-N 0 1 274.433 4.228 10 0 CIAEMN Cc1ccc2oc([C@@H](N)Cc3ccsc3)cc2c1 ZINC000042893857 174903219 /nfs/dbraw/zinc/90/32/19/174903219.db2.gz ZMZXBXUFGHNMCH-ZDUSSCGKSA-N 0 1 257.358 4.045 10 0 CIAEMN Cc1ccc2oc([C@H](N)c3cc(C)ccc3C)cc2c1 ZINC000071406733 176156235 /nfs/dbraw/zinc/15/62/35/176156235.db2.gz RZOALEWAIUBNLR-GOSISDBHSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1ccc2oc([C@H](N)c3ccc(C)cc3C)cc2c1 ZINC000071406728 176156285 /nfs/dbraw/zinc/15/62/85/176156285.db2.gz PIALKKOJIUUETG-GOSISDBHSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1ccc2oc([C@H](N)c3ccc(C)c(C)c3)cc2c1 ZINC000071406823 176156433 /nfs/dbraw/zinc/15/64/33/176156433.db2.gz PRSKMIBQNPKGKS-GOSISDBHSA-N 0 1 265.356 4.406 10 0 CIAEMN COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ccc(C)o1 ZINC000036960130 260057791 /nfs/dbraw/zinc/05/77/91/260057791.db2.gz JUDFCUIITXJADT-GUYCJALGSA-N 0 1 285.387 4.325 10 0 CIAEMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ccc(C)o1 ZINC000036960128 260057947 /nfs/dbraw/zinc/05/79/47/260057947.db2.gz JUDFCUIITXJADT-SUMWQHHRSA-N 0 1 285.387 4.325 10 0 CIAEMN CCc1nc(C)c([C@H](C)N[C@H](C)c2ccc(C)o2)s1 ZINC000158100125 261158345 /nfs/dbraw/zinc/15/83/45/261158345.db2.gz OXUHMXAFSXQMQH-MNOVXSKESA-N 0 1 278.421 4.327 10 0 CIAEMN Cc1cncc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249631 262013028 /nfs/dbraw/zinc/01/30/28/262013028.db2.gz LHUUIWRNKGHSEW-NEPJUHHUSA-N 0 1 276.330 4.080 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1F ZINC000094837734 265263925 /nfs/dbraw/zinc/26/39/25/265263925.db2.gz QRWISHOGHWNRHE-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN COc1ccc(C)cc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000094952510 265277745 /nfs/dbraw/zinc/27/77/45/265277745.db2.gz PFPZSMYYDBPENG-CQSZACIVSA-N 0 1 287.378 4.302 10 0 CIAEMN C[C@H](N[C@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496838 265366752 /nfs/dbraw/zinc/36/67/52/265366752.db2.gz JAKVMOHDCBNLHY-BTDLBPIBSA-N 0 1 291.316 4.442 10 0 CIAEMN Cc1cncc([C@@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000184391300 327827692 /nfs/dbraw/zinc/82/76/92/327827692.db2.gz IALKXOKLWRQWSP-PBHICJAKSA-N 0 1 296.414 4.343 10 0 CIAEMN CC(C)n1nccc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000394658624 327909703 /nfs/dbraw/zinc/90/97/03/327909703.db2.gz YYDGYWSKZJKSMD-JTQLQIEISA-N 0 1 283.828 4.030 10 0 CIAEMN Fc1ccc2c(c1)nccc2N1CCC[C@@H](C(F)(F)F)C1 ZINC000172068298 335093489 /nfs/dbraw/zinc/09/34/89/335093489.db2.gz ZNJJXISLTWZHLC-SNVBAGLBSA-N 0 1 298.283 4.153 10 0 CIAEMN CCn1cncc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000090169933 327031544 /nfs/dbraw/zinc/03/15/44/327031544.db2.gz QIQNMMQKFJOTIK-JTQLQIEISA-N 0 1 298.217 4.061 10 0 CIAEMN C[C@@H](N)c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000041162283 327221421 /nfs/dbraw/zinc/22/14/21/327221421.db2.gz AQBPPZIIKYFQLM-LLVKDONJSA-N 0 1 292.407 4.401 10 0 CIAEMN NC1(c2noc(-c3cc4ccccc4s3)n2)CCCCC1 ZINC000048856754 327280315 /nfs/dbraw/zinc/28/03/15/327280315.db2.gz UQKFCTYNGIGNPG-UHFFFAOYSA-N 0 1 299.399 4.069 10 0 CIAEMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000035010140 328844112 /nfs/dbraw/zinc/84/41/12/328844112.db2.gz ABZCAOHIWSMGAM-LBPRGKRZSA-N 0 1 291.341 4.133 10 0 CIAEMN CCc1ccc([C@@H]2CCCC[N@H+]2CCc2cccnc2)o1 ZINC000172871125 329139453 /nfs/dbraw/zinc/13/94/53/329139453.db2.gz UUROSNFQKNWUSK-KRWDZBQOSA-N 0 1 284.403 4.007 10 0 CIAEMN CCC[C@@H](N[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000178662962 329201799 /nfs/dbraw/zinc/20/17/99/329201799.db2.gz FVSWHMOCXCFTRJ-DOTOQJQBSA-N 0 1 282.387 4.036 10 0 CIAEMN CC1(C)C[C@H](NCc2cccc(F)c2)c2ccccc2O1 ZINC000153000256 330638333 /nfs/dbraw/zinc/63/83/33/330638333.db2.gz UQFFIVROQAFMIG-INIZCTEOSA-N 0 1 285.362 4.218 10 0 CIAEMN C[C@@H](NCc1cccc(F)c1Cl)c1cccs1 ZINC000166331250 331306936 /nfs/dbraw/zinc/30/69/36/331306936.db2.gz RAVZZOVWMHGHET-SECBINFHSA-N 0 1 269.772 4.391 10 0 CIAEMN C[C@H](N[C@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000222225759 333177634 /nfs/dbraw/zinc/17/76/34/333177634.db2.gz TZMCBPDJNCNIAV-YUMQZZPRSA-N 0 1 294.222 4.289 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc(OCC3CC3)cc2)o1 ZINC000190691981 333209676 /nfs/dbraw/zinc/20/96/76/333209676.db2.gz HKIITTRZMOALPP-AWEZNQCLSA-N 0 1 285.387 4.228 10 0 CIAEMN COc1ccc(Cl)c(CN[C@H](C)c2cccs2)c1 ZINC000192179872 333231802 /nfs/dbraw/zinc/23/18/02/333231802.db2.gz NKNQUHSWAKLHOJ-SNVBAGLBSA-N 0 1 281.808 4.261 10 0 CIAEMN Cc1ccc(F)cc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000226506471 333263575 /nfs/dbraw/zinc/26/35/75/333263575.db2.gz XYAPRICBOFQGFR-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN Cc1cccc([C@@H](C)NCc2cc(F)c(F)cc2F)c1 ZINC000235202661 333366702 /nfs/dbraw/zinc/36/67/02/333366702.db2.gz XSQMVWHESCAACU-LLVKDONJSA-N 0 1 279.305 4.263 10 0 CIAEMN Cc1cc(Cl)cc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000339170676 335142104 /nfs/dbraw/zinc/14/21/04/335142104.db2.gz JROKBMQPZGNWRX-MRXNPFEDSA-N 0 1 287.790 4.262 10 0 CIAEMN FC(F)(F)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000075996750 334064859 /nfs/dbraw/zinc/06/48/59/334064859.db2.gz NNGOOMUSPVNYJE-UHFFFAOYSA-N 0 1 294.320 4.009 10 0 CIAEMN Cc1ccccc1[C@@H](C)NCc1cc(F)c(F)cc1F ZINC000135809827 334139005 /nfs/dbraw/zinc/13/90/05/334139005.db2.gz JUVFASCDAFASAJ-LLVKDONJSA-N 0 1 279.305 4.263 10 0 CIAEMN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000246832921 334270399 /nfs/dbraw/zinc/27/03/99/334270399.db2.gz BUCKZNWCAVLLNP-OYNCUSHFSA-N 0 1 294.247 4.273 10 0 CIAEMN C[C@@H](c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000246872048 334271051 /nfs/dbraw/zinc/27/10/51/334271051.db2.gz FOFVQYXFPLWDJZ-WFASDCNBSA-N 0 1 259.324 4.317 10 0 CIAEMN Cc1cc(CNc2nc3ccc(Cl)cc3s2)cs1 ZINC000381345792 336059998 /nfs/dbraw/zinc/05/99/98/336059998.db2.gz GPJIBEKEDMJGQP-UHFFFAOYSA-N 0 1 294.832 4.354 10 0 CIAEMN CN[C@@H](c1ccc(Cl)s1)c1cc(C)ccc1F ZINC000052982152 522366982 /nfs/dbraw/zinc/36/69/82/522366982.db2.gz XSDISNRGXZSSEU-CYBMUJFWSA-N 0 1 269.772 4.158 10 0 CIAEMN CN[C@H](c1cccc(OC)c1)c1cccc(Cl)c1Cl ZINC000055204971 522485580 /nfs/dbraw/zinc/48/55/80/522485580.db2.gz XNSNCFCYLXDCFJ-OAHLLOKOSA-N 0 1 296.197 4.311 10 0 CIAEMN CCCOc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738833 520427286 /nfs/dbraw/zinc/42/72/86/520427286.db2.gz KUCMVXVRQQRSSS-UONOGXRCSA-N 0 1 273.376 4.480 10 0 CIAEMN CCOc1ccccc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000037151157 521583825 /nfs/dbraw/zinc/58/38/25/521583825.db2.gz RHQLMXDJJUJNJU-KGLIPLIRSA-N 0 1 285.387 4.203 10 0 CIAEMN CCOc1ccccc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000037151152 521584331 /nfs/dbraw/zinc/58/43/31/521584331.db2.gz RHQLMXDJJUJNJU-KBPBESRZSA-N 0 1 285.387 4.203 10 0 CIAEMN CCC1(CC)CSC(N[C@H](C)c2ccsc2)=N1 ZINC000061365274 521690686 /nfs/dbraw/zinc/69/06/86/521690686.db2.gz ARMGDYJALLWRKP-SNVBAGLBSA-N 0 1 268.451 4.060 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1cc(C)ccc1F ZINC000052982032 522367622 /nfs/dbraw/zinc/36/76/22/522367622.db2.gz TXFYBRJXZXQOJL-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN COc1ccc(Cl)cc1[C@H](N)c1ccccc1Cl ZINC000055228247 524254212 /nfs/dbraw/zinc/25/42/12/524254212.db2.gz ICRXPGKPWUETLG-CQSZACIVSA-N 0 1 282.170 4.050 10 0 CIAEMN COc1ccc([C@H](C)N[C@@H](C)c2cccs2)c(F)c1 ZINC000037235216 525328934 /nfs/dbraw/zinc/32/89/34/525328934.db2.gz LMOAEHAMKYIOKE-QWRGUYRKSA-N 0 1 279.380 4.308 10 0 CIAEMN C[C@H](NCc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059180792 525478782 /nfs/dbraw/zinc/47/87/82/525478782.db2.gz BYDUELCPJXBKOT-JTQLQIEISA-N 0 1 280.462 4.353 10 0 CIAEMN C[C@@H](Nc1ccc(N)c2cnccc12)c1ccsc1 ZINC000061361296 525707178 /nfs/dbraw/zinc/70/71/78/525707178.db2.gz FPTWOTXDKZGPEM-SNVBAGLBSA-N 0 1 269.373 4.052 10 0 CIAEMN [O-]c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1Cl ZINC000061360389 526344995 /nfs/dbraw/zinc/34/49/95/526344995.db2.gz KZRIVPCOCLKPFK-ZDUSSCGKSA-N 0 1 293.819 4.274 10 0 CIAEMN Cc1csc(CN[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000126259402 526360451 /nfs/dbraw/zinc/36/04/51/526360451.db2.gz ONMKRNFQRXZASH-IAQYHMDHSA-N 0 1 272.417 4.180 10 0 CIAEMN Clc1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000034236290 570347427 /nfs/dbraw/zinc/34/74/27/570347427.db2.gz ZHEWVEUZEXJQTG-UHFFFAOYSA-N 0 1 277.154 4.461 10 0 CIAEMN C[C@H]1CCC[C@H](C)N1Cc1ccc(Br)cc1 ZINC000009997554 170393972 /nfs/dbraw/zinc/39/39/72/170393972.db2.gz PIGIKHPZCSTRDF-RYUDHWBXSA-N 0 1 282.225 4.212 10 0 CIAEMN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccncc1 ZINC000020121619 171001389 /nfs/dbraw/zinc/00/13/89/171001389.db2.gz SIADHMBFDLLQDV-SNVBAGLBSA-N 0 1 281.186 4.239 10 0 CIAEMN C[C@@H](NCc1nc2ccccc2s1)c1cccs1 ZINC000020136146 171023639 /nfs/dbraw/zinc/02/36/39/171023639.db2.gz NMFCBFAAQATEDQ-SNVBAGLBSA-N 0 1 274.414 4.209 10 0 CIAEMN Oc1ccc([C@H](NCc2cccs2)c2ccccc2)cc1 ZINC000020139073 171026054 /nfs/dbraw/zinc/02/60/54/171026054.db2.gz DPJHBPFYLAXWJA-GOSISDBHSA-N 0 1 295.407 4.333 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147866 171035571 /nfs/dbraw/zinc/03/55/71/171035571.db2.gz AYPBLVBURXRCAF-NEPJUHHUSA-N 0 1 261.315 4.377 10 0 CIAEMN Cc1cc(C)c([C@@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000020369070 171166901 /nfs/dbraw/zinc/16/69/01/171166901.db2.gz URGOCXFHGRYQBP-SFHVURJKSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1cc(C)c([C@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000020369073 171167037 /nfs/dbraw/zinc/16/70/37/171167037.db2.gz URGOCXFHGRYQBP-GOSISDBHSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020389680 171179277 /nfs/dbraw/zinc/17/92/77/171179277.db2.gz NAXOWCUZRYLVNU-INIZCTEOSA-N 0 1 271.747 4.443 10 0 CIAEMN CCc1ccc([C@H](N)c2oc3ccccc3c2C)cc1 ZINC000020592893 171262569 /nfs/dbraw/zinc/26/25/69/171262569.db2.gz NDLDNIDFWUNTGL-KRWDZBQOSA-N 0 1 265.356 4.352 10 0 CIAEMN Cc1ccc(CNCc2cc3ccccc3nc2Cl)cc1 ZINC000020967209 171282375 /nfs/dbraw/zinc/28/23/75/171282375.db2.gz ARFSJSCJUMIKQE-UHFFFAOYSA-N 0 1 296.801 4.486 10 0 CIAEMN COc1cccc(Sc2ccc(F)cc2CN(C)C)c1 ZINC000033900084 171825281 /nfs/dbraw/zinc/82/52/81/171825281.db2.gz MCBFSKQNMGYMQH-UHFFFAOYSA-N 0 1 291.391 4.047 10 0 CIAEMN C[C@H](NCc1ccc(F)c(Br)c1)c1ccco1 ZINC000035137064 172003963 /nfs/dbraw/zinc/00/39/63/172003963.db2.gz BAUFQDQZQBMAEG-VIFPVBQESA-N 0 1 298.155 4.032 10 0 CIAEMN CN[C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000035464006 172211324 /nfs/dbraw/zinc/21/13/24/172211324.db2.gz LFXMGTCGCRNANZ-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1occc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493381 172227231 /nfs/dbraw/zinc/22/72/31/172227231.db2.gz HXQNQQYTWRKNGX-HNNXBMFYSA-N 0 1 257.377 4.194 10 0 CIAEMN CN[C@H](c1ccc(C)o1)c1ccc(C(C)(C)C)cc1 ZINC000035493347 172227261 /nfs/dbraw/zinc/22/72/61/172227261.db2.gz ZPZHUQKMXATESE-INIZCTEOSA-N 0 1 257.377 4.194 10 0 CIAEMN CN[C@@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501450 172235551 /nfs/dbraw/zinc/23/55/51/172235551.db2.gz FAPAXWTUIYKKMU-CYBMUJFWSA-N 0 1 270.159 4.204 10 0 CIAEMN CN[C@@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501430 172235788 /nfs/dbraw/zinc/23/57/88/172235788.db2.gz QLHGEUOKFVTALH-CYBMUJFWSA-N 0 1 270.159 4.204 10 0 CIAEMN CN[C@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035501798 172236770 /nfs/dbraw/zinc/23/67/70/172236770.db2.gz RDDOZDNOHSNKGK-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CCN[C@@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035510218 172241337 /nfs/dbraw/zinc/24/13/37/172241337.db2.gz RPXKGQQMVPJMJV-AWEZNQCLSA-N 0 1 267.344 4.034 10 0 CIAEMN CCN[C@@H](c1ccccc1)c1c(F)cccc1Cl ZINC000035540682 172246785 /nfs/dbraw/zinc/24/67/85/172246785.db2.gz VVZMJJDUVJHFET-HNNXBMFYSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035545432 172253770 /nfs/dbraw/zinc/25/37/70/172253770.db2.gz CDPQWGDDNYELHL-ZDUSSCGKSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035557887 172263475 /nfs/dbraw/zinc/26/34/75/172263475.db2.gz CBTHMKHUSVXRBG-ZDUSSCGKSA-N 0 1 270.159 4.285 10 0 CIAEMN CCN[C@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035558825 172263999 /nfs/dbraw/zinc/26/39/99/172263999.db2.gz IQLIALKLLWZWQX-CQSZACIVSA-N 0 1 281.186 4.087 10 0 CIAEMN CCN[C@@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035558822 172264218 /nfs/dbraw/zinc/26/42/18/172264218.db2.gz IQLIALKLLWZWQX-AWEZNQCLSA-N 0 1 281.186 4.087 10 0 CIAEMN CCCN[C@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035573164 172269947 /nfs/dbraw/zinc/26/99/47/172269947.db2.gz APWMHNWYHIONSG-OAHLLOKOSA-N 0 1 281.371 4.424 10 0 CIAEMN CC(C)N[C@@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653138 172329515 /nfs/dbraw/zinc/32/95/15/172329515.db2.gz LSRGGVONSLCWQS-SECBINFHSA-N 0 1 294.609 4.468 10 0 CIAEMN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739043 172393503 /nfs/dbraw/zinc/39/35/03/172393503.db2.gz KHFVQDLXXRWNLF-QWRGUYRKSA-N 0 1 294.192 4.454 10 0 CIAEMN C[C@H]1[C@H](n2c(N)nc3cccc(Cl)c32)CCC[C@@H]1C ZINC000036899240 172789678 /nfs/dbraw/zinc/78/96/78/172789678.db2.gz HVURETIFOFNKIQ-OPQQBVKSSA-N 0 1 277.799 4.269 10 0 CIAEMN Cc1cc(C)c([C@@H](C)N[C@H](C)c2ccco2)c(C)n1 ZINC000037260492 173070654 /nfs/dbraw/zinc/07/06/54/173070654.db2.gz JABWOULWZKTUME-TZMCWYRMSA-N 0 1 258.365 4.012 10 0 CIAEMN CC(C)c1nn(C)cc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000037284765 173091874 /nfs/dbraw/zinc/09/18/74/173091874.db2.gz GWZZAXXRNKTXDI-JTQLQIEISA-N 0 1 297.855 4.109 10 0 CIAEMN Cc1nc2cc(N[C@@H](C)C3CCCCC3)ccc2[nH]1 ZINC000037318343 173118233 /nfs/dbraw/zinc/11/82/33/173118233.db2.gz VWMABWJVJFXNOS-NSHDSACASA-N 0 1 257.381 4.252 10 0 CIAEMN Cc1cc(C(=O)CN(C)C2CCCCCC2)c(C)s1 ZINC000037340252 173142134 /nfs/dbraw/zinc/14/21/34/173142134.db2.gz IXVHGFILWWNGPB-UHFFFAOYSA-N 0 1 279.449 4.202 10 0 CIAEMN CCc1ccc(C(=O)CN(C)C2CCCCCC2)s1 ZINC000037340250 173142312 /nfs/dbraw/zinc/14/23/12/173142312.db2.gz PECDLAZYWOCCSV-UHFFFAOYSA-N 0 1 279.449 4.148 10 0 CIAEMN N[C@H](c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1 ZINC000037379522 173167351 /nfs/dbraw/zinc/16/73/51/173167351.db2.gz VZDZZYOXQORKBB-JTQLQIEISA-N 0 1 294.153 4.381 10 0 CIAEMN CCC(CC)N(C)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000037415201 173191618 /nfs/dbraw/zinc/19/16/18/173191618.db2.gz AKADBDLHEXDAOF-UHFFFAOYSA-N 0 1 288.218 4.297 10 0 CIAEMN CCCN(C(C)C)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415034 173192041 /nfs/dbraw/zinc/19/20/41/173192041.db2.gz ZNIJREPDAGKHQC-LBPRGKRZSA-N 0 1 267.800 4.032 10 0 CIAEMN CCCn1c(CN[C@H](C)c2cccs2)nc2ccccc21 ZINC000038046683 174055226 /nfs/dbraw/zinc/05/52/26/174055226.db2.gz DSPZFPVXHBXWGJ-CYBMUJFWSA-N 0 1 299.443 4.359 10 0 CIAEMN C[N@@H+](CCC(=O)[O-])C1CCCCCCCCCCC1 ZINC000071738315 176257167 /nfs/dbraw/zinc/25/71/67/176257167.db2.gz QTCZEBDRVJOAGL-UHFFFAOYSA-N 0 1 269.429 4.066 10 0 CIAEMN C[C@H](NCc1ccncc1Cl)c1ccc(Cl)cc1 ZINC000088781293 260005068 /nfs/dbraw/zinc/00/50/68/260005068.db2.gz OCGPCPBWCWSYJB-JTQLQIEISA-N 0 1 281.186 4.239 10 0 CIAEMN CCc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000092195762 260267528 /nfs/dbraw/zinc/26/75/28/260267528.db2.gz UFOSUSCXHCRTCD-QWHCGFSZSA-N 0 1 272.367 4.195 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cncc(F)c1 ZINC000152352334 261063285 /nfs/dbraw/zinc/06/32/85/261063285.db2.gz RLBGGUBCTVGLQD-VHSXEESVSA-N 0 1 296.748 4.425 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000153178934 261074941 /nfs/dbraw/zinc/07/49/41/261074941.db2.gz XWHGQROVQFBPTI-STQMWFEESA-N 0 1 274.795 4.455 10 0 CIAEMN Cc1nc(CN[C@@H](C)c2ccc(C)cc2C)sc1C ZINC000153922844 261085184 /nfs/dbraw/zinc/08/51/84/261085184.db2.gz OLBKYILCAJBQQO-ZDUSSCGKSA-N 0 1 274.433 4.228 10 0 CIAEMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000186073918 262078108 /nfs/dbraw/zinc/07/81/08/262078108.db2.gz QEVBKHQIGLHIKL-NXEZZACHSA-N 0 1 297.370 4.447 10 0 CIAEMN CCn1c2ccccc2nc1[C@H](C)NCc1cccc(C)c1 ZINC000127066721 264238520 /nfs/dbraw/zinc/23/85/20/264238520.db2.gz IZJRJECFVYXDQW-HNNXBMFYSA-N 0 1 293.414 4.215 10 0 CIAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1cccc(C)c1 ZINC000127066509 264247913 /nfs/dbraw/zinc/24/79/13/264247913.db2.gz IZJRJECFVYXDQW-OAHLLOKOSA-N 0 1 293.414 4.215 10 0 CIAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(C)cc1 ZINC000127065087 264247939 /nfs/dbraw/zinc/24/79/39/264247939.db2.gz HPGQMDVUKFWLMQ-OAHLLOKOSA-N 0 1 293.414 4.215 10 0 CIAEMN C[C@H](NCc1cc(F)ccc1Cl)c1cccs1 ZINC000098060135 265642575 /nfs/dbraw/zinc/64/25/75/265642575.db2.gz LABFYHSAQVWJDS-VIFPVBQESA-N 0 1 269.772 4.391 10 0 CIAEMN Fc1cc2cccnc2c(CN2CCC[C@H]2c2ccco2)c1 ZINC000116289348 267136598 /nfs/dbraw/zinc/13/65/98/267136598.db2.gz VHTLWBLUGBNHKV-INIZCTEOSA-N 0 1 296.345 4.304 10 0 CIAEMN CCOc1ccccc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000049577265 328372630 /nfs/dbraw/zinc/37/26/30/328372630.db2.gz FYFOQYLLIJGZKI-LBPRGKRZSA-N 0 1 291.341 4.214 10 0 CIAEMN CC(C)c1ccc([C@H](C)N[C@@H](C)c2cnccn2)cc1 ZINC000070478515 326917235 /nfs/dbraw/zinc/91/72/35/326917235.db2.gz XVGGEMPHMYECEU-KBPBESRZSA-N 0 1 269.392 4.012 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)c(C)c1 ZINC000054375472 328692396 /nfs/dbraw/zinc/69/23/96/328692396.db2.gz DXCUJFVXJCORMD-CQSZACIVSA-N 0 1 279.387 4.031 10 0 CIAEMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](CC(C)C)C2)o1 ZINC000300524345 332821460 /nfs/dbraw/zinc/82/14/60/332821460.db2.gz VYUXAHXSIQIVOE-RRFJBIMHSA-N 0 1 264.413 4.239 10 0 CIAEMN Cc1ccc(CN[C@H]2CCOc3ccccc32)cc1Cl ZINC000193732247 329061371 /nfs/dbraw/zinc/06/13/71/329061371.db2.gz OSKSWWMDZVSJKL-INIZCTEOSA-N 0 1 287.790 4.262 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000090964076 330397351 /nfs/dbraw/zinc/39/73/51/330397351.db2.gz JXDWNZJXCXNZNG-WBMJQRKESA-N 0 1 273.351 4.455 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000090964075 330397366 /nfs/dbraw/zinc/39/73/66/330397366.db2.gz JXDWNZJXCXNZNG-BLLLJJGKSA-N 0 1 273.351 4.455 10 0 CIAEMN C[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964338 330397382 /nfs/dbraw/zinc/39/73/82/330397382.db2.gz CDYTYLCJXSJFPD-NHYWBVRUSA-N 0 1 259.324 4.147 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)c1cccs1 ZINC000480327251 331767977 /nfs/dbraw/zinc/76/79/77/331767977.db2.gz LOPULCWXBBRSOU-VHSXEESVSA-N 0 1 266.797 4.208 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1cccs1 ZINC000480327249 331768228 /nfs/dbraw/zinc/76/82/28/331768228.db2.gz LOPULCWXBBRSOU-NXEZZACHSA-N 0 1 266.797 4.208 10 0 CIAEMN Cc1ccc([C@H](C)NCc2cc(F)c(F)c(F)c2)cc1F ZINC000088511460 333089649 /nfs/dbraw/zinc/08/96/49/333089649.db2.gz SSDDWFVBCSYEPT-JTQLQIEISA-N 0 1 297.295 4.402 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2ccc(OCC3CC3)cc2)o1 ZINC000190691959 333209728 /nfs/dbraw/zinc/20/97/28/333209728.db2.gz HKIITTRZMOALPP-CQSZACIVSA-N 0 1 285.387 4.228 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959957 333437371 /nfs/dbraw/zinc/43/73/71/333437371.db2.gz OTOFMYODEHSYPR-ZIAGYGMSSA-N 0 1 269.388 4.489 10 0 CIAEMN CCC1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126084929 333590486 /nfs/dbraw/zinc/59/04/86/333590486.db2.gz XANMSSCGOBRFJB-PREGVCBESA-N 0 1 283.419 4.058 10 0 CIAEMN CC[C@H](COC)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735372 334161363 /nfs/dbraw/zinc/16/13/63/334161363.db2.gz CLEMCNZEKFCHBW-RKDXNWHRSA-N 0 1 294.197 4.208 10 0 CIAEMN CCN[C@@H](c1cc(C)oc1C)c1cc(C)ccc1F ZINC000052982749 520108097 /nfs/dbraw/zinc/10/80/97/520108097.db2.gz ASKARFYPCYLKDX-INIZCTEOSA-N 0 1 261.340 4.043 10 0 CIAEMN CCCC[C@H](C)n1c(N)nc2cc(Br)ccc21 ZINC000050889838 521153947 /nfs/dbraw/zinc/15/39/47/521153947.db2.gz NMHCSNUAGZCCSI-VIFPVBQESA-N 0 1 296.212 4.132 10 0 CIAEMN CC(C)[C@@H](c1cccs1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601110 519801615 /nfs/dbraw/zinc/80/16/15/519801615.db2.gz OEUOVNWIUMBIDQ-ZENOOKHLSA-N 0 1 277.433 4.031 10 0 CIAEMN CCN[C@@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062792569 520109399 /nfs/dbraw/zinc/10/93/99/520109399.db2.gz WJXZDVXXMYULLR-HNNXBMFYSA-N 0 1 281.733 4.317 10 0 CIAEMN CCCCCC[C@@H](C)OCc1csc(CNCC)n1 ZINC000052630695 520119935 /nfs/dbraw/zinc/11/99/35/520119935.db2.gz JBHBQZYLTFVXTB-CYBMUJFWSA-N 0 1 284.469 4.128 10 0 CIAEMN CCC[C@@H](NC1=NC(C)(C)CS1)c1cccs1 ZINC000049546542 520768903 /nfs/dbraw/zinc/76/89/03/520768903.db2.gz SAQYTOAYZDDXFO-SNVBAGLBSA-N 0 1 268.451 4.060 10 0 CIAEMN CCC[C@H](c1cccs1)n1c(N)nc2ccccc21 ZINC000049546485 521196272 /nfs/dbraw/zinc/19/62/72/521196272.db2.gz NABDOMLWRCIQFC-CYBMUJFWSA-N 0 1 271.389 4.070 10 0 CIAEMN CCOC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=S ZINC000045928697 521420492 /nfs/dbraw/zinc/42/04/92/521420492.db2.gz UZNGYPWIYKQLBE-UHFFFAOYSA-N 0 1 281.764 4.036 10 0 CIAEMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000037151154 521572598 /nfs/dbraw/zinc/57/25/98/521572598.db2.gz RHQLMXDJJUJNJU-ZIAGYGMSSA-N 0 1 285.387 4.203 10 0 CIAEMN CN[C@@H](c1nc(C(C)C)cs1)c1ccc(F)cc1C ZINC000050580411 522376034 /nfs/dbraw/zinc/37/60/34/522376034.db2.gz DXCMNHPSKFIFLZ-CQSZACIVSA-N 0 1 278.396 4.023 10 0 CIAEMN COc1ccc2c(c1)nccc2Nc1cccc(C)c1 ZINC000054202358 525607128 /nfs/dbraw/zinc/60/71/28/525607128.db2.gz NIDSAXHMUPXQNM-UHFFFAOYSA-N 0 1 264.328 4.295 10 0 CIAEMN Cc1ccc([C@H](C)NC2=N[C@H](CC(C)C)CS2)s1 ZINC000049185395 525915010 /nfs/dbraw/zinc/91/50/10/525915010.db2.gz LFNLFJLLORYVDF-NWDGAFQWSA-N 0 1 282.478 4.225 10 0 CIAEMN Cc1nccc(N[C@@H](C)c2cccs2)c1Cl ZINC000309318480 527351156 /nfs/dbraw/zinc/35/11/56/527351156.db2.gz GMZQDWPDYCYVPZ-QMMMGPOBSA-N 0 1 252.770 4.278 10 0 CIAEMN C[C@H](N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003708682 567853662 /nfs/dbraw/zinc/85/36/62/567853662.db2.gz ZIEXJKLUPORUCR-LURJTMIESA-N 0 1 273.188 4.137 10 0 CIAEMN C[C@H]1[C@H](n2c(=O)c3ccccc3[nH]c2=S)CCC[C@@H]1C ZINC000003911655 567854573 /nfs/dbraw/zinc/85/45/73/567854573.db2.gz CVVSRXDHFVSJEK-MISXGVKJSA-N 0 1 288.416 4.056 10 0 CIAEMN COc1ccccc1CN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504898 178069200 /nfs/dbraw/zinc/06/92/00/178069200.db2.gz MAICWXCBVMFHJV-MRXNPFEDSA-N 0 1 297.398 4.087 10 0 CIAEMN Brc1ccc2nc(Nc3ccccc3)[nH]c2c1 ZINC000082740645 178263728 /nfs/dbraw/zinc/26/37/28/178263728.db2.gz KZLQVTKMRKYKRF-UHFFFAOYSA-N 0 1 288.148 4.069 10 0 CIAEMN Clc1ccc(-c2cnc(CNC3CC3)s2)c(Cl)c1 ZINC000083240117 178366548 /nfs/dbraw/zinc/36/65/48/178366548.db2.gz BTFRLWMGBVDZHD-UHFFFAOYSA-N 0 1 299.226 4.369 10 0 CIAEMN CC(C)c1ccc(-c2cnc(CNC3CC3)s2)cc1 ZINC000083240821 178366791 /nfs/dbraw/zinc/36/67/91/178366791.db2.gz HVJHONNPXQULJV-UHFFFAOYSA-N 0 1 272.417 4.186 10 0 CIAEMN CCCCn1c(N)c(C2CCCCC2)nc1C1CC1 ZINC000103501477 185845448 /nfs/dbraw/zinc/84/54/48/185845448.db2.gz LNTUBLHFMCYCPO-UHFFFAOYSA-N 0 1 261.413 4.191 10 0 CIAEMN CCCCn1c(N)c(C2CC2)nc1C1CCCCC1 ZINC000103502000 185847278 /nfs/dbraw/zinc/84/72/78/185847278.db2.gz LSZAIOUCSXYMQP-UHFFFAOYSA-N 0 1 261.413 4.191 10 0 CIAEMN CCCCCN(CC(=O)c1cc(C)sc1C)C(C)C ZINC000104158694 185913779 /nfs/dbraw/zinc/91/37/79/185913779.db2.gz XYPRHOFUVWABRX-UHFFFAOYSA-N 0 1 281.465 4.448 10 0 CIAEMN CCOc1cccc(-c2nc(-c3ccccc3CC)n[nH]2)c1 ZINC000005956801 170162121 /nfs/dbraw/zinc/16/21/21/170162121.db2.gz OQIXMBRLORCZDL-UHFFFAOYSA-N 0 1 293.370 4.100 10 0 CIAEMN CCOc1cccc(-c2n[nH]c(-c3ccccc3CC)n2)c1 ZINC000005956801 170162124 /nfs/dbraw/zinc/16/21/24/170162124.db2.gz OQIXMBRLORCZDL-UHFFFAOYSA-N 0 1 293.370 4.100 10 0 CIAEMN COc1ccc2nc(-c3ccc(C(C)C)cc3)[nH]c2c1 ZINC000006952509 170258845 /nfs/dbraw/zinc/25/88/45/170258845.db2.gz NBPWXLLZQHZEBB-UHFFFAOYSA-N 0 1 266.344 4.362 10 0 CIAEMN Cc1ccc(-c2n[nH]c(-c3ccccc3Cl)n2)cc1 ZINC000008550628 170339919 /nfs/dbraw/zinc/33/99/19/170339919.db2.gz UJBORAVMXAQDBE-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN COc1ccc([C@@H](C)N[C@@H](C)c2cccs2)c(OC)c1 ZINC000020148486 171037194 /nfs/dbraw/zinc/03/71/94/171037194.db2.gz JHXJDWABSAJYON-NEPJUHHUSA-N 0 1 291.416 4.177 10 0 CIAEMN CCc1ccc([C@H](N)c2cc3ccccc3o2)cc1 ZINC000020369119 171167202 /nfs/dbraw/zinc/16/72/02/171167202.db2.gz GIEILNYBZTVBPY-KRWDZBQOSA-N 0 1 251.329 4.043 10 0 CIAEMN Cc1ccc(C)c([C@@H](N)c2cc3ccccc3o2)c1 ZINC000020369058 171167231 /nfs/dbraw/zinc/16/72/31/171167231.db2.gz QXUAXUIBPCQLCB-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN CCCCc1ccc2[nH]c(O)c(-c3ccccc3)c(=O)c2c1 ZINC000020428310 171193702 /nfs/dbraw/zinc/19/37/02/171193702.db2.gz ZNFNAJSGSKAZSJ-UHFFFAOYSA-N 0 1 293.366 4.243 10 0 CIAEMN Clc1nc2ccccc2cc1CNCc1ccccc1 ZINC000020935354 171281805 /nfs/dbraw/zinc/28/18/05/171281805.db2.gz HJAVCVQWTOQMRZ-UHFFFAOYSA-N 0 1 282.774 4.178 10 0 CIAEMN CSCCCNc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000021049651 171294904 /nfs/dbraw/zinc/29/49/04/171294904.db2.gz DMBARZHAQNUMAM-UHFFFAOYSA-N 0 1 277.437 4.025 10 0 CIAEMN CSCCCNc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000021049651 171294905 /nfs/dbraw/zinc/29/49/05/171294905.db2.gz DMBARZHAQNUMAM-UHFFFAOYSA-N 0 1 277.437 4.025 10 0 CIAEMN CC(C)c1ccccc1NC(=O)c1ccc(Cl)cc1O ZINC000021518576 171314690 /nfs/dbraw/zinc/31/46/90/171314690.db2.gz LLZJKCSLBGEEJK-UHFFFAOYSA-N 0 1 289.762 4.421 10 0 CIAEMN N[C@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035382452 172165285 /nfs/dbraw/zinc/16/52/85/172165285.db2.gz GXWCKDRXNGPWCH-MRVPVSSYSA-N 0 1 264.202 4.165 10 0 CIAEMN CN[C@@H](c1ccc(C)cc1)c1cc(Cl)ccc1F ZINC000035466205 172213529 /nfs/dbraw/zinc/21/35/29/172213529.db2.gz YQTVFLAIBMRGCD-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035488300 172223236 /nfs/dbraw/zinc/22/32/36/172223236.db2.gz BLZSTFICPZZXPY-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1cc(C)ccc1C)c1c(F)cccc1Cl ZINC000035490119 172225019 /nfs/dbraw/zinc/22/50/19/172225019.db2.gz IBJKJGPBWMPNBG-MRXNPFEDSA-N 0 1 277.770 4.405 10 0 CIAEMN CCc1ccc([C@@H](NC)c2cc(Cl)ccc2F)cc1 ZINC000035495090 172227680 /nfs/dbraw/zinc/22/76/80/172227680.db2.gz AQICRWFZALZNTR-MRXNPFEDSA-N 0 1 277.770 4.350 10 0 CIAEMN CCOc1ccccc1[C@H](NC)c1ccc(Cl)s1 ZINC000035498402 172232144 /nfs/dbraw/zinc/23/21/44/172232144.db2.gz OPXVLJBQSSDDHH-AWEZNQCLSA-N 0 1 281.808 4.109 10 0 CIAEMN CCN[C@H](c1occc1C)c1ccc(Br)cc1 ZINC000035538793 172245774 /nfs/dbraw/zinc/24/57/74/172245774.db2.gz AJLBWEUHZPTKBI-ZDUSSCGKSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035540574 172246908 /nfs/dbraw/zinc/24/69/08/172246908.db2.gz VMLIRPYCOOUMRM-OAHLLOKOSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@@H](c1cccs1)c1c(F)cccc1Cl ZINC000035545708 172253519 /nfs/dbraw/zinc/25/35/19/172253519.db2.gz NMXVGSAYVVUKNZ-ZDUSSCGKSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035553396 172260395 /nfs/dbraw/zinc/26/03/95/172260395.db2.gz DPNNVHIPIONMSL-CYBMUJFWSA-N 0 1 269.772 4.240 10 0 CIAEMN CCCN[C@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035580947 172276737 /nfs/dbraw/zinc/27/67/37/172276737.db2.gz SBTPCOCIHOSSTI-SNVBAGLBSA-N 0 1 285.231 4.097 10 0 CIAEMN CCCN[C@@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035583474 172281559 /nfs/dbraw/zinc/28/15/59/172281559.db2.gz URMUKYWKGNXOHD-ZDUSSCGKSA-N 0 1 269.797 4.392 10 0 CIAEMN CCCN[C@@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035585534 172284629 /nfs/dbraw/zinc/28/46/29/172284629.db2.gz WMOLYAWOOWIERN-ONGXEEELSA-N 0 1 294.247 4.275 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738703 172392455 /nfs/dbraw/zinc/39/24/55/172392455.db2.gz GPSSIDHMSWWROO-NXEZZACHSA-N 0 1 267.731 4.484 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738627 172392801 /nfs/dbraw/zinc/39/28/01/172392801.db2.gz NSSLKCBDHZZBQA-CHWSQXEVSA-N 0 1 255.361 4.180 10 0 CIAEMN CC(C)CC(CC(C)C)Nc1ccc2c[nH]nc2c1 ZINC000037134103 172975412 /nfs/dbraw/zinc/97/54/12/172975412.db2.gz XKTIJEICWIBRAU-UHFFFAOYSA-N 0 1 259.397 4.436 10 0 CIAEMN N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000037239311 173056321 /nfs/dbraw/zinc/05/63/21/173056321.db2.gz DTYSJKVQDHGWHV-LBPRGKRZSA-N 0 1 288.803 4.192 10 0 CIAEMN CC(C)[C@@H](Nc1ccc2c[nH]nc2c1)c1cccs1 ZINC000037317202 173117496 /nfs/dbraw/zinc/11/74/96/173117496.db2.gz BELHBBLUHOVOSF-OAHLLOKOSA-N 0 1 271.389 4.434 10 0 CIAEMN CCN[C@@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076784508 177091856 /nfs/dbraw/zinc/09/18/56/177091856.db2.gz WGCFFQVHQSMBIH-JTQLQIEISA-N 0 1 280.824 4.058 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168869 261159732 /nfs/dbraw/zinc/15/97/32/261159732.db2.gz MLEJYKHVOPBDPE-STQMWFEESA-N 0 1 290.382 4.205 10 0 CIAEMN COc1ccccc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000019903281 262205680 /nfs/dbraw/zinc/20/56/80/262205680.db2.gz WSGHARCFCRZBPZ-LBPRGKRZSA-N 0 1 275.779 4.199 10 0 CIAEMN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(C)cc1 ZINC000127065317 264247910 /nfs/dbraw/zinc/24/79/10/264247910.db2.gz HPGQMDVUKFWLMQ-HNNXBMFYSA-N 0 1 293.414 4.215 10 0 CIAEMN COc1cccc(CN[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000178591481 327736664 /nfs/dbraw/zinc/73/66/64/327736664.db2.gz WUUPMHUYXGSSOX-CQSZACIVSA-N 0 1 284.403 4.064 10 0 CIAEMN Cc1cc(CN[C@@H]2CC(C)(C)Oc3ccccc32)cs1 ZINC000394480921 327542005 /nfs/dbraw/zinc/54/20/05/327542005.db2.gz LEAHSGCGFNCDFL-OAHLLOKOSA-N 0 1 287.428 4.449 10 0 CIAEMN COc1ccccc1[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC000043388427 328789233 /nfs/dbraw/zinc/78/92/33/328789233.db2.gz KYPWOLXCGAMYNQ-LLVKDONJSA-N 0 1 293.769 4.339 10 0 CIAEMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C[C@@H](C)C1 ZINC000263176729 330047446 /nfs/dbraw/zinc/04/74/46/330047446.db2.gz STTWYUUHQIMDGX-VVLHAWIVSA-N 0 1 295.467 4.026 10 0 CIAEMN Cc1ccc(F)c(CN[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000116911967 330361250 /nfs/dbraw/zinc/36/12/50/330361250.db2.gz OODUMHQEDJOXLR-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN CC[C@@H](CN[C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789843 333061412 /nfs/dbraw/zinc/06/14/12/333061412.db2.gz DJRSACFLIBWFLL-BDAKNGLRSA-N 0 1 294.197 4.208 10 0 CIAEMN Fc1ccc2c(c1)[C@H](N1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673185 333061539 /nfs/dbraw/zinc/06/15/39/333061539.db2.gz YMFBSBMEODPJNW-SMDDNHRTSA-N 0 1 287.300 4.087 10 0 CIAEMN CCc1ccc([C@@H](C)NCc2ccncc2Cl)cc1 ZINC000088781218 333092040 /nfs/dbraw/zinc/09/20/40/333092040.db2.gz HOTNKCHJXJMSTD-GFCCVEGCSA-N 0 1 274.795 4.148 10 0 CIAEMN CC(C)C[C@@H](CO)N[C@@H](C)c1cc(Cl)sc1Cl ZINC000222604627 333197653 /nfs/dbraw/zinc/19/76/53/333197653.db2.gz CWKNCHMUOSBPQQ-IUCAKERBSA-N 0 1 296.263 4.113 10 0 CIAEMN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H](CC(C)C)C2)o1 ZINC000232609399 333339255 /nfs/dbraw/zinc/33/92/55/333339255.db2.gz VYUXAHXSIQIVOE-KKUMJFAQSA-N 0 1 264.413 4.239 10 0 CIAEMN CC1(C)CCc2ccccc2[C@H]1NCc1ccco1 ZINC000130157352 333819965 /nfs/dbraw/zinc/81/99/65/333819965.db2.gz DQORXLZEWZOCQJ-MRXNPFEDSA-N 0 1 255.361 4.083 10 0 CIAEMN CC(C)c1ccc([C@H](C)NCc2cn3ccccc3n2)cc1 ZINC000072822664 333962628 /nfs/dbraw/zinc/96/26/28/333962628.db2.gz MFGBOAQRGLKOIS-HNNXBMFYSA-N 0 1 293.414 4.309 10 0 CIAEMN Cc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1F ZINC000384526427 336124997 /nfs/dbraw/zinc/12/49/97/336124997.db2.gz YMISVEGKETVMKY-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN CC(C)c1ccc([C@H](C)NCc2cncc(F)c2)cc1 ZINC000275178663 519839952 /nfs/dbraw/zinc/83/99/52/519839952.db2.gz MPJDQYYQSLZDJY-ZDUSSCGKSA-N 0 1 272.367 4.195 10 0 CIAEMN CCNCc1csc(CSc2ccc(Cl)cc2)n1 ZINC000062214587 520018310 /nfs/dbraw/zinc/01/83/10/520018310.db2.gz CMDGBMRULLEMSP-UHFFFAOYSA-N 0 1 298.864 4.198 10 0 CIAEMN CCCN[C@H](c1ccc(C)nc1)c1ccccc1Cl ZINC000062950302 520087990 /nfs/dbraw/zinc/08/79/90/520087990.db2.gz PXKJXGCCEGCMGW-MRXNPFEDSA-N 0 1 274.795 4.132 10 0 CIAEMN CCN[C@H](c1csc2ccccc12)c1nc(C)cs1 ZINC000054465624 520211725 /nfs/dbraw/zinc/21/17/25/520211725.db2.gz WTNXEMIPYWADSJ-CQSZACIVSA-N 0 1 288.441 4.365 10 0 CIAEMN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000037151149 521573282 /nfs/dbraw/zinc/57/32/82/521573282.db2.gz RHQLMXDJJUJNJU-UONOGXRCSA-N 0 1 285.387 4.203 10 0 CIAEMN CN[C@@H](c1cccc(OC)c1)c1cccc(Cl)c1Cl ZINC000055204969 522373276 /nfs/dbraw/zinc/37/32/76/522373276.db2.gz XNSNCFCYLXDCFJ-HNNXBMFYSA-N 0 1 296.197 4.311 10 0 CIAEMN CCc1ccc(C[C@H](N)c2cc3ccccc3o2)s1 ZINC000062797567 523951855 /nfs/dbraw/zinc/95/18/55/523951855.db2.gz HYJFQQIPRLRDLV-AWEZNQCLSA-N 0 1 271.385 4.299 10 0 CIAEMN COc1ccc(Cl)cc1[C@@H](N)c1ccccc1Cl ZINC000055228249 524251399 /nfs/dbraw/zinc/25/13/99/524251399.db2.gz ICRXPGKPWUETLG-AWEZNQCLSA-N 0 1 282.170 4.050 10 0 CIAEMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1OC ZINC000036960582 525329035 /nfs/dbraw/zinc/32/90/35/525329035.db2.gz BHFZMTGOKGAKRZ-STQMWFEESA-N 0 1 289.375 4.017 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000120367826 525418026 /nfs/dbraw/zinc/41/80/26/525418026.db2.gz IAKMNEBOTWIEEU-LSDHHAIUSA-N 0 1 293.414 4.294 10 0 CIAEMN Cc1cccnc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000071339586 525525140 /nfs/dbraw/zinc/52/51/40/525525140.db2.gz GGIMNWGZNKYPFP-NSHDSACASA-N 0 1 278.758 4.033 10 0 CIAEMN Cc1cccnc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000071339587 525525502 /nfs/dbraw/zinc/52/55/02/525525502.db2.gz GGIMNWGZNKYPFP-LLVKDONJSA-N 0 1 278.758 4.033 10 0 CIAEMN C[C@@H](NCc1cncs1)c1ccc(C(C)(C)C)cc1 ZINC000054770581 525554344 /nfs/dbraw/zinc/55/43/44/525554344.db2.gz UWEIEMAZKZHURS-GFCCVEGCSA-N 0 1 274.433 4.291 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953187 525942331 /nfs/dbraw/zinc/94/23/31/525942331.db2.gz YKXWIJPEJUXVRF-MNOVXSKESA-N 0 1 265.303 4.278 10 0 CIAEMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC1CCCCC1 ZINC000262749128 526290245 /nfs/dbraw/zinc/29/02/45/526290245.db2.gz BMGZNNFEWQCZJK-BBWFWOEESA-N 0 1 293.451 4.065 10 0 CIAEMN Cc1csc(CN[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000126258988 526359956 /nfs/dbraw/zinc/35/99/56/526359956.db2.gz ONMKRNFQRXZASH-XHDPSFHLSA-N 0 1 272.417 4.180 10 0 CIAEMN c1csc(-c2nc(-c3csc4ccccc34)n[nH]2)c1 ZINC000054700094 526574555 /nfs/dbraw/zinc/57/45/55/526574555.db2.gz YKBLPVGSRNNODC-UHFFFAOYSA-N 0 1 283.381 4.415 10 0 CIAEMN Cc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)c(C)c1 ZINC000073638581 567893358 /nfs/dbraw/zinc/89/33/58/567893358.db2.gz UYDOXCIACWPLIR-UHFFFAOYSA-N 0 1 250.345 4.464 10 0 CIAEMN CC[C@@H](C)N[C@@H](C)c1c(Br)ccc(F)c1F ZINC000725262140 570262291 /nfs/dbraw/zinc/26/22/91/570262291.db2.gz YMKJSPCQWXLUSP-SFYZADRCSA-N 0 1 292.167 4.176 10 0 CIAEMN CC1(C)C[C@@H](NCc2ccccc2F)c2ccccc2O1 ZINC000082504866 178069387 /nfs/dbraw/zinc/06/93/87/178069387.db2.gz RGPOFRHDJRRLKT-MRXNPFEDSA-N 0 1 285.362 4.218 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc(C)n1 ZINC000104160874 185914269 /nfs/dbraw/zinc/91/42/69/185914269.db2.gz GNVUIUMKTZJAAT-HNNXBMFYSA-N 0 1 295.213 4.396 10 0 CIAEMN CC(C)Cc1ccc(C(O)=CC(=O)C(C)(C)C)cc1 ZINC000104750795 186020183 /nfs/dbraw/zinc/02/01/83/186020183.db2.gz CJWAVBNRASUKOV-UHFFFAOYSA-N 0 1 260.377 4.073 10 0 CIAEMN Cc1nc(CN[C@H](C)c2ccc(C)c(C)c2)sc1C ZINC000153878774 261084713 /nfs/dbraw/zinc/08/47/13/261084713.db2.gz XPQCINOILAQLSH-CYBMUJFWSA-N 0 1 274.433 4.228 10 0 CIAEMN COc1cccc(-c2nc(-c3ccccc3C(C)C)n[nH]2)c1 ZINC000005761686 170137894 /nfs/dbraw/zinc/13/78/94/170137894.db2.gz IZKOJNOSZADANF-UHFFFAOYSA-N 0 1 293.370 4.271 10 0 CIAEMN COc1cccc(-c2n[nH]c(-c3ccccc3C(C)C)n2)c1 ZINC000005761686 170137896 /nfs/dbraw/zinc/13/78/96/170137896.db2.gz IZKOJNOSZADANF-UHFFFAOYSA-N 0 1 293.370 4.271 10 0 CIAEMN COc1cccc(-c2nc(-c3cc(Cl)ccc3C)n[nH]2)c1 ZINC000006071271 170173978 /nfs/dbraw/zinc/17/39/78/170173978.db2.gz NLHQVGDLVPMMNP-UHFFFAOYSA-N 0 1 299.761 4.109 10 0 CIAEMN COc1cccc(-c2n[nH]c(-c3cc(Cl)ccc3C)n2)c1 ZINC000006071271 170173980 /nfs/dbraw/zinc/17/39/80/170173980.db2.gz NLHQVGDLVPMMNP-UHFFFAOYSA-N 0 1 299.761 4.109 10 0 CIAEMN CCN1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1 ZINC000006809082 170245702 /nfs/dbraw/zinc/24/57/02/170245702.db2.gz OZZQXBNGLFBYKX-UHFFFAOYSA-N 0 1 284.378 4.082 10 0 CIAEMN c1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[nH]1 ZINC000009243254 170368144 /nfs/dbraw/zinc/36/81/44/170368144.db2.gz MLGCQZCDRQNUGF-UHFFFAOYSA-N 0 1 252.361 4.031 10 0 CIAEMN C[C@H](NCc1nc2ccccc2s1)c1cccs1 ZINC000020136149 171023547 /nfs/dbraw/zinc/02/35/47/171023547.db2.gz NMFCBFAAQATEDQ-JTQLQIEISA-N 0 1 274.414 4.209 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3ccccc3o2)cc1C ZINC000020369097 171167149 /nfs/dbraw/zinc/16/71/49/171167149.db2.gz PXUVRHHMPAQOJQ-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3ccc(C)cc3o2)cc1 ZINC000020389282 171178333 /nfs/dbraw/zinc/17/83/33/171178333.db2.gz LWHUXPWRDBKFSM-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN CC(C)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 ZINC000020553447 171248607 /nfs/dbraw/zinc/24/86/07/171248607.db2.gz XIJLRHWNMYMBGU-UHFFFAOYSA-N 0 1 289.762 4.421 10 0 CIAEMN Cc1c2ccccc2oc1[C@@H](N)c1ccc(C)c(C)c1 ZINC000020592903 171262723 /nfs/dbraw/zinc/26/27/23/171262723.db2.gz CFAXGBDZFNLJCA-KRWDZBQOSA-N 0 1 265.356 4.406 10 0 CIAEMN Oc1ccc(CN[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000035012110 171929924 /nfs/dbraw/zinc/92/99/24/171929924.db2.gz SPGWMXORIUQFSI-GOSISDBHSA-N 0 1 295.407 4.333 10 0 CIAEMN C[C@H](NC1=N[C@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287070 172105152 /nfs/dbraw/zinc/10/51/52/172105152.db2.gz DCQABHHPUUUJOE-SFYZADRCSA-N 0 1 289.231 4.135 10 0 CIAEMN CCCc1ccc([C@@H](N)c2ccc(Br)o2)cc1 ZINC000035380595 172163061 /nfs/dbraw/zinc/16/30/61/172163061.db2.gz DZSOZMZUHHMXPM-CQSZACIVSA-N 0 1 294.192 4.043 10 0 CIAEMN Cc1cc([C@@H](N)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000035382428 172165470 /nfs/dbraw/zinc/16/54/70/172165470.db2.gz UOVVRVGEHOOYJD-CYBMUJFWSA-N 0 1 270.159 4.251 10 0 CIAEMN CN[C@@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035466352 172213493 /nfs/dbraw/zinc/21/34/93/172213493.db2.gz JZAUHGZOIIIZPM-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1cc(C)sc1C)c1cc(Cl)ccc1F ZINC000035497595 172231367 /nfs/dbraw/zinc/23/13/67/172231367.db2.gz NFMXTZGZBWHFRR-CQSZACIVSA-N 0 1 283.799 4.466 10 0 CIAEMN CN[C@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501451 172236058 /nfs/dbraw/zinc/23/60/58/172236058.db2.gz FAPAXWTUIYKKMU-ZDUSSCGKSA-N 0 1 270.159 4.204 10 0 CIAEMN CCN[C@@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035540573 172247428 /nfs/dbraw/zinc/24/74/28/172247428.db2.gz VMLIRPYCOOUMRM-HNNXBMFYSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035541174 172249209 /nfs/dbraw/zinc/24/92/09/172249209.db2.gz LHNDQQDZRQIFMV-MRXNPFEDSA-N 0 1 277.770 4.486 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035552851 172259716 /nfs/dbraw/zinc/25/97/16/172259716.db2.gz CSPGQIUYZPKPOD-CYBMUJFWSA-N 0 1 269.797 4.310 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035552870 172260000 /nfs/dbraw/zinc/26/00/00/172260000.db2.gz HLWMKCOEWGOIRH-LBPRGKRZSA-N 0 1 255.770 4.002 10 0 CIAEMN CCCN[C@@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035585537 172284503 /nfs/dbraw/zinc/28/45/03/172284503.db2.gz WMOLYAWOOWIERN-KOLCDFICSA-N 0 1 294.247 4.275 10 0 CIAEMN Cc1c2cc(C)ccc2oc1[C@@H](N)c1ccc(C)cc1 ZINC000035630546 172312073 /nfs/dbraw/zinc/31/20/73/172312073.db2.gz VTIWSNJAWBIBNP-KRWDZBQOSA-N 0 1 265.356 4.406 10 0 CIAEMN CCCN[C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653164 172329507 /nfs/dbraw/zinc/32/95/07/172329507.db2.gz VFHOZZWDOVOFLP-QMMMGPOBSA-N 0 1 280.582 4.080 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)CCC2 ZINC000035738625 172392367 /nfs/dbraw/zinc/39/23/67/172392367.db2.gz NSSLKCBDHZZBQA-OLZOCXBDSA-N 0 1 255.361 4.180 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738702 172392856 /nfs/dbraw/zinc/39/28/56/172392856.db2.gz GPSSIDHMSWWROO-VHSXEESVSA-N 0 1 267.731 4.484 10 0 CIAEMN CC(C)c1ccc([C@H](N)c2c(F)cccc2F)cc1 ZINC000036819665 172732416 /nfs/dbraw/zinc/73/24/16/172732416.db2.gz YPNDPHWJUJFRJS-INIZCTEOSA-N 0 1 261.315 4.136 10 0 CIAEMN Cc1cc(C)c([C@H](C)N[C@H](C)c2ccco2)c(C)n1 ZINC000037260495 173070471 /nfs/dbraw/zinc/07/04/71/173070471.db2.gz JABWOULWZKTUME-OCCSQVGLSA-N 0 1 258.365 4.012 10 0 CIAEMN N[C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000037379624 173167081 /nfs/dbraw/zinc/16/70/81/173167081.db2.gz VNVSLHSDTYDPEM-SNVBAGLBSA-N 0 1 294.153 4.381 10 0 CIAEMN CC(C)CN([C@@H](C)C(=O)c1cccc(Cl)c1)C1CC1 ZINC000042558429 174795153 /nfs/dbraw/zinc/79/51/53/174795153.db2.gz FFXMMELZFQZSMM-LBPRGKRZSA-N 0 1 279.811 4.032 10 0 CIAEMN CC[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043687086 175094440 /nfs/dbraw/zinc/09/44/40/175094440.db2.gz GEFQOTUFAKMJGG-SNVBAGLBSA-N 0 1 288.254 4.133 10 0 CIAEMN CC[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000043687087 175094698 /nfs/dbraw/zinc/09/46/98/175094698.db2.gz GEFQOTUFAKMJGG-JTQLQIEISA-N 0 1 288.254 4.133 10 0 CIAEMN CCOc1ccc2[nH]c(Nc3ccc(Cl)cc3)nc2c1 ZINC000045918807 175386356 /nfs/dbraw/zinc/38/63/56/175386356.db2.gz WRKZEZHBKMGQSD-UHFFFAOYSA-N 0 1 287.750 4.359 10 0 CIAEMN COc1ccc([C@H](N)c2cc3cc(C)ccc3o2)cc1C ZINC000077069982 177185227 /nfs/dbraw/zinc/18/52/27/177185227.db2.gz ZLSSMGQWHATBNS-SFHVURJKSA-N 0 1 281.355 4.106 10 0 CIAEMN C[C@H](N)c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000003709052 260028883 /nfs/dbraw/zinc/02/88/83/260028883.db2.gz DETJQGFJWYCEFO-LURJTMIESA-N 0 1 273.188 4.137 10 0 CIAEMN Cc1cnc([C@@H](C)NCC2CCC(C(C)C)CC2)o1 ZINC000394199230 260123250 /nfs/dbraw/zinc/12/32/50/260123250.db2.gz FLHZRTXACCJXCG-WLYUNCDWSA-N 0 1 264.413 4.096 10 0 CIAEMN Cc1noc(CNC2CCCCCCCCCCC2)n1 ZINC000038034500 260124378 /nfs/dbraw/zinc/12/43/78/260124378.db2.gz ZEDNNTVHOHGDEA-UHFFFAOYSA-N 0 1 279.428 4.141 10 0 CIAEMN CCCn1ccc(CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000091010497 260264707 /nfs/dbraw/zinc/26/47/07/260264707.db2.gz BFRHNVRZRVZOKT-GFCCVEGCSA-N 0 1 278.346 4.027 10 0 CIAEMN Cc1ccc(CN[C@H](C)c2ccc(C(C)C)cc2)nc1 ZINC000161725205 261142380 /nfs/dbraw/zinc/14/23/80/261142380.db2.gz NYSMVDMRKQITOR-OAHLLOKOSA-N 0 1 268.404 4.364 10 0 CIAEMN CCC[C@@H](N[C@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875983 262031629 /nfs/dbraw/zinc/03/16/29/262031629.db2.gz XOFBDDYCNHRSNG-SJORKVTESA-N 0 1 282.387 4.036 10 0 CIAEMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496834 265366194 /nfs/dbraw/zinc/36/61/94/265366194.db2.gz JAKVMOHDCBNLHY-DYZYQPBXSA-N 0 1 291.316 4.442 10 0 CIAEMN CCOc1ccccc1CN1CCC[C@@H]1c1ccco1 ZINC000116291883 267137743 /nfs/dbraw/zinc/13/77/43/267137743.db2.gz NZUVJCYGHDJQGN-OAHLLOKOSA-N 0 1 271.360 4.015 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2cc(Cl)cs2)o1 ZINC000086332395 525729920 /nfs/dbraw/zinc/72/99/20/525729920.db2.gz JUPBFPOVVSHUMK-SECBINFHSA-N 0 1 255.770 4.154 10 0 CIAEMN Cc1nccnc1[C@H](C)N[C@@H]1c2ccccc2CCC1(C)C ZINC000188363540 327750967 /nfs/dbraw/zinc/75/09/67/327750967.db2.gz VLFLVAIGPFUDSU-KBXCAEBGSA-N 0 1 295.430 4.149 10 0 CIAEMN Cc1cnc([C@H](C)NC[C@H](c2ccccc2)C(C)C)o1 ZINC000220907095 326889308 /nfs/dbraw/zinc/88/93/08/326889308.db2.gz WZNPYUASJXGHRB-HOCLYGCPSA-N 0 1 272.392 4.073 10 0 CIAEMN Cc1nccc(N[C@H]2CCCc3cc(N)ccc32)c1Cl ZINC000261748035 327116888 /nfs/dbraw/zinc/11/68/88/327116888.db2.gz MRCZKYISRRLKHZ-AWEZNQCLSA-N 0 1 287.794 4.115 10 0 CIAEMN CC1(C)Cc2occc2[C@@H](N[C@H]2CCOc3ccccc32)C1 ZINC000178273717 329195528 /nfs/dbraw/zinc/19/55/28/329195528.db2.gz WZQIMQOOWZHAMG-HOTGVXAUSA-N 0 1 297.398 4.407 10 0 CIAEMN C[C@H]1CC(CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C[C@H](C)C1 ZINC000263176725 330047460 /nfs/dbraw/zinc/04/74/60/330047460.db2.gz STTWYUUHQIMDGX-BZUAXINKSA-N 0 1 295.467 4.026 10 0 CIAEMN C[C@H]1CC(CC[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)C[C@H](C)C1 ZINC000263176726 330047492 /nfs/dbraw/zinc/04/74/92/330047492.db2.gz STTWYUUHQIMDGX-OAGGEKHMSA-N 0 1 295.467 4.026 10 0 CIAEMN C[C@H](NCCCF)c1c(Cl)ccc(F)c1Cl ZINC000126958230 333614071 /nfs/dbraw/zinc/61/40/71/333614071.db2.gz DOLXLIRACLWOQO-ZETCQYMHSA-N 0 1 268.134 4.143 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc(F)cc2F)cc1F ZINC000088255063 333087523 /nfs/dbraw/zinc/08/75/23/333087523.db2.gz YLUSLLVRAFGNMA-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN CCSc1cccc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000185449770 333140994 /nfs/dbraw/zinc/14/09/94/333140994.db2.gz IQLNKCSTAUNHFC-QGZVFWFLSA-N 0 1 299.439 4.412 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H]2CCCc3ccc(O)cc32)o1 ZINC000235542559 333370641 /nfs/dbraw/zinc/37/06/41/333370641.db2.gz YFSBZIXUFHCZDZ-LRDDRELGSA-N 0 1 271.360 4.022 10 0 CIAEMN CC(C)(NCc1ccc2ccccc2n1)c1cccc(F)c1 ZINC000174415139 335154247 /nfs/dbraw/zinc/15/42/47/335154247.db2.gz NTQPYHZVZGKUBO-UHFFFAOYSA-N 0 1 294.373 4.399 10 0 CIAEMN C[C@H](c1ccccc1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249730832 334339525 /nfs/dbraw/zinc/33/95/25/334339525.db2.gz SYGDLWJEVYANNP-GHMZBOCLSA-N 0 1 275.289 4.161 10 0 CIAEMN CC(C)Cc1ccc([C@H](C)NCc2ccccn2)cc1 ZINC000019957631 519450902 /nfs/dbraw/zinc/45/09/02/519450902.db2.gz TUYDDNXNWUOLBW-HNNXBMFYSA-N 0 1 268.404 4.131 10 0 CIAEMN CN[C@@H](c1cccc(C)c1)c1ccc(Cl)cc1F ZINC000062786142 522373227 /nfs/dbraw/zinc/37/32/27/522373227.db2.gz FZXYBKBBRCCGRU-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN C[C@H](NCc1cnn(C(C)(C)C)c1)c1cccc(Cl)c1 ZINC000037219329 525480835 /nfs/dbraw/zinc/48/08/35/525480835.db2.gz KVQCCOFAPFGHBG-LBPRGKRZSA-N 0 1 291.826 4.142 10 0 CIAEMN Cc1nc2cc(N)ccc2n1[C@@H](C)CCCC(C)C ZINC000052855322 527123397 /nfs/dbraw/zinc/12/33/97/527123397.db2.gz JZLOCUOTXFNQCZ-LBPRGKRZSA-N 0 1 259.397 4.314 10 0 CIAEMN Cc1cc2nc(-c3cccc(F)c3)[nH]c2cc1Cl ZINC000073638969 567893607 /nfs/dbraw/zinc/89/36/07/567893607.db2.gz UPUKVMLZJIMGBT-UHFFFAOYSA-N 0 1 260.699 4.331 10 0 CIAEMN CCc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000070238371 567885584 /nfs/dbraw/zinc/88/55/84/567885584.db2.gz LTQWWWPBWNOTJR-UHFFFAOYSA-N 0 1 256.736 4.446 10 0 CIAEMN CC1(C)C[C@H](NCc2ccc(F)cc2)c2ccccc2O1 ZINC000082504916 178069274 /nfs/dbraw/zinc/06/92/74/178069274.db2.gz KDOLPACXPJBQFC-INIZCTEOSA-N 0 1 285.362 4.218 10 0 CIAEMN CC1CCN([C@@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095934908 185033807 /nfs/dbraw/zinc/03/38/07/185033807.db2.gz BRYOADYAOOUNSI-LJQANCHMSA-N 0 1 293.410 4.343 10 0 CIAEMN COc1ccccc1[C@H]1NCCc2ccc(C(C)(C)C)cc21 ZINC000011598932 170425202 /nfs/dbraw/zinc/42/52/02/170425202.db2.gz DQBRHYGUIQOLHL-LJQANCHMSA-N 0 1 295.426 4.228 10 0 CIAEMN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148454 171036980 /nfs/dbraw/zinc/03/69/80/171036980.db2.gz ODXPIGJQTISUTN-NEPJUHHUSA-N 0 1 285.416 4.047 10 0 CIAEMN O=C(Nc1cccc2ccccc21)c1ccc(Cl)cc1O ZINC000020548079 171245603 /nfs/dbraw/zinc/24/56/03/171245603.db2.gz WUMWRIIRVPUQFC-UHFFFAOYSA-N 0 1 297.741 4.451 10 0 CIAEMN CC(C)[C@H](C)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000021009860 171286416 /nfs/dbraw/zinc/28/64/16/171286416.db2.gz ZZMIJWFIAMXXSQ-NSHDSACASA-N 0 1 259.397 4.317 10 0 CIAEMN CC(C)[C@H](C)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000021009860 171286417 /nfs/dbraw/zinc/28/64/17/171286417.db2.gz ZZMIJWFIAMXXSQ-NSHDSACASA-N 0 1 259.397 4.317 10 0 CIAEMN CN[C@@H](c1ccc(C)c(C)c1)c1cc(Cl)ccc1F ZINC000035457306 172207792 /nfs/dbraw/zinc/20/77/92/172207792.db2.gz BEZNTCKBZKJDRH-INIZCTEOSA-N 0 1 277.770 4.405 10 0 CIAEMN CN[C@H](c1ccc(C)o1)c1ccc(CC(C)C)cc1 ZINC000035459408 172208065 /nfs/dbraw/zinc/20/80/65/172208065.db2.gz UUSNEDRGLDWDAD-KRWDZBQOSA-N 0 1 257.377 4.095 10 0 CIAEMN CN[C@@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035459371 172208642 /nfs/dbraw/zinc/20/86/42/172208642.db2.gz KOMSBOKONQTBEV-ZDUSSCGKSA-N 0 1 269.772 4.158 10 0 CIAEMN CN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000035463589 172211635 /nfs/dbraw/zinc/21/16/35/172211635.db2.gz YCEYERZADYNTDD-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CCc1ccc([C@@H](NC)c2c(F)cccc2Cl)cc1 ZINC000035495405 172228740 /nfs/dbraw/zinc/22/87/40/172228740.db2.gz IAJWQWUBBFQKJF-MRXNPFEDSA-N 0 1 277.770 4.350 10 0 CIAEMN CN[C@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035497602 172231026 /nfs/dbraw/zinc/23/10/26/172231026.db2.gz PEIQWPALYHLKGR-AWEZNQCLSA-N 0 1 283.799 4.466 10 0 CIAEMN CCN[C@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035540944 172247603 /nfs/dbraw/zinc/24/76/03/172247603.db2.gz BVCNVYVIOUNHIH-AWEZNQCLSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035545430 172253463 /nfs/dbraw/zinc/25/34/63/172253463.db2.gz CDPQWGDDNYELHL-CYBMUJFWSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035552387 172259398 /nfs/dbraw/zinc/25/93/98/172259398.db2.gz MSNABFVWUOGZIT-HNNXBMFYSA-N 0 1 281.371 4.342 10 0 CIAEMN CCCN[C@H](c1ccsc1)c1ccc(F)cc1F ZINC000035581875 172278609 /nfs/dbraw/zinc/27/86/09/172278609.db2.gz JEVRPXJECLLUKG-CQSZACIVSA-N 0 1 267.344 4.115 10 0 CIAEMN Cc1c2cc(C)ccc2oc1[C@H](N)c1ccc(C)cc1 ZINC000035630547 172312163 /nfs/dbraw/zinc/31/21/63/172312163.db2.gz VTIWSNJAWBIBNP-QGZVFWFLSA-N 0 1 265.356 4.406 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738465 172391485 /nfs/dbraw/zinc/39/14/85/172391485.db2.gz ISNZWZZGIZHSDQ-RKDXNWHRSA-N 0 1 255.770 4.406 10 0 CIAEMN CCOCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035790515 172418195 /nfs/dbraw/zinc/41/81/95/172418195.db2.gz SIDWLRWANPATNH-SECBINFHSA-N 0 1 294.197 4.210 10 0 CIAEMN C[C@@H](N[C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260573 173070768 /nfs/dbraw/zinc/07/07/68/173070768.db2.gz IXMNLQQPHUWCTG-BZNIZROVSA-N 0 1 259.324 4.221 10 0 CIAEMN N[C@@H](c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000037378667 173166902 /nfs/dbraw/zinc/16/69/02/173166902.db2.gz GHADBABYZOHGIR-ZDUSSCGKSA-N 0 1 288.124 4.320 10 0 CIAEMN CCc1ccc(-c2csc([C@H](N)C(C)(C)C)n2)cc1 ZINC000041181643 174506160 /nfs/dbraw/zinc/50/61/60/174506160.db2.gz QWQMMOITHAUHBB-AWEZNQCLSA-N 0 1 274.433 4.418 10 0 CIAEMN CCc1ccc([C@H](N)c2ccc(Cl)s2)s1 ZINC000043639767 175084064 /nfs/dbraw/zinc/08/40/64/175084064.db2.gz DHVYEKMJQJVIQB-NSHDSACASA-N 0 1 257.811 4.074 10 0 CIAEMN Cc1ccc2oc([C@@H](N)c3cc(C)ccc3C)cc2c1 ZINC000071406734 176156253 /nfs/dbraw/zinc/15/62/53/176156253.db2.gz RZOALEWAIUBNLR-SFHVURJKSA-N 0 1 265.356 4.406 10 0 CIAEMN CCN[C@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784479 177091996 /nfs/dbraw/zinc/09/19/96/177091996.db2.gz QPZHYHVHANEPIT-SNVBAGLBSA-N 0 1 280.824 4.058 10 0 CIAEMN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092195759 260267571 /nfs/dbraw/zinc/26/75/71/260267571.db2.gz UFOSUSCXHCRTCD-STQMWFEESA-N 0 1 272.367 4.195 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccc(F)cn1 ZINC000092195277 260268504 /nfs/dbraw/zinc/26/85/04/260268504.db2.gz RDCNABKBWIHLSQ-WDEREUQCSA-N 0 1 278.758 4.286 10 0 CIAEMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C)o1)CCC2 ZINC000092383604 260270343 /nfs/dbraw/zinc/27/03/43/260270343.db2.gz UNUXFOCQFNXBFF-CXAGYDPISA-N 0 1 285.387 4.325 10 0 CIAEMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(F)c(Cl)c1 ZINC000152352456 261063395 /nfs/dbraw/zinc/06/33/95/261063395.db2.gz RLBGGUBCTVGLQD-NXEZZACHSA-N 0 1 296.748 4.425 10 0 CIAEMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(C)o2)s1 ZINC000158099837 261158377 /nfs/dbraw/zinc/15/83/77/261158377.db2.gz OXUHMXAFSXQMQH-QWRGUYRKSA-N 0 1 278.421 4.327 10 0 CIAEMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496839 265365944 /nfs/dbraw/zinc/36/59/44/265365944.db2.gz JAKVMOHDCBNLHY-QGHHPUGFSA-N 0 1 291.316 4.442 10 0 CIAEMN CCOc1ccccc1CN1CCC[C@H]1c1ccco1 ZINC000116291886 267138012 /nfs/dbraw/zinc/13/80/12/267138012.db2.gz NZUVJCYGHDJQGN-HNNXBMFYSA-N 0 1 271.360 4.015 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000179092897 327799166 /nfs/dbraw/zinc/79/91/66/327799166.db2.gz UKYJXXUUTBRFBO-VHSXEESVSA-N 0 1 296.748 4.425 10 0 CIAEMN CC1(C)Cc2occc2[C@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000178273676 329195469 /nfs/dbraw/zinc/19/54/69/329195469.db2.gz WZQIMQOOWZHAMG-HZPDHXFCSA-N 0 1 297.398 4.407 10 0 CIAEMN C[C@@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484622 329197493 /nfs/dbraw/zinc/19/74/93/329197493.db2.gz VPTVJGPTRUOXOH-DOMZBBRYSA-N 0 1 271.360 4.233 10 0 CIAEMN CC(C)n1cc(CN[C@@H](C)c2ccc(Cl)s2)cn1 ZINC000226240036 329258820 /nfs/dbraw/zinc/25/88/20/329258820.db2.gz JVGJVOPMTUQOBO-JTQLQIEISA-N 0 1 283.828 4.030 10 0 CIAEMN Clc1ccsc1CN[C@H]1CCc2ccccc21 ZINC000278343685 330119684 /nfs/dbraw/zinc/11/96/84/330119684.db2.gz HOJBDWIMTPNCPH-ZDUSSCGKSA-N 0 1 263.793 4.179 10 0 CIAEMN C[C@@H]1CC[C@H](NCc2ccncc2Cl)c2ccccc21 ZINC000527683799 330271052 /nfs/dbraw/zinc/27/10/52/330271052.db2.gz PPLFLNGUZVHSLD-PXAZEXFGSA-N 0 1 286.806 4.463 10 0 CIAEMN C[C@H](N[C@H]1C[C@@H]1c1ccccc1)c1c(F)cccc1F ZINC000044674016 330331544 /nfs/dbraw/zinc/33/15/44/330331544.db2.gz XBFNBWFCBQAFBR-GHJWDPDVSA-N 0 1 273.326 4.172 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000090964077 330397308 /nfs/dbraw/zinc/39/73/08/330397308.db2.gz JXDWNZJXCXNZNG-LRDDRELGSA-N 0 1 273.351 4.455 10 0 CIAEMN Cc1cnc([C@@H](C)NCC2CCC(C(C)(C)C)CC2)o1 ZINC000230644472 333319533 /nfs/dbraw/zinc/31/95/33/333319533.db2.gz UGEYTBSYNKDYMT-WLYUNCDWSA-N 0 1 278.440 4.486 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H]2CCCc3ccc(O)cc32)o1 ZINC000235205551 333366661 /nfs/dbraw/zinc/36/66/61/333366661.db2.gz YFSBZIXUFHCZDZ-WBMJQRKESA-N 0 1 271.360 4.022 10 0 CIAEMN Cc1csc(CN[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000126154983 333591478 /nfs/dbraw/zinc/59/14/78/333591478.db2.gz NBVXVWUFGFKMHY-INIZCTEOSA-N 0 1 286.444 4.255 10 0 CIAEMN C[C@H](NCc1nc2ccccc2n1C)c1ccc(Cl)cc1 ZINC000070165920 333800365 /nfs/dbraw/zinc/80/03/65/333800365.db2.gz FVIIGNZIMIYDFW-LBPRGKRZSA-N 0 1 299.805 4.078 10 0 CIAEMN CC[C@@H](COC)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735362 334161298 /nfs/dbraw/zinc/16/12/98/334161298.db2.gz CLEMCNZEKFCHBW-IUCAKERBSA-N 0 1 294.197 4.208 10 0 CIAEMN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1nccs1 ZINC000080266418 334168760 /nfs/dbraw/zinc/16/87/60/334168760.db2.gz JVUWXAILFHXXLY-IUODEOHRSA-N 0 1 272.417 4.261 10 0 CIAEMN Fc1ccc2c(c1)[C@@H](N1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000248371283 334299382 /nfs/dbraw/zinc/29/93/82/334299382.db2.gz YMFBSBMEODPJNW-RISCZKNCSA-N 0 1 287.300 4.087 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953184 525740913 /nfs/dbraw/zinc/74/09/13/525740913.db2.gz YKXWIJPEJUXVRF-WDEREUQCSA-N 0 1 265.303 4.278 10 0 CIAEMN Cc1csc(CN[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000126259206 526362278 /nfs/dbraw/zinc/36/22/78/526362278.db2.gz ONMKRNFQRXZASH-NHYWBVRUSA-N 0 1 272.417 4.180 10 0 CIAEMN Cc1nc2cc(N)ccc2n1[C@H](C)CCCC(C)C ZINC000052855324 527123669 /nfs/dbraw/zinc/12/36/69/527123669.db2.gz JZLOCUOTXFNQCZ-GFCCVEGCSA-N 0 1 259.397 4.314 10 0 CIAEMN Cc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1Cl ZINC000073638956 567893488 /nfs/dbraw/zinc/89/34/88/567893488.db2.gz LXQADOYWPVDKMR-UHFFFAOYSA-N 0 1 260.699 4.331 10 0 CIAEMN CC[C@H](C)N[C@@H](C)c1c(Br)ccc(F)c1F ZINC000725262141 570262285 /nfs/dbraw/zinc/26/22/85/570262285.db2.gz YMKJSPCQWXLUSP-YUMQZZPRSA-N 0 1 292.167 4.176 10 0 CIAEMN CC[C@H](C)N[C@H](C)c1c(Br)ccc(F)c1F ZINC000725262139 570262212 /nfs/dbraw/zinc/26/22/12/570262212.db2.gz YMKJSPCQWXLUSP-JGVFFNPUSA-N 0 1 292.167 4.176 10 0 CIAEMN Cc1ccc2nc(-c3nc4ccccc4s3)[nH]c2c1 ZINC000005941711 170159991 /nfs/dbraw/zinc/15/99/91/170159991.db2.gz QDPROAPWHKFTMP-UHFFFAOYSA-N 0 1 265.341 4.148 10 0 CIAEMN CCc1ccccc1-c1nc(-c2cccc(C)c2C)n[nH]1 ZINC000005956805 170162337 /nfs/dbraw/zinc/16/23/37/170162337.db2.gz UZUVFACVCVJXBX-UHFFFAOYSA-N 0 1 277.371 4.318 10 0 CIAEMN CCc1ccccc1-c1n[nH]c(-c2cccc(C)c2C)n1 ZINC000005956805 170162338 /nfs/dbraw/zinc/16/23/38/170162338.db2.gz UZUVFACVCVJXBX-UHFFFAOYSA-N 0 1 277.371 4.318 10 0 CIAEMN C[C@H](NCc1cccc(Cl)c1Cl)c1ccncc1 ZINC000020121620 171001088 /nfs/dbraw/zinc/00/10/88/171001088.db2.gz SIADHMBFDLLQDV-JTQLQIEISA-N 0 1 281.186 4.239 10 0 CIAEMN c1ccc2sc(CN[C@H]3CCCc4ccccc43)nc2c1 ZINC000020136357 171024138 /nfs/dbraw/zinc/02/41/38/171024138.db2.gz PSYHRUSEHLZGAF-HNNXBMFYSA-N 0 1 294.423 4.464 10 0 CIAEMN CC(C)c1n[nH]c(=S)n1-c1ccccc1C(C)C ZINC000020589007 171260517 /nfs/dbraw/zinc/26/05/17/171260517.db2.gz RDZLYIWZPCZOJN-UHFFFAOYSA-N 0 1 261.394 4.177 10 0 CIAEMN CC(C)[C@@H](C)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000021009858 171286365 /nfs/dbraw/zinc/28/63/65/171286365.db2.gz ZZMIJWFIAMXXSQ-LLVKDONJSA-N 0 1 259.397 4.317 10 0 CIAEMN CC(C)[C@@H](C)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000021009858 171286366 /nfs/dbraw/zinc/28/63/66/171286366.db2.gz ZZMIJWFIAMXXSQ-LLVKDONJSA-N 0 1 259.397 4.317 10 0 CIAEMN C[C@@H](Nc1ccc2[nH]c(C(C)(C)C)nc2c1)C1CC1 ZINC000022152242 171359814 /nfs/dbraw/zinc/35/98/14/171359814.db2.gz RMGJBUJTRLBXHX-SNVBAGLBSA-N 0 1 257.381 4.071 10 0 CIAEMN C[C@@H](Nc1ccc2nc(C(C)(C)C)[nH]c2c1)C1CC1 ZINC000022152242 171359815 /nfs/dbraw/zinc/35/98/15/171359815.db2.gz RMGJBUJTRLBXHX-SNVBAGLBSA-N 0 1 257.381 4.071 10 0 CIAEMN Clc1cccc(Oc2ccccc2)c1CNC1CC1 ZINC000034833960 171881713 /nfs/dbraw/zinc/88/17/13/171881713.db2.gz UUWCJMLMLZQUTH-UHFFFAOYSA-N 0 1 273.763 4.384 10 0 CIAEMN C[C@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000035141858 172008851 /nfs/dbraw/zinc/00/88/51/172008851.db2.gz QHLKFBCQGAMOBT-VIFPVBQESA-N 0 1 269.772 4.391 10 0 CIAEMN CN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000035463590 172211493 /nfs/dbraw/zinc/21/14/93/172211493.db2.gz YCEYERZADYNTDD-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC000035464304 172212185 /nfs/dbraw/zinc/21/21/85/172212185.db2.gz BTUNVHDKNAPVTC-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000035464316 172212625 /nfs/dbraw/zinc/21/26/25/172212625.db2.gz QTTQPFWKZUNJOR-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035487896 172222900 /nfs/dbraw/zinc/22/29/00/172222900.db2.gz NTBJRXZZMXFIQB-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035488319 172223291 /nfs/dbraw/zinc/22/32/91/172223291.db2.gz LMLMDIZROUSUDB-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@@H](c1cc(C)ccc1C)c1c(F)cccc1Cl ZINC000035490116 172225183 /nfs/dbraw/zinc/22/51/83/172225183.db2.gz IBJKJGPBWMPNBG-INIZCTEOSA-N 0 1 277.770 4.405 10 0 CIAEMN CN[C@@H](c1occc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493378 172227183 /nfs/dbraw/zinc/22/71/83/172227183.db2.gz HXQNQQYTWRKNGX-OAHLLOKOSA-N 0 1 257.377 4.194 10 0 CIAEMN CN[C@H](c1cc(C)sc1C)c1c(F)cccc1Cl ZINC000035497883 172231277 /nfs/dbraw/zinc/23/12/77/172231277.db2.gz KPEAXIOZWYHAOD-CQSZACIVSA-N 0 1 283.799 4.466 10 0 CIAEMN CN[C@@H](c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000035501959 172236321 /nfs/dbraw/zinc/23/63/21/172236321.db2.gz RDKJZDFEPZZRCY-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035501815 172236453 /nfs/dbraw/zinc/23/64/53/172236453.db2.gz IGIXQELAXYPDLP-ZDUSSCGKSA-N 0 1 270.159 4.204 10 0 CIAEMN CCN[C@@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035540945 172247992 /nfs/dbraw/zinc/24/79/92/172247992.db2.gz BVCNVYVIOUNHIH-CQSZACIVSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@H](c1cccs1)c1ccccc1Br ZINC000035545646 172253734 /nfs/dbraw/zinc/25/37/34/172253734.db2.gz NNCGRAZKDRQIKX-ZDUSSCGKSA-N 0 1 296.233 4.210 10 0 CIAEMN CCN[C@@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035552356 172258993 /nfs/dbraw/zinc/25/89/93/172258993.db2.gz RSCAAOSFTMDBIC-HNNXBMFYSA-N 0 1 281.371 4.342 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1ccccc1OCC ZINC000035553507 172259752 /nfs/dbraw/zinc/25/97/52/172259752.db2.gz KPZWORYUOJYMSF-HNNXBMFYSA-N 0 1 295.835 4.499 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1ccccc1OCC ZINC000035553511 172260264 /nfs/dbraw/zinc/26/02/64/172260264.db2.gz KPZWORYUOJYMSF-OAHLLOKOSA-N 0 1 295.835 4.499 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1occc1C ZINC000035552844 172260404 /nfs/dbraw/zinc/26/04/04/172260404.db2.gz MTHUQBTWEFZQCC-NSHDSACASA-N 0 1 255.770 4.002 10 0 CIAEMN CCN[C@@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035557884 172263768 /nfs/dbraw/zinc/26/37/68/172263768.db2.gz ZGNODMMOBIVIKM-CYBMUJFWSA-N 0 1 270.159 4.285 10 0 CIAEMN CCCN[C@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035585539 172284702 /nfs/dbraw/zinc/28/47/02/172284702.db2.gz WMOLYAWOOWIERN-MWLCHTKSSA-N 0 1 294.247 4.275 10 0 CIAEMN COc1ccc([C@H](N)c2oc3ccc(C)cc3c2C)cc1 ZINC000035630517 172311909 /nfs/dbraw/zinc/31/19/09/172311909.db2.gz KPMQODSZCNZPSH-KRWDZBQOSA-N 0 1 281.355 4.106 10 0 CIAEMN CC(C)N[C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653140 172329739 /nfs/dbraw/zinc/32/97/39/172329739.db2.gz LSRGGVONSLCWQS-VIFPVBQESA-N 0 1 294.609 4.468 10 0 CIAEMN Clc1cc(Cl)c2c(c1Cl)[C@@H](NC1CC1)CCO2 ZINC000035653136 172329778 /nfs/dbraw/zinc/32/97/78/172329778.db2.gz WNLJJQLCNCSRPE-VIFPVBQESA-N 0 1 292.593 4.222 10 0 CIAEMN C[C@@H](c1ccc(Cl)cc1)N1CCc2c(N)cccc2C1 ZINC000038032641 174029279 /nfs/dbraw/zinc/02/92/79/174029279.db2.gz RSXYDQWMNSQGOM-LBPRGKRZSA-N 0 1 286.806 4.042 10 0 CIAEMN N[C@@H](c1nc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000038037072 174036764 /nfs/dbraw/zinc/03/67/64/174036764.db2.gz XHFWGILIXRRYHE-CYBMUJFWSA-N 0 1 264.756 4.061 10 0 CIAEMN N[C@H](c1nc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000038037073 174036902 /nfs/dbraw/zinc/03/69/02/174036902.db2.gz XHFWGILIXRRYHE-ZDUSSCGKSA-N 0 1 264.756 4.061 10 0 CIAEMN CC[C@@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043687003 175094668 /nfs/dbraw/zinc/09/46/68/175094668.db2.gz ISCLYPPYCRLWMM-LLVKDONJSA-N 0 1 288.254 4.275 10 0 CIAEMN Clc1ccc2nc(C=Cc3ccccc3)[nH]c2c1 ZINC000044174988 175149125 /nfs/dbraw/zinc/14/91/25/175149125.db2.gz CGUGNORVEBALDT-RMKNXTFCSA-N 0 1 254.720 4.387 10 0 CIAEMN Cc1cc(NC2CCCCC2)nc(NC2CCCCC2)n1 ZINC000045351405 175361547 /nfs/dbraw/zinc/36/15/47/175361547.db2.gz RHBUHSIAIPWSJH-UHFFFAOYSA-N 0 1 288.439 4.274 10 0 CIAEMN C[C@@H](NCc1ccncc1Cl)c1ccc(Cl)cc1 ZINC000088781294 260005256 /nfs/dbraw/zinc/00/52/56/260005256.db2.gz OCGPCPBWCWSYJB-SNVBAGLBSA-N 0 1 281.186 4.239 10 0 CIAEMN Cc1cnc([C@H](C)NCC2CCC(C(C)C)CC2)o1 ZINC000394199224 260123386 /nfs/dbraw/zinc/12/33/86/260123386.db2.gz FLHZRTXACCJXCG-NFOMZHRRSA-N 0 1 264.413 4.096 10 0 CIAEMN NC1(c2noc(C3CCCCCCC3)n2)CCCCC1 ZINC000086581862 260208819 /nfs/dbraw/zinc/20/88/19/260208819.db2.gz ARQAZYKMYPCOGT-UHFFFAOYSA-N 0 1 277.412 4.016 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000153179144 261074884 /nfs/dbraw/zinc/07/48/84/261074884.db2.gz XWHGQROVQFBPTI-QWHCGFSZSA-N 0 1 274.795 4.455 10 0 CIAEMN FC(F)c1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000183968275 262002719 /nfs/dbraw/zinc/00/27/19/262002719.db2.gz BHQGJCPYWVUDOL-OAHLLOKOSA-N 0 1 291.345 4.075 10 0 CIAEMN FC(F)c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000183968275 262002720 /nfs/dbraw/zinc/00/27/20/262002720.db2.gz BHQGJCPYWVUDOL-OAHLLOKOSA-N 0 1 291.345 4.075 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094837058 265262081 /nfs/dbraw/zinc/26/20/81/265262081.db2.gz QIFPQRVUBDZHEN-STQMWFEESA-N 0 1 261.340 4.447 10 0 CIAEMN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172028684 335089769 /nfs/dbraw/zinc/08/97/69/335089769.db2.gz FOFVQYXFPLWDJZ-IUODEOHRSA-N 0 1 259.324 4.317 10 0 CIAEMN C[C@H](c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000172028684 335089770 /nfs/dbraw/zinc/08/97/70/335089770.db2.gz FOFVQYXFPLWDJZ-IUODEOHRSA-N 0 1 259.324 4.317 10 0 CIAEMN Cc1cncc([C@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000184391286 327827683 /nfs/dbraw/zinc/82/76/83/327827683.db2.gz IALKXOKLWRQWSP-WMLDXEAASA-N 0 1 296.414 4.343 10 0 CIAEMN CC(C)n1nccc1CN[C@H](C)c1ccc(Cl)s1 ZINC000394658635 327909705 /nfs/dbraw/zinc/90/97/05/327909705.db2.gz YYDGYWSKZJKSMD-SNVBAGLBSA-N 0 1 283.828 4.030 10 0 CIAEMN C[C@H](N[C@@H](C)c1cnccn1)c1ccc(C(C)(C)C)cc1 ZINC000070478047 326916958 /nfs/dbraw/zinc/91/69/58/326916958.db2.gz DGECRDFVGQHOHZ-KBPBESRZSA-N 0 1 283.419 4.186 10 0 CIAEMN CC[C@H](N[C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000070529053 326917600 /nfs/dbraw/zinc/91/76/00/326917600.db2.gz XEXFMMSAKIUTIX-HOTGVXAUSA-N 0 1 271.335 4.000 10 0 CIAEMN CCC[C@H](N[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000178662926 329201772 /nfs/dbraw/zinc/20/17/72/329201772.db2.gz FVSWHMOCXCFTRJ-WBVHZDCISA-N 0 1 282.387 4.036 10 0 CIAEMN Cc1ccc2c(c1)[C@H](N[C@H](C)c1nccs1)[C@H](C)C2 ZINC000248412178 329892898 /nfs/dbraw/zinc/89/28/98/329892898.db2.gz JCJPWEWLOHUUOD-LALPHHSUSA-N 0 1 272.417 4.036 10 0 CIAEMN Clc1cnccc1CN[C@@H]1CCCCc2ccccc21 ZINC000527653467 330272597 /nfs/dbraw/zinc/27/25/97/330272597.db2.gz UHLFMWXGPZNDMZ-QGZVFWFLSA-N 0 1 286.806 4.292 10 0 CIAEMN Cc1cccnc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000071338925 330372140 /nfs/dbraw/zinc/37/21/40/330372140.db2.gz LSDBLCLWSPEBKF-HNNXBMFYSA-N 0 1 268.404 4.364 10 0 CIAEMN C[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964337 330397394 /nfs/dbraw/zinc/39/73/94/330397394.db2.gz CDYTYLCJXSJFPD-IAQYHMDHSA-N 0 1 259.324 4.147 10 0 CIAEMN C[C@H](N[C@@H]1C[C@@H]1C)c1cc(Cl)sc1Cl ZINC000167289242 331308195 /nfs/dbraw/zinc/30/81/95/331308195.db2.gz PWPSHKLXTAMCKW-VMHSAVOQSA-N 0 1 250.194 4.114 10 0 CIAEMN COc1ccc(Cl)c(CN[C@@H](C)c2cccs2)c1 ZINC000192179865 333231796 /nfs/dbraw/zinc/23/17/96/333231796.db2.gz NKNQUHSWAKLHOJ-JTQLQIEISA-N 0 1 281.808 4.261 10 0 CIAEMN Cc1ccc(F)c(CN[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000228786899 333296987 /nfs/dbraw/zinc/29/69/87/333296987.db2.gz HTWLUJFUVSVZRI-CYBMUJFWSA-N 0 1 275.342 4.432 10 0 CIAEMN C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(Cl)s1 ZINC000037284747 333531374 /nfs/dbraw/zinc/53/13/74/333531374.db2.gz BZGFAPIPPFXBAH-JTQLQIEISA-N 0 1 297.855 4.204 10 0 CIAEMN CC(C)c1ccc([C@@H](C)NCc2cncc(F)c2)cc1 ZINC000275178662 519839164 /nfs/dbraw/zinc/83/91/64/519839164.db2.gz MPJDQYYQSLZDJY-CYBMUJFWSA-N 0 1 272.367 4.195 10 0 CIAEMN Cc1ccc2nc(-c3cc(Cl)c(N)c(Cl)c3)[nH]c2c1 ZINC000126359968 534487175 /nfs/dbraw/zinc/48/71/75/534487175.db2.gz WCBNLXDKHNYYOM-UHFFFAOYSA-N 0 1 292.169 4.427 10 0 CIAEMN CN[C@H](c1cc(F)cc(F)c1)c1ccc(Cl)cc1F ZINC000062786226 522477445 /nfs/dbraw/zinc/47/74/45/522477445.db2.gz RPPYZRIGLNPRPN-CQSZACIVSA-N 0 1 285.696 4.066 10 0 CIAEMN CN[C@H](c1ccc(Cl)s1)c1cc(C)ccc1F ZINC000052982150 522480110 /nfs/dbraw/zinc/48/01/10/522480110.db2.gz XSDISNRGXZSSEU-ZDUSSCGKSA-N 0 1 269.772 4.158 10 0 CIAEMN Cc1cc([C@@H](C)NCc2ccc(F)cc2C)c(C)o1 ZINC000050577724 525466381 /nfs/dbraw/zinc/46/63/81/525466381.db2.gz JWQVDSGJLYJFRX-GFCCVEGCSA-N 0 1 261.340 4.195 10 0 CIAEMN Cc1ccc2nc(Sc3ccc(N)cc3Cl)[nH]c2c1 ZINC000061439763 526102428 /nfs/dbraw/zinc/10/24/28/526102428.db2.gz JBQAPLISVPCIMO-UHFFFAOYSA-N 0 1 289.791 4.258 10 0 CIAEMN Cc1ncc(CNc2cc(Cl)c(Cl)cc2Cl)[nH]1 ZINC000054797867 526896982 /nfs/dbraw/zinc/89/69/82/526896982.db2.gz VISMAWNSUJWLAI-UHFFFAOYSA-N 0 1 290.581 4.290 10 0 CIAEMN Cc1cc2nc(Cc3ccccc3)[nH]c2cc1Cl ZINC000073638850 567893492 /nfs/dbraw/zinc/89/34/92/567893492.db2.gz WJOBBDBFGBPJBY-UHFFFAOYSA-N 0 1 256.736 4.116 10 0 CIAEMN CC(C)(C)[C@H](N)c1cc2ccc(Br)cc2o1 ZINC000675081042 570368841 /nfs/dbraw/zinc/36/88/41/570368841.db2.gz DNEOFNZPBCLDOU-GFCCVEGCSA-N 0 1 282.181 4.241 10 0 CIAEMN NCc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000104235470 185938946 /nfs/dbraw/zinc/93/89/46/185938946.db2.gz NDZBDHHJPYBOHC-UHFFFAOYSA-N 0 1 275.657 4.078 10 0 CIAEMN CC1(c2nc3ccc(O)c(Cl)c3o2)CCCCC1 ZINC000090714551 180028816 /nfs/dbraw/zinc/02/88/16/180028816.db2.gz DYZVFRIPAJBAIS-UHFFFAOYSA-N 0 1 265.740 4.409 10 0 CIAEMN Cc1ccc2nc(COc3ccccc3Cl)[nH]c2c1 ZINC000005818398 170143780 /nfs/dbraw/zinc/14/37/80/170143780.db2.gz HXEMOVYXACHBIL-UHFFFAOYSA-N 0 1 272.735 4.104 10 0 CIAEMN CC(C)c1ccc(-c2nc3ccc(O)cc3[nH]2)cc1 ZINC000006952503 170258838 /nfs/dbraw/zinc/25/88/38/170258838.db2.gz UWNJYYTXQGREOF-UHFFFAOYSA-N 0 1 252.317 4.059 10 0 CIAEMN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(Br)cc1 ZINC000009997555 170393994 /nfs/dbraw/zinc/39/39/94/170393994.db2.gz PIGIKHPZCSTRDF-VXGBXAGGSA-N 0 1 282.225 4.212 10 0 CIAEMN CC(C)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000020362204 171160851 /nfs/dbraw/zinc/16/08/51/171160851.db2.gz BEWWYPWECRDXTK-UHFFFAOYSA-N 0 1 289.762 4.421 10 0 CIAEMN N[C@@H](c1ccc(Cl)s1)c1ccccc1C(F)(F)F ZINC000020375143 171170563 /nfs/dbraw/zinc/17/05/63/171170563.db2.gz DYCUFBJZTLRABQ-LLVKDONJSA-N 0 1 291.725 4.468 10 0 CIAEMN Clc1ccc2oc(-c3ccc4[nH]cnc4c3)nc2c1 ZINC000020494284 171226680 /nfs/dbraw/zinc/22/66/80/171226680.db2.gz NPQKGKBYASCJLC-UHFFFAOYSA-N 0 1 269.691 4.025 10 0 CIAEMN Cc1c2ccccc2oc1[C@@H](N)c1cc(C)ccc1C ZINC000020592885 171262401 /nfs/dbraw/zinc/26/24/01/171262401.db2.gz BMYSKPXDMPSNBO-KRWDZBQOSA-N 0 1 265.356 4.406 10 0 CIAEMN C[C@@H](NC1=N[C@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287072 172104881 /nfs/dbraw/zinc/10/48/81/172104881.db2.gz DCQABHHPUUUJOE-HTQZYQBOSA-N 0 1 289.231 4.135 10 0 CIAEMN N[C@@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035382487 172165144 /nfs/dbraw/zinc/16/51/44/172165144.db2.gz CFYCYWBTUNUCSJ-MRVPVSSYSA-N 0 1 264.202 4.165 10 0 CIAEMN CN[C@H](c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000035464008 172211727 /nfs/dbraw/zinc/21/17/27/172211727.db2.gz LFXMGTCGCRNANZ-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035487894 172223301 /nfs/dbraw/zinc/22/33/01/172223301.db2.gz NTBJRXZZMXFIQB-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@@H](c1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000035494460 172227560 /nfs/dbraw/zinc/22/75/60/172227560.db2.gz JCUBZLDWNAOULI-AWEZNQCLSA-N 0 1 285.696 4.066 10 0 CIAEMN CN[C@@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035498021 172231022 /nfs/dbraw/zinc/23/10/22/172231022.db2.gz ZMPJMWJNQBJDAN-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501431 172235666 /nfs/dbraw/zinc/23/56/66/172235666.db2.gz QLHGEUOKFVTALH-ZDUSSCGKSA-N 0 1 270.159 4.204 10 0 CIAEMN CCN[C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035539888 172246312 /nfs/dbraw/zinc/24/63/12/172246312.db2.gz CFPKFRHOLALXGJ-HNNXBMFYSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000035541079 172248105 /nfs/dbraw/zinc/24/81/05/172248105.db2.gz JCXFYEABFPLHHP-MRXNPFEDSA-N 0 1 277.770 4.486 10 0 CIAEMN Cc1cccc(OCc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000035551868 172258998 /nfs/dbraw/zinc/25/89/98/172258998.db2.gz XMLCFFYGDHDUAN-UHFFFAOYSA-N 0 1 299.761 4.013 10 0 CIAEMN CCCN[C@@H](c1ccc(Cl)s1)c1occc1C ZINC000035583488 172281620 /nfs/dbraw/zinc/28/16/20/172281620.db2.gz RSNJFTUXLYEKMD-LBPRGKRZSA-N 0 1 269.797 4.392 10 0 CIAEMN CCN[C@@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653146 172329592 /nfs/dbraw/zinc/32/95/92/172329592.db2.gz FVFHGPOSSVDHIP-MRVPVSSYSA-N 0 1 280.582 4.080 10 0 CIAEMN C[C@H](c1ccccc1Cl)N1CCc2c(N)cccc2C1 ZINC000038032667 174028517 /nfs/dbraw/zinc/02/85/17/174028517.db2.gz QFSZLHACDGAROM-GFCCVEGCSA-N 0 1 286.806 4.042 10 0 CIAEMN CCCn1c(CN[C@@H](C)c2cccs2)nc2ccccc21 ZINC000038046682 174055171 /nfs/dbraw/zinc/05/51/71/174055171.db2.gz DSPZFPVXHBXWGJ-ZDUSSCGKSA-N 0 1 299.443 4.359 10 0 CIAEMN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ccc(C)o1 ZINC000036960129 260057840 /nfs/dbraw/zinc/05/78/40/260057840.db2.gz JUDFCUIITXJADT-DYVFJYSZSA-N 0 1 285.387 4.325 10 0 CIAEMN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ccc(C)o1 ZINC000036960127 260057935 /nfs/dbraw/zinc/05/79/35/260057935.db2.gz JUDFCUIITXJADT-CXAGYDPISA-N 0 1 285.387 4.325 10 0 CIAEMN C[C@H](COCc1ccccc1)NCc1ccsc1Cl ZINC000312601392 260173881 /nfs/dbraw/zinc/17/38/81/260173881.db2.gz MHHGRBHKDSMNCU-GFCCVEGCSA-N 0 1 295.835 4.096 10 0 CIAEMN Cc1cc(Cl)ccc1CN[C@@H]1CCOc2ccccc21 ZINC000128735999 260378518 /nfs/dbraw/zinc/37/85/18/260378518.db2.gz BQMZVXBLGJKHAF-MRXNPFEDSA-N 0 1 287.790 4.262 10 0 CIAEMN CCC[C@@H](N[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875944 262031815 /nfs/dbraw/zinc/03/18/15/262031815.db2.gz XOFBDDYCNHRSNG-IAGOWNOFSA-N 0 1 282.387 4.036 10 0 CIAEMN c1coc([C@H](NCCc2ccsc2)c2ccccc2)c1 ZINC000049152887 328349753 /nfs/dbraw/zinc/34/97/53/328349753.db2.gz ZTXGAODUCGHKHN-QGZVFWFLSA-N 0 1 283.396 4.263 10 0 CIAEMN CCn1nc(C)c([C@@H](C)NCc2ccc(Cl)s2)c1C ZINC000071307251 326919395 /nfs/dbraw/zinc/91/93/95/326919395.db2.gz VGIOLEFUFWDQCK-SECBINFHSA-N 0 1 297.855 4.086 10 0 CIAEMN c1cc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000178456390 329197268 /nfs/dbraw/zinc/19/72/68/329197268.db2.gz VSZQWDLHBIEQES-MRXNPFEDSA-N 0 1 283.371 4.206 10 0 CIAEMN C[C@H](N[C@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484609 329197526 /nfs/dbraw/zinc/19/75/26/329197526.db2.gz VPTVJGPTRUOXOH-WFASDCNBSA-N 0 1 271.360 4.233 10 0 CIAEMN Cc1ccc(CN[C@@H](C)c2ccc(F)c(Cl)c2)c(C)n1 ZINC000187420796 329357682 /nfs/dbraw/zinc/35/76/82/329357682.db2.gz LZEOINWCWGBGFS-NSHDSACASA-N 0 1 292.785 4.342 10 0 CIAEMN CC[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000246014256 329766009 /nfs/dbraw/zinc/76/60/09/329766009.db2.gz IQMOKDDHPAYJAZ-XOKHGSTOSA-N 0 1 283.419 4.099 10 0 CIAEMN C[C@H]1CC[C@@H](NCc2ccncc2Cl)c2ccccc21 ZINC000527683807 330271133 /nfs/dbraw/zinc/27/11/33/330271133.db2.gz PPLFLNGUZVHSLD-YVEFUNNKSA-N 0 1 286.806 4.463 10 0 CIAEMN CC(C)Cc1ccc([C@H](C)N[C@H](C)c2cnccn2)cc1 ZINC000070478189 333813025 /nfs/dbraw/zinc/81/30/25/333813025.db2.gz LOMXNLRXDMAYKP-LSDHHAIUSA-N 0 1 283.419 4.087 10 0 CIAEMN c1ccc2c(c1)OC[C@@H]2NCc1cccc2ccccc21 ZINC000070529006 333814970 /nfs/dbraw/zinc/81/49/70/333814970.db2.gz IAPQYPYCYLKELI-SFHVURJKSA-N 0 1 275.351 4.063 10 0 CIAEMN CC[C@@H](COC)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735370 334161325 /nfs/dbraw/zinc/16/13/25/334161325.db2.gz CLEMCNZEKFCHBW-BDAKNGLRSA-N 0 1 294.197 4.208 10 0 CIAEMN C[C@H](N[C@@H]1CCCCc2ccccc21)c1nccs1 ZINC000080266416 334168961 /nfs/dbraw/zinc/16/89/61/334168961.db2.gz JVUWXAILFHXXLY-SWLSCSKDSA-N 0 1 272.417 4.261 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000246832936 334270384 /nfs/dbraw/zinc/27/03/84/334270384.db2.gz BUCKZNWCAVLLNP-QXFUBDJGSA-N 0 1 294.247 4.273 10 0 CIAEMN C[C@@H](c1ccccc1F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249730834 334339593 /nfs/dbraw/zinc/33/95/93/334339593.db2.gz SYGDLWJEVYANNP-WDEREUQCSA-N 0 1 275.289 4.161 10 0 CIAEMN C[C@H](N[C@H]1C[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000251795166 334369815 /nfs/dbraw/zinc/36/98/15/334369815.db2.gz XBFNBWFCBQAFBR-RBOXIYTFSA-N 0 1 273.326 4.172 10 0 CIAEMN CCN[C@@H](c1csc2ccccc12)c1nc(C)cs1 ZINC000054465622 520115147 /nfs/dbraw/zinc/11/51/47/520115147.db2.gz WTNXEMIPYWADSJ-AWEZNQCLSA-N 0 1 288.441 4.365 10 0 CIAEMN CC1(C)C[C@@H](NCc2ccsc2)c2ccccc2O1 ZINC000126888677 520524208 /nfs/dbraw/zinc/52/42/08/520524208.db2.gz APIOLPNALVKDHI-CQSZACIVSA-N 0 1 273.401 4.140 10 0 CIAEMN CC1(C)C[C@H](NCc2ccsc2)c2ccccc2O1 ZINC000126888439 520556158 /nfs/dbraw/zinc/55/61/58/520556158.db2.gz APIOLPNALVKDHI-AWEZNQCLSA-N 0 1 273.401 4.140 10 0 CIAEMN CCC[C@@H](c1cccs1)n1c(N)nc2ccccc21 ZINC000049546483 520811659 /nfs/dbraw/zinc/81/16/59/520811659.db2.gz NABDOMLWRCIQFC-ZDUSSCGKSA-N 0 1 271.389 4.070 10 0 CIAEMN COc1cc(CN[C@@H](C)c2ccc(C)o2)ccc1SC ZINC000069159326 522474254 /nfs/dbraw/zinc/47/42/54/522474254.db2.gz YABFPTKVURFBLO-LBPRGKRZSA-N 0 1 291.416 4.169 10 0 CIAEMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cccc(O)c1 ZINC000036961236 523857648 /nfs/dbraw/zinc/85/76/48/523857648.db2.gz CJTZMKOLMKTJLI-KBPBESRZSA-N 0 1 285.387 4.121 10 0 CIAEMN Cc1ccc(CN[C@@H](C)c2c(C)cc(C)cc2C)o1 ZINC000050198724 524591783 /nfs/dbraw/zinc/59/17/83/524591783.db2.gz IJVLBXFVTYEWBQ-HNNXBMFYSA-N 0 1 257.377 4.364 10 0 CIAEMN C[C@@H](NCc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000062705969 525513457 /nfs/dbraw/zinc/51/34/57/525513457.db2.gz UGOLRZXFYLSHCD-MRVPVSSYSA-N 0 1 271.307 4.016 10 0 CIAEMN COc1ccc2c(c1)nccc2Nc1cccc(C(C)=O)c1 ZINC000054202382 525605720 /nfs/dbraw/zinc/60/57/20/525605720.db2.gz HVPBSMDVIZGGJL-UHFFFAOYSA-N 0 1 292.338 4.190 10 0 CIAEMN Cc1cnc([C@H](C)NCC2CCC(C(F)(F)F)CC2)o1 ZINC000337284415 526156805 /nfs/dbraw/zinc/15/68/05/526156805.db2.gz JLLPNKCGRSUBJH-UNXYVOJBSA-N 0 1 290.329 4.002 10 0 CIAEMN S=c1cc(-c2ccccc2)[nH]n1C1CCCCC1 ZINC000052305689 526387849 /nfs/dbraw/zinc/38/78/49/526387849.db2.gz VGMGBAJXRPZCLO-UHFFFAOYSA-N 0 1 258.390 4.344 10 0 CIAEMN Cc1noc(C)c1CN[C@@H]1c2ccccc2CCC1(C)C ZINC000132743259 526516534 /nfs/dbraw/zinc/51/65/34/526516534.db2.gz UNPQDUSEQSYQCR-QGZVFWFLSA-N 0 1 284.403 4.095 10 0 CIAEMN c1csc([C@@H]2CCCCN2Cc2cccc3[nH]ccc32)n1 ZINC000127735777 526585780 /nfs/dbraw/zinc/58/57/80/526585780.db2.gz DLURMNPSSWYVSE-INIZCTEOSA-N 0 1 297.427 4.352 10 0 CIAEMN Cc1nc2cc(N[C@@H](C)c3ccsc3)ccc2[nH]1 ZINC000050343189 527148030 /nfs/dbraw/zinc/14/80/30/527148030.db2.gz GQVLSHOEYLHCNU-VIFPVBQESA-N 0 1 257.362 4.106 10 0 CIAEMN CCCCN(CCCC)[C@@H](C(=O)OCC)c1ccccc1 ZINC000095861416 185029934 /nfs/dbraw/zinc/02/99/34/185029934.db2.gz UOSBBMDSNMPFPS-QGZVFWFLSA-N 0 1 291.435 4.193 10 0 CIAEMN CCc1ccc([C@@H](N)c2cc3ccccc3o2)cc1 ZINC000020369117 171167189 /nfs/dbraw/zinc/16/71/89/171167189.db2.gz GIEILNYBZTVBPY-QGZVFWFLSA-N 0 1 251.329 4.043 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000020369042 171167260 /nfs/dbraw/zinc/16/72/60/171167260.db2.gz CSAZYPDINHABCG-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN CCc1ccc2oc([C@H](N)c3ccc(C)cc3)cc2c1 ZINC000020389453 171178146 /nfs/dbraw/zinc/17/81/46/171178146.db2.gz HAQMMOFEYAOVGH-GOSISDBHSA-N 0 1 265.356 4.352 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020389674 171178769 /nfs/dbraw/zinc/17/87/69/171178769.db2.gz NAXOWCUZRYLVNU-MRXNPFEDSA-N 0 1 271.747 4.443 10 0 CIAEMN CCc1ccc([C@@H](N)c2oc3ccccc3c2C)cc1 ZINC000020592892 171262438 /nfs/dbraw/zinc/26/24/38/171262438.db2.gz NDLDNIDFWUNTGL-QGZVFWFLSA-N 0 1 265.356 4.352 10 0 CIAEMN COc1ccc(Cl)cc1-c1nc2ccc(C)cc2[nH]1 ZINC000021005462 171285020 /nfs/dbraw/zinc/28/50/20/171285020.db2.gz IWLYWKKUZINUPU-UHFFFAOYSA-N 0 1 272.735 4.200 10 0 CIAEMN CC(C)(C)c1nc2ccc(NCc3ccccc3)cc2[nH]1 ZINC000021502697 171306429 /nfs/dbraw/zinc/30/64/29/171306429.db2.gz IEFDUWFMFXMJKD-UHFFFAOYSA-N 0 1 279.387 4.473 10 0 CIAEMN N[C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035381226 172163789 /nfs/dbraw/zinc/16/37/89/172163789.db2.gz GULHZYDUNDEXGZ-ZDUSSCGKSA-N 0 1 283.849 4.390 10 0 CIAEMN CC(C)(C)[C@@H](N)c1nc2cc(Br)ccc2s1 ZINC000035411299 172182757 /nfs/dbraw/zinc/18/27/57/172182757.db2.gz BJHQBADETYXPBW-JTQLQIEISA-N 0 1 299.237 4.105 10 0 CIAEMN CCc1ccc([C@@H](NC)c2c(F)cccc2Cl)s1 ZINC000035461260 172210023 /nfs/dbraw/zinc/21/00/23/172210023.db2.gz BXAPTRRBYWJBBN-CQSZACIVSA-N 0 1 283.799 4.412 10 0 CIAEMN CCc1ccc([C@H](NC)c2ccc(F)cc2Cl)s1 ZINC000035460933 172210176 /nfs/dbraw/zinc/21/01/76/172210176.db2.gz REDNGEXCDXDJSX-CQSZACIVSA-N 0 1 283.799 4.412 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035464142 172212582 /nfs/dbraw/zinc/21/25/82/172212582.db2.gz DYOPVUZPIMHHLO-CQSZACIVSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035464450 172212661 /nfs/dbraw/zinc/21/26/61/172212661.db2.gz AKJNYUSNLKYRPC-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035466353 172213950 /nfs/dbraw/zinc/21/39/50/172213950.db2.gz JZAUHGZOIIIZPM-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1ccc(C)cc1)c1cc(Cl)ccc1F ZINC000035466206 172214107 /nfs/dbraw/zinc/21/41/07/172214107.db2.gz YQTVFLAIBMRGCD-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035488291 172223195 /nfs/dbraw/zinc/22/31/95/172223195.db2.gz ZOQFPWVJDPKELA-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501442 172235684 /nfs/dbraw/zinc/23/56/84/172235684.db2.gz ABEHVKPOIFIHNS-GFCCVEGCSA-N 0 1 270.159 4.204 10 0 CIAEMN CN[C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035502001 172236679 /nfs/dbraw/zinc/23/66/79/172236679.db2.gz RLXALYOKPABCLK-VIFPVBQESA-N 0 1 272.097 4.206 10 0 CIAEMN CCN[C@H](c1ccccc1)c1cc(Cl)ccc1F ZINC000035540524 172246647 /nfs/dbraw/zinc/24/66/47/172246647.db2.gz GPSGZSZOTDYUPE-OAHLLOKOSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035543764 172252184 /nfs/dbraw/zinc/25/21/84/172252184.db2.gz SZYNRTNDIGQAHS-HNNXBMFYSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@H](c1cccs1)c1c(F)cccc1Cl ZINC000035545710 172253316 /nfs/dbraw/zinc/25/33/16/172253316.db2.gz NMXVGSAYVVUKNZ-CYBMUJFWSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035552390 172259134 /nfs/dbraw/zinc/25/91/34/172259134.db2.gz MSNABFVWUOGZIT-OAHLLOKOSA-N 0 1 281.371 4.342 10 0 CIAEMN CCN[C@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035552360 172259171 /nfs/dbraw/zinc/25/91/71/172259171.db2.gz RSCAAOSFTMDBIC-OAHLLOKOSA-N 0 1 281.371 4.342 10 0 CIAEMN CCN[C@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035558820 172264247 /nfs/dbraw/zinc/26/42/47/172264247.db2.gz RAZGCJWYCXUFFV-CQSZACIVSA-N 0 1 281.186 4.087 10 0 CIAEMN CCCN[C@@H](c1cccs1)c1c(F)cccc1F ZINC000035581235 172277427 /nfs/dbraw/zinc/27/74/27/172277427.db2.gz QTXDZKCYANMKRL-AWEZNQCLSA-N 0 1 267.344 4.115 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738624 172391827 /nfs/dbraw/zinc/39/18/27/172391827.db2.gz NSSLKCBDHZZBQA-STQMWFEESA-N 0 1 255.361 4.180 10 0 CIAEMN C[C@H](NCc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000037233116 173052134 /nfs/dbraw/zinc/05/21/34/173052134.db2.gz SZDJDLRDQKGPLJ-JTQLQIEISA-N 0 1 281.733 4.469 10 0 CIAEMN N[C@H](Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000037239309 173056177 /nfs/dbraw/zinc/05/61/77/173056177.db2.gz DTYSJKVQDHGWHV-GFCCVEGCSA-N 0 1 288.803 4.192 10 0 CIAEMN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2ccco2)c(C)n1 ZINC000037260488 173070580 /nfs/dbraw/zinc/07/05/80/173070580.db2.gz JABWOULWZKTUME-GXTWGEPZSA-N 0 1 258.365 4.012 10 0 CIAEMN C[C@H](N[C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260571 173070665 /nfs/dbraw/zinc/07/06/65/173070665.db2.gz IXMNLQQPHUWCTG-ZBEGNZNMSA-N 0 1 259.324 4.221 10 0 CIAEMN N[C@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000037379621 173167101 /nfs/dbraw/zinc/16/71/01/173167101.db2.gz VNVSLHSDTYDPEM-JTQLQIEISA-N 0 1 294.153 4.381 10 0 CIAEMN N[C@H](c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000037378664 173167370 /nfs/dbraw/zinc/16/73/70/173167370.db2.gz GHADBABYZOHGIR-CYBMUJFWSA-N 0 1 288.124 4.320 10 0 CIAEMN CC(C)(C)[C@@H](N)c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444395 173211946 /nfs/dbraw/zinc/21/19/46/173211946.db2.gz ODFWUHGCSKPQQS-ZDUSSCGKSA-N 0 1 277.799 4.071 10 0 CIAEMN Cc1cc2nc(-c3ccc(C)c(C)c3)[nH]c2c(C)c1 ZINC000073638586 176480348 /nfs/dbraw/zinc/48/03/48/176480348.db2.gz ZGHWDGYIRNIEQI-UHFFFAOYSA-N 0 1 250.345 4.464 10 0 CIAEMN Cc1ccc2nc(Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000034398499 228043682 /nfs/dbraw/zinc/04/36/82/228043682.db2.gz AKSMHFKIAZNJAL-UHFFFAOYSA-N 0 1 256.736 4.116 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000071170219 260160488 /nfs/dbraw/zinc/16/04/88/260160488.db2.gz JVVCNYXAZOKDHI-CYBMUJFWSA-N 0 1 285.387 4.152 10 0 CIAEMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)cc1 ZINC000092195758 260268063 /nfs/dbraw/zinc/26/80/63/260268063.db2.gz UFOSUSCXHCRTCD-OLZOCXBDSA-N 0 1 272.367 4.195 10 0 CIAEMN CCc1nc2c(s1)[C@H](N[C@H](C)c1ccc(C)o1)CCC2 ZINC000158142074 261159163 /nfs/dbraw/zinc/15/91/63/261159163.db2.gz UVKBRTLBEXGTCW-VXGBXAGGSA-N 0 1 290.432 4.335 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168723 261159840 /nfs/dbraw/zinc/15/98/40/261159840.db2.gz MLEJYKHVOPBDPE-QWHCGFSZSA-N 0 1 290.382 4.205 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158169113 261160105 /nfs/dbraw/zinc/16/01/05/261160105.db2.gz MLEJYKHVOPBDPE-OLZOCXBDSA-N 0 1 290.382 4.205 10 0 CIAEMN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000186073901 262078431 /nfs/dbraw/zinc/07/84/31/262078431.db2.gz QEVBKHQIGLHIKL-VHSXEESVSA-N 0 1 297.370 4.447 10 0 CIAEMN CCn1nc(C)c([C@H](C)NCc2cccc(Cl)c2)c1C ZINC000053148139 327711344 /nfs/dbraw/zinc/71/13/44/327711344.db2.gz XULIELYRSVBRHZ-NSHDSACASA-N 0 1 291.826 4.024 10 0 CIAEMN CCc1ccc(CN[C@@H](C)c2ccc(C)cc2C)o1 ZINC000051724345 328630314 /nfs/dbraw/zinc/63/03/14/328630314.db2.gz JXPJGXGDWJGYMS-AWEZNQCLSA-N 0 1 257.377 4.310 10 0 CIAEMN Cc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1C ZINC000054375542 328692325 /nfs/dbraw/zinc/69/23/25/328692325.db2.gz JFPLJDQCKZOOOD-AWEZNQCLSA-N 0 1 279.387 4.031 10 0 CIAEMN CC(C)n1cc(CN[C@H](C)c2ccc(Cl)s2)cn1 ZINC000226240044 329258811 /nfs/dbraw/zinc/25/88/11/329258811.db2.gz JVGJVOPMTUQOBO-SNVBAGLBSA-N 0 1 283.828 4.030 10 0 CIAEMN Cc1cnc([C@@H](C)NC2CCC(C(C)(C)C)CC2)o1 ZINC000227555759 333285416 /nfs/dbraw/zinc/28/54/16/333285416.db2.gz SHYIXBJLZZZUHN-IYXRBSQSSA-N 0 1 264.413 4.239 10 0 CIAEMN Cc1cnc([C@H](C)NCC2CCC(C(C)(C)C)CC2)o1 ZINC000230644478 333319502 /nfs/dbraw/zinc/31/95/02/333319502.db2.gz UGEYTBSYNKDYMT-NFOMZHRRSA-N 0 1 278.440 4.486 10 0 CIAEMN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(Cl)s1 ZINC000037284748 333531472 /nfs/dbraw/zinc/53/14/72/333531472.db2.gz BZGFAPIPPFXBAH-SNVBAGLBSA-N 0 1 297.855 4.204 10 0 CIAEMN C[C@@H](N[C@H]1CCCCc2ccccc21)c1nccs1 ZINC000080266424 334168952 /nfs/dbraw/zinc/16/89/52/334168952.db2.gz JVUWXAILFHXXLY-DOMZBBRYSA-N 0 1 272.417 4.261 10 0 CIAEMN Fc1ccc2c(c1)[C@H](N1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000248371282 334299457 /nfs/dbraw/zinc/29/94/57/334299457.db2.gz YMFBSBMEODPJNW-BXUZGUMPSA-N 0 1 287.300 4.087 10 0 CIAEMN CCCNc1ccc(Cl)c(CN(C)[C@H](C)CCC)n1 ZINC000061631316 520161707 /nfs/dbraw/zinc/16/17/07/520161707.db2.gz ZWUDWPFIYFASNT-GFCCVEGCSA-N 0 1 283.847 4.177 10 0 CIAEMN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738831 520429026 /nfs/dbraw/zinc/42/90/26/520429026.db2.gz KUCMVXVRQQRSSS-KBPBESRZSA-N 0 1 273.376 4.480 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@H](C)[C@@H](C)CC ZINC000052853946 521541949 /nfs/dbraw/zinc/54/19/49/521541949.db2.gz LEVFJTIDDQOHTE-NWDGAFQWSA-N 0 1 259.397 4.178 10 0 CIAEMN CN[C@@H](c1cc(F)cc(F)c1)c1ccc(Cl)cc1F ZINC000062786227 522368047 /nfs/dbraw/zinc/36/80/47/522368047.db2.gz RPPYZRIGLNPRPN-AWEZNQCLSA-N 0 1 285.696 4.066 10 0 CIAEMN CN[C@H](c1ccccc1Cl)c1cc(Cl)ccc1OC ZINC000055228285 522484801 /nfs/dbraw/zinc/48/48/01/522484801.db2.gz OEXLSTXIUCOONN-OAHLLOKOSA-N 0 1 296.197 4.311 10 0 CIAEMN CC[C@H](NC1=N[C@H](CC(C)C)CS1)c1cccs1 ZINC000049531679 522560721 /nfs/dbraw/zinc/56/07/21/522560721.db2.gz QUORVOIPUIZXJK-NEPJUHHUSA-N 0 1 282.478 4.306 10 0 CIAEMN CC[C@@H](NC1=N[C@H](CC(C)C)CS1)c1cccs1 ZINC000049531680 522807903 /nfs/dbraw/zinc/80/79/03/522807903.db2.gz QUORVOIPUIZXJK-VXGBXAGGSA-N 0 1 282.478 4.306 10 0 CIAEMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1OC ZINC000036960584 525162338 /nfs/dbraw/zinc/16/23/38/525162338.db2.gz BHFZMTGOKGAKRZ-CHWSQXEVSA-N 0 1 289.375 4.017 10 0 CIAEMN C[C@@H](NC1=NC[C@H](c2ccccc2)S1)c1ccsc1 ZINC000061365251 525394302 /nfs/dbraw/zinc/39/43/02/525394302.db2.gz IHZQSPLNQRKZJG-BXUZGUMPSA-N 0 1 288.441 4.243 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccccc2N(C)C)o1 ZINC000093941434 525943918 /nfs/dbraw/zinc/94/39/18/525943918.db2.gz QVPOBONODUMQFJ-KGLIPLIRSA-N 0 1 272.392 4.066 10 0 CIAEMN c1csc([C@H]2CCCCN2Cc2cccc3[nH]ccc32)n1 ZINC000127735560 526587391 /nfs/dbraw/zinc/58/73/91/526587391.db2.gz DLURMNPSSWYVSE-MRXNPFEDSA-N 0 1 297.427 4.352 10 0 CIAEMN Cc1nc2cc(N)ccc2n1C(C)(C)CC(C)(C)C ZINC000052855267 527121806 /nfs/dbraw/zinc/12/18/06/527121806.db2.gz UUODXWHJNKJYDU-UHFFFAOYSA-N 0 1 259.397 4.098 10 0 CIAEMN Cc1ccc2nc(S[C@H](C)c3ccccn3)[nH]c2c1 ZINC000039372860 567088829 /nfs/dbraw/zinc/08/88/29/567088829.db2.gz UWUJHAHZXVCQFT-LLVKDONJSA-N 0 1 269.373 4.120 10 0 CIAEMN Cc1nc(CN[C@@H](C)c2ccc(C)c(C)c2)sc1C ZINC000153878863 261084436 /nfs/dbraw/zinc/08/44/36/261084436.db2.gz XPQCINOILAQLSH-ZDUSSCGKSA-N 0 1 274.433 4.228 10 0 CIAEMN CC(C)c1ccccc1-c1n[nH]c(-c2ccccc2)n1 ZINC000005761687 170137708 /nfs/dbraw/zinc/13/77/08/170137708.db2.gz UZYSRLVDUAGZEI-UHFFFAOYSA-N 0 1 263.344 4.262 10 0 CIAEMN CC(C)c1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000005761687 170137710 /nfs/dbraw/zinc/13/77/10/170137710.db2.gz UZYSRLVDUAGZEI-UHFFFAOYSA-N 0 1 263.344 4.262 10 0 CIAEMN O=c1c2cc(Cl)ccc2[nH]c(=S)n1C1CCCCC1 ZINC000007043963 170263884 /nfs/dbraw/zinc/26/38/84/170263884.db2.gz WHGGKVGUPGCORL-UHFFFAOYSA-N 0 1 294.807 4.218 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124026 171005424 /nfs/dbraw/zinc/00/54/24/171005424.db2.gz HCDLSQCKSYUEQG-VXGBXAGGSA-N 0 1 275.779 4.457 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(O)cc1)c1ccccc1Cl ZINC000020124027 171005748 /nfs/dbraw/zinc/00/57/48/171005748.db2.gz HCDLSQCKSYUEQG-NWDGAFQWSA-N 0 1 275.779 4.457 10 0 CIAEMN C[C@@H](NCc1ccc(Cl)s1)c1cccc(F)c1 ZINC000020148049 171034939 /nfs/dbraw/zinc/03/49/39/171034939.db2.gz WUZSNRNOXSUTKR-SECBINFHSA-N 0 1 269.772 4.391 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cccs1)c1cc(F)ccc1F ZINC000020148445 171035790 /nfs/dbraw/zinc/03/57/90/171035790.db2.gz VFWLRFLPXVDHKJ-ZJUUUORDSA-N 0 1 267.344 4.438 10 0 CIAEMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148444 171036339 /nfs/dbraw/zinc/03/63/39/171036339.db2.gz VFWLRFLPXVDHKJ-NXEZZACHSA-N 0 1 267.344 4.438 10 0 CIAEMN N[C@@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000020375251 171170085 /nfs/dbraw/zinc/17/00/85/171170085.db2.gz GHCZWBIRQGBPRF-LLVKDONJSA-N 0 1 291.725 4.468 10 0 CIAEMN N[C@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000020375247 171170611 /nfs/dbraw/zinc/17/06/11/171170611.db2.gz GHCZWBIRQGBPRF-NSHDSACASA-N 0 1 291.725 4.468 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000020389362 171178040 /nfs/dbraw/zinc/17/80/40/171178040.db2.gz QZLQGYLJENMIDV-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN CCCCCNc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000021011568 171287070 /nfs/dbraw/zinc/28/70/70/171287070.db2.gz ZKQWAWABACQABS-UHFFFAOYSA-N 0 1 259.397 4.463 10 0 CIAEMN CCCCCNc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000021011568 171287072 /nfs/dbraw/zinc/28/70/72/171287072.db2.gz ZKQWAWABACQABS-UHFFFAOYSA-N 0 1 259.397 4.463 10 0 CIAEMN C[C@@H](Nc1ccc2c[nH]nc2c1)c1ccccc1Cl ZINC000035019091 171937866 /nfs/dbraw/zinc/93/78/66/171937866.db2.gz DFXWSYRKRYVCGW-SNVBAGLBSA-N 0 1 271.751 4.389 10 0 CIAEMN C[C@H](NC1=N[C@@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287071 172105172 /nfs/dbraw/zinc/10/51/72/172105172.db2.gz DCQABHHPUUUJOE-YUMQZZPRSA-N 0 1 289.231 4.135 10 0 CIAEMN C[C@@H](NC1=N[C@@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287073 172105369 /nfs/dbraw/zinc/10/53/69/172105369.db2.gz DCQABHHPUUUJOE-JGVFFNPUSA-N 0 1 289.231 4.135 10 0 CIAEMN N[C@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035381228 172163414 /nfs/dbraw/zinc/16/34/14/172163414.db2.gz GULHZYDUNDEXGZ-CYBMUJFWSA-N 0 1 283.849 4.390 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1OC ZINC000035464360 172212349 /nfs/dbraw/zinc/21/23/49/172212349.db2.gz FKKUIXIGQZIICB-HNNXBMFYSA-N 0 1 296.197 4.311 10 0 CIAEMN CN[C@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035465445 172213140 /nfs/dbraw/zinc/21/31/40/172213140.db2.gz WGQAKHNXMFEAPK-CQSZACIVSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035466209 172213646 /nfs/dbraw/zinc/21/36/46/172213646.db2.gz IZAQPWXKVFYVNU-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035498019 172231196 /nfs/dbraw/zinc/23/11/96/172231196.db2.gz ZMPJMWJNQBJDAN-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@@H](c1cc(C)sc1C)c1c(F)cccc1Cl ZINC000035497881 172231662 /nfs/dbraw/zinc/23/16/62/172231662.db2.gz KPEAXIOZWYHAOD-AWEZNQCLSA-N 0 1 283.799 4.466 10 0 CIAEMN CN[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035501583 172235373 /nfs/dbraw/zinc/23/53/73/172235373.db2.gz VLNLGNDVFQWHDN-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501443 172235957 /nfs/dbraw/zinc/23/59/57/172235957.db2.gz ABEHVKPOIFIHNS-LBPRGKRZSA-N 0 1 270.159 4.204 10 0 CIAEMN CCN[C@@H](c1occc1C)c1ccc(Br)cc1 ZINC000035538796 172245750 /nfs/dbraw/zinc/24/57/50/172245750.db2.gz AJLBWEUHZPTKBI-CYBMUJFWSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035540300 172246344 /nfs/dbraw/zinc/24/63/44/172246344.db2.gz NHSFYQVEGIWBQZ-HNNXBMFYSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000035541078 172247726 /nfs/dbraw/zinc/24/77/26/172247726.db2.gz JCXFYEABFPLHHP-INIZCTEOSA-N 0 1 277.770 4.486 10 0 CIAEMN CCN[C@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035544530 172252998 /nfs/dbraw/zinc/25/29/98/172252998.db2.gz FZEJVXXGXCGDEJ-CQSZACIVSA-N 0 1 285.334 4.173 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(Cl)s1 ZINC000035738464 172392157 /nfs/dbraw/zinc/39/21/57/172392157.db2.gz ISNZWZZGIZHSDQ-DTWKUNHWSA-N 0 1 255.770 4.406 10 0 CIAEMN COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ccco1 ZINC000035738751 172392550 /nfs/dbraw/zinc/39/25/50/172392550.db2.gz CGQFKNNTUZSGBG-WBMJQRKESA-N 0 1 271.360 4.016 10 0 CIAEMN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739046 172393238 /nfs/dbraw/zinc/39/32/38/172393238.db2.gz KHFVQDLXXRWNLF-GHMZBOCLSA-N 0 1 294.192 4.454 10 0 CIAEMN C[C@@H](N[C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260569 173070570 /nfs/dbraw/zinc/07/05/70/173070570.db2.gz IXMNLQQPHUWCTG-BDJLRTHQSA-N 0 1 259.324 4.221 10 0 CIAEMN Clc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000037394883 173175034 /nfs/dbraw/zinc/17/50/34/173175034.db2.gz BGAVDJUDWBBLDB-UHFFFAOYSA-N 0 1 292.169 4.482 10 0 CIAEMN CN[C@@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078611 174088909 /nfs/dbraw/zinc/08/89/09/174088909.db2.gz KGOGMDKWSNPSOE-HNNXBMFYSA-N 0 1 263.743 4.096 10 0 CIAEMN CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2[nH]1 ZINC000038922765 174159767 /nfs/dbraw/zinc/15/97/67/174159767.db2.gz PBNBFSURMQVUNX-UHFFFAOYSA-N 0 1 290.370 4.069 10 0 CIAEMN Cc1cc(Nc2ccccc2F)c2ccccc2n1 ZINC000040400786 174253066 /nfs/dbraw/zinc/25/30/66/174253066.db2.gz TZXCGWDSCSSHNL-UHFFFAOYSA-N 0 1 252.292 4.426 10 0 CIAEMN CCN[C@@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784477 177091918 /nfs/dbraw/zinc/09/19/18/177091918.db2.gz QPZHYHVHANEPIT-JTQLQIEISA-N 0 1 280.824 4.058 10 0 CIAEMN CC(C)(C)c1c2ccc3ccccc3c2oc1CN ZINC000077072282 177188499 /nfs/dbraw/zinc/18/84/99/177188499.db2.gz VFZGXBMBHJNMOF-UHFFFAOYSA-N 0 1 253.345 4.342 10 0 CIAEMN CCn1cccc1CN[C@@H](C)c1cc2ccccc2o1 ZINC000091024470 260265184 /nfs/dbraw/zinc/26/51/84/260265184.db2.gz NSWAKOVNBFUVQY-ZDUSSCGKSA-N 0 1 268.360 4.105 10 0 CIAEMN CCn1cccc1CN[C@H](C)c1cc2ccccc2o1 ZINC000091024472 260265191 /nfs/dbraw/zinc/26/51/91/260265191.db2.gz NSWAKOVNBFUVQY-CYBMUJFWSA-N 0 1 268.360 4.105 10 0 CIAEMN Cc1ccc(CN[C@@H](C)c2ccc(C(C)C)cc2)nc1 ZINC000161725144 261142003 /nfs/dbraw/zinc/14/20/03/261142003.db2.gz NYSMVDMRKQITOR-HNNXBMFYSA-N 0 1 268.404 4.364 10 0 CIAEMN CCn1c2ccccc2nc1[C@H](C)NCc1ccc(C)s1 ZINC000127054791 264247128 /nfs/dbraw/zinc/24/71/28/264247128.db2.gz WUSKJTZGTFCFGO-ZDUSSCGKSA-N 0 1 299.443 4.277 10 0 CIAEMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496836 265366416 /nfs/dbraw/zinc/36/64/16/265366416.db2.gz JAKVMOHDCBNLHY-BMLIUANNSA-N 0 1 291.316 4.442 10 0 CIAEMN CCOc1ccccc1[C@@H](C)NCc1csc(C)c1 ZINC000381267493 327245651 /nfs/dbraw/zinc/24/56/51/327245651.db2.gz GTXBLBTVJOXGHV-CYBMUJFWSA-N 0 1 275.417 4.306 10 0 CIAEMN COc1ccccc1[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC000053149947 328663678 /nfs/dbraw/zinc/66/36/78/328663678.db2.gz GSGYFMNEXLFOHF-LLVKDONJSA-N 0 1 293.769 4.339 10 0 CIAEMN CC1(C)Cc2occc2[C@H](N[C@H]2CCOc3ccccc32)C1 ZINC000178273704 329195404 /nfs/dbraw/zinc/19/54/04/329195404.db2.gz WZQIMQOOWZHAMG-JKSUJKDBSA-N 0 1 297.398 4.407 10 0 CIAEMN CCC[C@@H](N[C@@H]1CCOc2ccccc21)c1ccccn1 ZINC000178662940 329201852 /nfs/dbraw/zinc/20/18/52/329201852.db2.gz FVSWHMOCXCFTRJ-NVXWUHKLSA-N 0 1 282.387 4.036 10 0 CIAEMN C[C@@H]1CC[C@@H](NCc2ccncc2Cl)c2ccccc21 ZINC000527683806 330271162 /nfs/dbraw/zinc/27/11/62/330271162.db2.gz PPLFLNGUZVHSLD-SJKOYZFVSA-N 0 1 286.806 4.463 10 0 CIAEMN C[C@H]1CC[C@H](NCc2ccncc2Cl)c2ccccc21 ZINC000527683803 330271255 /nfs/dbraw/zinc/27/12/55/330271255.db2.gz PPLFLNGUZVHSLD-SJCJKPOMSA-N 0 1 286.806 4.463 10 0 CIAEMN CCc1ccc([C@@H](C)NCc2ncc(C)c(OC)c2C)cc1 ZINC000121436520 330401255 /nfs/dbraw/zinc/40/12/55/330401255.db2.gz XNOJDGDCOLOAEX-OAHLLOKOSA-N 0 1 298.430 4.120 10 0 CIAEMN Fc1ccc2c(c1)[C@@H](N1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673197 333061558 /nfs/dbraw/zinc/06/15/58/333061558.db2.gz YMFBSBMEODPJNW-FZMZJTMJSA-N 0 1 287.300 4.087 10 0 CIAEMN Cc1cnc([C@H](C)NC2CC(c3cccc(Cl)c3)C2)o1 ZINC000220947206 333171237 /nfs/dbraw/zinc/17/12/37/333171237.db2.gz KNEYAMXKBPUKAU-ZOODHJKOSA-N 0 1 290.794 4.233 10 0 CIAEMN Cc1ccc(F)c(CN[C@@H](C)c2ccccc2C)c1 ZINC000227281033 333279254 /nfs/dbraw/zinc/27/92/54/333279254.db2.gz GCDYBSXGNCIOEU-AWEZNQCLSA-N 0 1 257.352 4.293 10 0 CIAEMN Cc1cccc([C@H](C)NCc2cc(F)c(F)cc2F)c1 ZINC000227326941 333280815 /nfs/dbraw/zinc/28/08/15/333280815.db2.gz XSQMVWHESCAACU-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](CC(C)C)C2)o1 ZINC000232604531 333339405 /nfs/dbraw/zinc/33/94/05/333339405.db2.gz VYUXAHXSIQIVOE-SOUVJXGZSA-N 0 1 264.413 4.239 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H]2CCCc3ccc(O)cc32)o1 ZINC000235517310 333370519 /nfs/dbraw/zinc/37/05/19/333370519.db2.gz YFSBZIXUFHCZDZ-BLLLJJGKSA-N 0 1 271.360 4.022 10 0 CIAEMN Cc1cccnc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000071339380 333854874 /nfs/dbraw/zinc/85/48/74/333854874.db2.gz KPHUMNZQHIGLGC-OAHLLOKOSA-N 0 1 276.383 4.394 10 0 CIAEMN CC[C@H](COC)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735367 334161384 /nfs/dbraw/zinc/16/13/84/334161384.db2.gz CLEMCNZEKFCHBW-DTWKUNHWSA-N 0 1 294.197 4.208 10 0 CIAEMN CCCNc1ccc(Cl)c(CN(C)[C@@H](C)CCC)n1 ZINC000061631318 520162394 /nfs/dbraw/zinc/16/23/94/520162394.db2.gz ZWUDWPFIYFASNT-LBPRGKRZSA-N 0 1 283.847 4.177 10 0 CIAEMN CC(C)[C@H](c1cccs1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601111 519824236 /nfs/dbraw/zinc/82/42/36/519824236.db2.gz OEUOVNWIUMBIDQ-DVOMOZLQSA-N 0 1 277.433 4.031 10 0 CIAEMN Fc1ccc2c(c1)nccc2N1CC[C@@H]2CCCC[C@@H]21 ZINC000301581839 534504821 /nfs/dbraw/zinc/50/48/21/534504821.db2.gz PTCBJSZQPRWJCS-LRDDRELGSA-N 0 1 270.351 4.143 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@@H](C)[C@@H](C)CC ZINC000052853945 521541452 /nfs/dbraw/zinc/54/14/52/521541452.db2.gz LEVFJTIDDQOHTE-RYUDHWBXSA-N 0 1 259.397 4.178 10 0 CIAEMN CCc1ncc(CN[C@@H](C)c2cccc(Cl)c2)s1 ZINC000037923852 522553749 /nfs/dbraw/zinc/55/37/49/522553749.db2.gz KABQNXGPEMMMNT-JTQLQIEISA-N 0 1 280.824 4.210 10 0 CIAEMN CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1N ZINC000050443039 523226918 /nfs/dbraw/zinc/22/69/18/523226918.db2.gz YJAXEBIUCOJWRD-UHFFFAOYSA-N 0 1 295.213 4.208 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274946522 525417354 /nfs/dbraw/zinc/41/73/54/525417354.db2.gz UMXKQUFUNIKHFC-QWHCGFSZSA-N 0 1 274.795 4.455 10 0 CIAEMN Cc1cc([C@H](C)NCc2ccc(F)cc2C)c(C)o1 ZINC000050577721 525521555 /nfs/dbraw/zinc/52/15/55/525521555.db2.gz JWQVDSGJLYJFRX-LBPRGKRZSA-N 0 1 261.340 4.195 10 0 CIAEMN Cc1ccc([C@@H](C)NC2=N[C@@H](CC(C)C)CS2)s1 ZINC000049185396 525720302 /nfs/dbraw/zinc/72/03/02/525720302.db2.gz LFNLFJLLORYVDF-NEPJUHHUSA-N 0 1 282.478 4.225 10 0 CIAEMN c1nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2[nH]1 ZINC000059352958 526608283 /nfs/dbraw/zinc/60/82/83/526608283.db2.gz HKVOQLCJPDIMDF-UHFFFAOYSA-N 0 1 284.322 4.259 10 0 CIAEMN CCN[C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000040940845 567891009 /nfs/dbraw/zinc/89/10/09/567891009.db2.gz BIGHARZXRMFHIB-AWEZNQCLSA-N 0 1 281.186 4.087 10 0 CIAEMN Cc1cc2nc(Cc3ccc(Cl)cc3)[nH]c2c(C)c1 ZINC000073638845 567893704 /nfs/dbraw/zinc/89/37/04/567893704.db2.gz YGIMSXJLUXWPJX-UHFFFAOYSA-N 0 1 270.763 4.424 10 0 CIAEMN CCCC[C@@H]1CN(Cc2ccncc2)Cc2ccccc2O1 ZINC000011913386 567928866 /nfs/dbraw/zinc/92/88/66/567928866.db2.gz AJPZDPRQZNOOLU-GOSISDBHSA-N 0 1 296.414 4.035 10 0 CIAEMN CC(C)c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000116602846 570265555 /nfs/dbraw/zinc/26/55/55/570265555.db2.gz MFRZZRZKZOFFLU-UHFFFAOYSA-N 0 1 271.147 4.008 10 0 CIAEMN c1ccc2c(c1)OC1(CCCC1)C[C@@H]2NCc1ccncc1 ZINC000082508646 178074866 /nfs/dbraw/zinc/07/48/66/178074866.db2.gz GUFYBTQTLMDGSK-KRWDZBQOSA-N 0 1 294.398 4.008 10 0 CIAEMN CC(C)n1c(N)c(C(C)(C)C)nc1C1CCCCC1 ZINC000103501851 185845419 /nfs/dbraw/zinc/84/54/19/185845419.db2.gz GDZUQJSQGVLQLG-UHFFFAOYSA-N 0 1 263.429 4.391 10 0 CIAEMN CCC[C@H](C)c1nc(C(C)C)n(C(C)(C)C)c1N ZINC000103502708 185846623 /nfs/dbraw/zinc/84/66/23/185846623.db2.gz LLOCBLOTAOKJLL-NSHDSACASA-N 0 1 251.418 4.247 10 0 CIAEMN CC(C)(C)[N@H+]1C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000105163488 186045322 /nfs/dbraw/zinc/04/53/22/186045322.db2.gz ZCTKIUWMGOTRNW-ZWKOTPCHSA-N 0 1 293.410 4.341 10 0 CIAEMN CC(C)(C)N1C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000105163488 186045323 /nfs/dbraw/zinc/04/53/23/186045323.db2.gz ZCTKIUWMGOTRNW-ZWKOTPCHSA-N 0 1 293.410 4.341 10 0 CIAEMN CCCCc1ccccc1-c1n[nH]c(-c2ccccc2)n1 ZINC000005832417 170145145 /nfs/dbraw/zinc/14/51/45/170145145.db2.gz NEEHHGCSOUSERQ-UHFFFAOYSA-N 0 1 277.371 4.481 10 0 CIAEMN CCCCc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000005832417 170145147 /nfs/dbraw/zinc/14/51/47/170145147.db2.gz NEEHHGCSOUSERQ-UHFFFAOYSA-N 0 1 277.371 4.481 10 0 CIAEMN Cc1ccccc1-c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000006071959 170174360 /nfs/dbraw/zinc/17/43/60/170174360.db2.gz AOBQVORYICVDOJ-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Cc1ccccc1-c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006071959 170174362 /nfs/dbraw/zinc/17/43/62/170174362.db2.gz AOBQVORYICVDOJ-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Cc1ccc(-c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000008550625 170339915 /nfs/dbraw/zinc/33/99/15/170339915.db2.gz HJYKQVPQNQMKRI-UHFFFAOYSA-N 0 1 299.761 4.013 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124024 171005873 /nfs/dbraw/zinc/00/58/73/171005873.db2.gz HCDLSQCKSYUEQG-NEPJUHHUSA-N 0 1 275.779 4.457 10 0 CIAEMN Cc1ccccc1[C@H](C)NCc1nc2ccccc2s1 ZINC000020136230 171023903 /nfs/dbraw/zinc/02/39/03/171023903.db2.gz DVQDJOMEHHQKRH-ZDUSSCGKSA-N 0 1 282.412 4.456 10 0 CIAEMN Oc1ccc([C@@H](NCc2cccs2)c2ccccc2)cc1 ZINC000020139070 171026357 /nfs/dbraw/zinc/02/63/57/171026357.db2.gz DPJHBPFYLAXWJA-SFHVURJKSA-N 0 1 295.407 4.333 10 0 CIAEMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148443 171035858 /nfs/dbraw/zinc/03/58/58/171035858.db2.gz VFWLRFLPXVDHKJ-UWVGGRQHSA-N 0 1 267.344 4.438 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cccs1)c1nc2ccccc2n1C ZINC000020148457 171037051 /nfs/dbraw/zinc/03/70/51/171037051.db2.gz ODXPIGJQTISUTN-NWDGAFQWSA-N 0 1 285.416 4.047 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3cccc(C)c3o2)cc1 ZINC000020389191 171178079 /nfs/dbraw/zinc/17/80/79/171178079.db2.gz UUFOLTBVBHVQPL-INIZCTEOSA-N 0 1 251.329 4.098 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3ccc(C)cc3o2)cc1 ZINC000020389274 171178415 /nfs/dbraw/zinc/17/84/15/171178415.db2.gz LWHUXPWRDBKFSM-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN Clc1nc2ccccc2cc1CNCc1cccs1 ZINC000020935445 171281289 /nfs/dbraw/zinc/28/12/89/171281289.db2.gz ZQBKCMZHQRZDFN-UHFFFAOYSA-N 0 1 288.803 4.240 10 0 CIAEMN C[C@@H](NCc1ccc(F)c(Br)c1)c1ccco1 ZINC000035137066 172003616 /nfs/dbraw/zinc/00/36/16/172003616.db2.gz BAUFQDQZQBMAEG-SECBINFHSA-N 0 1 298.155 4.032 10 0 CIAEMN Fc1ccc(CN[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000035221909 172064472 /nfs/dbraw/zinc/06/44/72/172064472.db2.gz VHUAKHCDKBGIEF-INIZCTEOSA-N 0 1 275.754 4.256 10 0 CIAEMN Cc1ccc([C@H](N)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000035380891 172163755 /nfs/dbraw/zinc/16/37/55/172163755.db2.gz PVOUPBDMYDJBDK-KRWDZBQOSA-N 0 1 257.377 4.178 10 0 CIAEMN N[C@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035382488 172165117 /nfs/dbraw/zinc/16/51/17/172165117.db2.gz CFYCYWBTUNUCSJ-QMMMGPOBSA-N 0 1 264.202 4.165 10 0 CIAEMN Cc1cc([C@H](N)c2cc(Cl)sc2Cl)c(C)o1 ZINC000035382474 172165706 /nfs/dbraw/zinc/16/57/06/172165706.db2.gz FLCVVJODFBMPFP-JTQLQIEISA-N 0 1 276.188 4.313 10 0 CIAEMN CCCC[C@@H](N)c1nc2cc(Br)ccc2s1 ZINC000035411301 172183057 /nfs/dbraw/zinc/18/30/57/172183057.db2.gz DCJGRGQIQNTYCN-SECBINFHSA-N 0 1 299.237 4.249 10 0 CIAEMN CN[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000035463968 172211293 /nfs/dbraw/zinc/21/12/93/172211293.db2.gz RAYIJPZSRCFPOV-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035465453 172212894 /nfs/dbraw/zinc/21/28/94/172212894.db2.gz UYAJNBDQIIWTSM-CQSZACIVSA-N 0 1 266.171 4.302 10 0 CIAEMN CCN[C@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035539892 172246451 /nfs/dbraw/zinc/24/64/51/172246451.db2.gz CFPKFRHOLALXGJ-OAHLLOKOSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035553326 172260057 /nfs/dbraw/zinc/26/00/57/172260057.db2.gz INGFCFURSBEPKR-CYBMUJFWSA-N 0 1 287.762 4.379 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035552873 172260206 /nfs/dbraw/zinc/26/02/06/172260206.db2.gz HLWMKCOEWGOIRH-GFCCVEGCSA-N 0 1 255.770 4.002 10 0 CIAEMN CCN[C@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035557881 172263222 /nfs/dbraw/zinc/26/32/22/172263222.db2.gz ZGNODMMOBIVIKM-ZDUSSCGKSA-N 0 1 270.159 4.285 10 0 CIAEMN CCCN[C@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035585536 172284511 /nfs/dbraw/zinc/28/45/11/172284511.db2.gz WMOLYAWOOWIERN-GXSJLCMTSA-N 0 1 294.247 4.275 10 0 CIAEMN N[C@@H](Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000037239402 173056381 /nfs/dbraw/zinc/05/63/81/173056381.db2.gz CBLRHUGGJUXBTI-LBPRGKRZSA-N 0 1 288.803 4.192 10 0 CIAEMN Cc1nc2cc(N[C@H](C)C3CCCCC3)ccc2[nH]1 ZINC000037318344 173118498 /nfs/dbraw/zinc/11/84/98/173118498.db2.gz VWMABWJVJFXNOS-LLVKDONJSA-N 0 1 257.381 4.252 10 0 CIAEMN CCCN(C(C)C)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415036 173191716 /nfs/dbraw/zinc/19/17/16/173191716.db2.gz ZNIJREPDAGKHQC-GFCCVEGCSA-N 0 1 267.800 4.032 10 0 CIAEMN CCCn1c2ccc(Cl)cc2nc1[C@H](N)C(C)(C)C ZINC000037440524 173210185 /nfs/dbraw/zinc/21/01/85/173210185.db2.gz GWBILPZUSMXYGW-ZDUSSCGKSA-N 0 1 279.815 4.146 10 0 CIAEMN N[C@@H](c1nc2cc(F)ccc2s1)C1CCCCC1 ZINC000038036884 174036923 /nfs/dbraw/zinc/03/69/23/174036923.db2.gz PYOGGXVFFFIQAZ-CYBMUJFWSA-N 0 1 264.369 4.016 10 0 CIAEMN N[C@H](c1nc2cc(F)ccc2s1)C1CCCCC1 ZINC000038036885 174037039 /nfs/dbraw/zinc/03/70/39/174037039.db2.gz PYOGGXVFFFIQAZ-ZDUSSCGKSA-N 0 1 264.369 4.016 10 0 CIAEMN FC(F)(F)c1n[nH]c2c1CCCC2=Cc1ccccc1 ZINC000043463769 175052510 /nfs/dbraw/zinc/05/25/10/175052510.db2.gz NHAMTSCKNOEGMR-PKNBQFBNSA-N 0 1 278.277 4.305 10 0 CIAEMN CCc1ccc([C@@H](N)c2ccc(Cl)s2)s1 ZINC000043639768 175084055 /nfs/dbraw/zinc/08/40/55/175084055.db2.gz DHVYEKMJQJVIQB-LLVKDONJSA-N 0 1 257.811 4.074 10 0 CIAEMN Brc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000076500143 177029975 /nfs/dbraw/zinc/02/99/75/177029975.db2.gz WIVGYLSUAQYEPS-UHFFFAOYSA-N 0 1 279.181 4.373 10 0 CIAEMN CCOc1ccc2[nH]c(Nc3ccc(C)cc3)nc2c1 ZINC000026474175 260131028 /nfs/dbraw/zinc/13/10/28/260131028.db2.gz TVNBBVJASKZYSY-UHFFFAOYSA-N 0 1 267.332 4.014 10 0 CIAEMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(C)o1)CCC2 ZINC000092383606 260269822 /nfs/dbraw/zinc/26/98/22/260269822.db2.gz UNUXFOCQFNXBFF-DYVFJYSZSA-N 0 1 285.387 4.325 10 0 CIAEMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C)o1)CCC2 ZINC000092383605 260270282 /nfs/dbraw/zinc/27/02/82/260270282.db2.gz UNUXFOCQFNXBFF-SUMWQHHRSA-N 0 1 285.387 4.325 10 0 CIAEMN Cc1cccnc1CNCc1ccc(OCCC(C)C)cc1 ZINC000103712771 261332735 /nfs/dbraw/zinc/33/27/35/261332735.db2.gz BJXGGEZYPRBAMR-UHFFFAOYSA-N 0 1 298.430 4.105 10 0 CIAEMN COc1ccccc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078404 262227572 /nfs/dbraw/zinc/22/75/72/262227572.db2.gz FPJXMZXBNXICBD-NSHDSACASA-N 0 1 293.769 4.339 10 0 CIAEMN CCc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094952691 265277658 /nfs/dbraw/zinc/27/76/58/265277658.db2.gz JDQPRQQFDCKCQY-LBPRGKRZSA-N 0 1 261.340 4.140 10 0 CIAEMN CCCn1ccc(CN[C@H](C)c2ccccc2Cl)c1 ZINC000091009588 327165095 /nfs/dbraw/zinc/16/50/95/327165095.db2.gz GXPOYNANRYMXQI-CYBMUJFWSA-N 0 1 276.811 4.402 10 0 CIAEMN C[C@@H](N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000041162251 327221437 /nfs/dbraw/zinc/22/14/37/327221437.db2.gz HWJVVFQYBSJQLG-GFCCVEGCSA-N 0 1 280.396 4.497 10 0 CIAEMN C[C@@H](Nc1ccnc2cc(F)ccc21)c1cccc(O)c1 ZINC000174721102 329161330 /nfs/dbraw/zinc/16/13/30/329161330.db2.gz BFORVEQOMADLNU-LLVKDONJSA-N 0 1 282.318 4.253 10 0 CIAEMN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000178273692 329195483 /nfs/dbraw/zinc/19/54/83/329195483.db2.gz WZQIMQOOWZHAMG-CVEARBPZSA-N 0 1 297.398 4.407 10 0 CIAEMN Cc1ccccc1[C@H](C)NCc1nccn1-c1ccccc1 ZINC000190678325 329400623 /nfs/dbraw/zinc/40/06/23/329400623.db2.gz XQDCDUVAXKCGCX-INIZCTEOSA-N 0 1 291.398 4.032 10 0 CIAEMN CCc1ccc([C@H](C)NCc2ccncc2Cl)cc1 ZINC000088781219 333092092 /nfs/dbraw/zinc/09/20/92/333092092.db2.gz HOTNKCHJXJMSTD-LBPRGKRZSA-N 0 1 274.795 4.148 10 0 CIAEMN Cc1cnc([C@H](C)NC[C@@H](c2ccccc2)C(C)C)o1 ZINC000220906978 333170589 /nfs/dbraw/zinc/17/05/89/333170589.db2.gz WZNPYUASJXGHRB-GOEBONIOSA-N 0 1 272.392 4.073 10 0 CIAEMN CC(C)C[C@H](CO)N[C@@H](C)c1cc(Cl)sc1Cl ZINC000222604687 333197770 /nfs/dbraw/zinc/19/77/70/333197770.db2.gz CWKNCHMUOSBPQQ-DTWKUNHWSA-N 0 1 296.263 4.113 10 0 CIAEMN Cc1ccc(F)cc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000226506481 333263507 /nfs/dbraw/zinc/26/35/07/333263507.db2.gz XYAPRICBOFQGFR-LLVKDONJSA-N 0 1 279.305 4.263 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959956 333437435 /nfs/dbraw/zinc/43/74/35/333437435.db2.gz OTOFMYODEHSYPR-KBPBESRZSA-N 0 1 269.388 4.489 10 0 CIAEMN Cc1oncc1CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000129682492 333787547 /nfs/dbraw/zinc/78/75/47/333787547.db2.gz PLLRTWVEFPYDDM-ZDUSSCGKSA-N 0 1 272.392 4.032 10 0 CIAEMN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000251795161 334369843 /nfs/dbraw/zinc/36/98/43/334369843.db2.gz XBFNBWFCBQAFBR-DETPVDSQSA-N 0 1 273.326 4.172 10 0 CIAEMN CCCNc1ccc(Cl)c(CN(CC)[C@H](C)CC)n1 ZINC000061631087 520161940 /nfs/dbraw/zinc/16/19/40/520161940.db2.gz TVDHNSHQZNYNSX-GFCCVEGCSA-N 0 1 283.847 4.177 10 0 CIAEMN CCCNc1ccc(Cl)c(CN(CC)[C@@H](C)CC)n1 ZINC000061631086 520162042 /nfs/dbraw/zinc/16/20/42/520162042.db2.gz TVDHNSHQZNYNSX-LBPRGKRZSA-N 0 1 283.847 4.177 10 0 CIAEMN CCN[C@H](c1cc(C)oc1C)c1cc(C)ccc1F ZINC000052982747 520206661 /nfs/dbraw/zinc/20/66/61/520206661.db2.gz ASKARFYPCYLKDX-MRXNPFEDSA-N 0 1 261.340 4.043 10 0 CIAEMN CCN[C@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062792570 520208076 /nfs/dbraw/zinc/20/80/76/520208076.db2.gz WJXZDVXXMYULLR-OAHLLOKOSA-N 0 1 281.733 4.317 10 0 CIAEMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1 ZINC000035738830 520418208 /nfs/dbraw/zinc/41/82/08/520418208.db2.gz KUCMVXVRQQRSSS-KGLIPLIRSA-N 0 1 273.376 4.480 10 0 CIAEMN CCC[C@H](NC1=NC(C)(C)CS1)c1cccs1 ZINC000049546540 521155256 /nfs/dbraw/zinc/15/52/56/521155256.db2.gz SAQYTOAYZDDXFO-JTQLQIEISA-N 0 1 268.451 4.060 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@@H](C)[C@H](C)CC ZINC000052853948 521542406 /nfs/dbraw/zinc/54/24/06/521542406.db2.gz LEVFJTIDDQOHTE-NEPJUHHUSA-N 0 1 259.397 4.178 10 0 CIAEMN CN[C@@H](c1ccccc1Cl)c1cc(Cl)ccc1OC ZINC000055228280 522371905 /nfs/dbraw/zinc/37/19/05/522371905.db2.gz OEXLSTXIUCOONN-HNNXBMFYSA-N 0 1 296.197 4.311 10 0 CIAEMN C[C@H](N(C)Cc1nc2sccc2c(Cl)n1)C(C)(C)C ZINC000050840432 524813824 /nfs/dbraw/zinc/81/38/24/524813824.db2.gz UNGUTHXZASTAKW-VIFPVBQESA-N 0 1 297.855 4.211 10 0 CIAEMN COc1ccc([C@H](C)N[C@H](C)c2cccs2)c(F)c1 ZINC000037235220 525334792 /nfs/dbraw/zinc/33/47/92/525334792.db2.gz LMOAEHAMKYIOKE-WDEREUQCSA-N 0 1 279.380 4.308 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2N(C)C)o1 ZINC000093941431 525743065 /nfs/dbraw/zinc/74/30/65/525743065.db2.gz QVPOBONODUMQFJ-UONOGXRCSA-N 0 1 272.392 4.066 10 0 CIAEMN CC(C)(C)[C@@H](N)c1cc2c(cccc2Br)o1 ZINC000675081237 566821854 /nfs/dbraw/zinc/82/18/54/566821854.db2.gz NPIPJFCYNDIFOS-LBPRGKRZSA-N 0 1 282.181 4.241 10 0 CIAEMN C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=O)c2ccccc2[nH]c1=S ZINC000003911652 567854500 /nfs/dbraw/zinc/85/45/00/567854500.db2.gz CVVSRXDHFVSJEK-WDMOLILDSA-N 0 1 288.416 4.056 10 0 CIAEMN CC1(C)C[C@H](NCc2ccccc2F)c2ccccc2O1 ZINC000082504863 178069441 /nfs/dbraw/zinc/06/94/41/178069441.db2.gz RGPOFRHDJRRLKT-INIZCTEOSA-N 0 1 285.362 4.218 10 0 CIAEMN CC1CCN([C@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095934907 185033482 /nfs/dbraw/zinc/03/34/82/185033482.db2.gz BRYOADYAOOUNSI-IBGZPJMESA-N 0 1 293.410 4.343 10 0 CIAEMN Cc1cc2nc(-c3ccc(Br)o3)[nH]c2c(C)c1 ZINC000085345272 179028399 /nfs/dbraw/zinc/02/83/99/179028399.db2.gz BCCIZMYCDAKGQP-UHFFFAOYSA-N 0 1 291.148 4.202 10 0 CIAEMN Cc1ccc2[nH]c(C=Cc3nc4ccc(C)cc4[nH]3)nc2c1 ZINC000004877101 170034947 /nfs/dbraw/zinc/03/49/47/170034947.db2.gz QKFAOBRERBLZCI-FPLPWBNLSA-N 0 1 288.354 4.226 10 0 CIAEMN Cc1ccc2nc(C=Cc3nc4ccc(C)cc4[nH]3)[nH]c2c1 ZINC000004877101 170034950 /nfs/dbraw/zinc/03/49/50/170034950.db2.gz QKFAOBRERBLZCI-FPLPWBNLSA-N 0 1 288.354 4.226 10 0 CIAEMN Cc1ccccc1-c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC000006071963 170174316 /nfs/dbraw/zinc/17/43/16/170174316.db2.gz AVLDHPNHSUKPDX-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Cc1ccccc1-c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000006071963 170174318 /nfs/dbraw/zinc/17/43/18/170174318.db2.gz AVLDHPNHSUKPDX-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Clc1ccccc1CNCc1c[nH]c2ccccc12 ZINC000006567885 170214076 /nfs/dbraw/zinc/21/40/76/170214076.db2.gz BGVNWGUABQABFF-UHFFFAOYSA-N 0 1 270.763 4.111 10 0 CIAEMN C[C@H](NCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000020121862 171000881 /nfs/dbraw/zinc/00/08/81/171000881.db2.gz YFPIQGFISDXYQI-JTQLQIEISA-N 0 1 281.733 4.469 10 0 CIAEMN Nc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000020374738 171170529 /nfs/dbraw/zinc/17/05/29/171170529.db2.gz UDHWUOSANLLVSN-UHFFFAOYSA-N 0 1 278.142 4.119 10 0 CIAEMN CC(C)(C)C(=O)C=C(O)c1cccc2ccccc21 ZINC000020375705 171171254 /nfs/dbraw/zinc/17/12/54/171171254.db2.gz YDFAKUYPFPCRPF-UHFFFAOYSA-N 0 1 254.329 4.028 10 0 CIAEMN CCc1ccc2oc([C@@H](N)c3ccccc3)cc2c1 ZINC000020389435 171178496 /nfs/dbraw/zinc/17/84/96/171178496.db2.gz RLXMVZIITRQTQX-KRWDZBQOSA-N 0 1 251.329 4.043 10 0 CIAEMN Cc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1Cl ZINC000021031319 171291839 /nfs/dbraw/zinc/29/18/39/171291839.db2.gz PQORSXMDHYCYDE-UHFFFAOYSA-N 0 1 296.153 4.260 10 0 CIAEMN Clc1ccc(OCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000026440472 171484243 /nfs/dbraw/zinc/48/42/43/171484243.db2.gz AOVFOFHJYXPODM-UHFFFAOYSA-N 0 1 293.153 4.449 10 0 CIAEMN N[C@@H](c1ccc(Cl)s1)c1ccc(F)cc1Cl ZINC000034939186 171898583 /nfs/dbraw/zinc/89/85/83/171898583.db2.gz LPOYRUXTPZQIDV-LLVKDONJSA-N 0 1 276.163 4.242 10 0 CIAEMN Cc1ccc([C@@H](N)c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000035380893 172163815 /nfs/dbraw/zinc/16/38/15/172163815.db2.gz PVOUPBDMYDJBDK-QGZVFWFLSA-N 0 1 257.377 4.178 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000035464313 172212178 /nfs/dbraw/zinc/21/21/78/172212178.db2.gz QTTQPFWKZUNJOR-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccc(C)cc1C)c1c(F)cccc1Cl ZINC000035468299 172217720 /nfs/dbraw/zinc/21/77/20/172217720.db2.gz OZFQKXBIXWIQSP-MRXNPFEDSA-N 0 1 277.770 4.405 10 0 CIAEMN CN[C@@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035497600 172231175 /nfs/dbraw/zinc/23/11/75/172231175.db2.gz PEIQWPALYHLKGR-CQSZACIVSA-N 0 1 283.799 4.466 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035553392 172260135 /nfs/dbraw/zinc/26/01/35/172260135.db2.gz DPNNVHIPIONMSL-ZDUSSCGKSA-N 0 1 269.772 4.240 10 0 CIAEMN CCCN[C@@H](c1ccsc1)c1cc(F)ccc1F ZINC000035580022 172275418 /nfs/dbraw/zinc/27/54/18/172275418.db2.gz RHIRIHACMOZJFU-AWEZNQCLSA-N 0 1 267.344 4.115 10 0 CIAEMN CCCN[C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000035583478 172281616 /nfs/dbraw/zinc/28/16/16/172281616.db2.gz BHJHBJAYVQRTRE-LBPRGKRZSA-N 0 1 255.770 4.084 10 0 CIAEMN Clc1cc(Cl)c2c(c1Cl)[C@H](NC1CC1)CCO2 ZINC000035653134 172329687 /nfs/dbraw/zinc/32/96/87/172329687.db2.gz WNLJJQLCNCSRPE-SECBINFHSA-N 0 1 292.593 4.222 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccco1)c1cccc(Br)c1 ZINC000035739044 172393118 /nfs/dbraw/zinc/39/31/18/172393118.db2.gz KHFVQDLXXRWNLF-MNOVXSKESA-N 0 1 294.192 4.454 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739045 172393275 /nfs/dbraw/zinc/39/32/75/172393275.db2.gz KHFVQDLXXRWNLF-WDEREUQCSA-N 0 1 294.192 4.454 10 0 CIAEMN N[C@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239195 173056060 /nfs/dbraw/zinc/05/60/60/173056060.db2.gz WVMRKBXYADIOEX-GFCCVEGCSA-N 0 1 260.406 4.267 10 0 CIAEMN N[C@H](c1cc(Cl)sc1Cl)c1cc(F)cc(F)c1 ZINC000037379581 173167193 /nfs/dbraw/zinc/16/71/93/173167193.db2.gz VMIXEYCGOBJXKQ-JTQLQIEISA-N 0 1 294.153 4.381 10 0 CIAEMN CN[C@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078524 174088616 /nfs/dbraw/zinc/08/86/16/174088616.db2.gz KBDDNIXLOIYOCY-CQSZACIVSA-N 0 1 266.171 4.302 10 0 CIAEMN Cc1ccc2nc(-c3ccc4nc(C)c(C)nc4c3)[nH]c2c1 ZINC000040166100 174197598 /nfs/dbraw/zinc/19/75/98/174197598.db2.gz MPEIRGDLRHPJIM-UHFFFAOYSA-N 0 1 288.354 4.098 10 0 CIAEMN COC(=O)c1ccccc1Nc1cc(C)nc2ccccc21 ZINC000040400794 174253447 /nfs/dbraw/zinc/25/34/47/174253447.db2.gz DUCYJGYIATYVDO-UHFFFAOYSA-N 0 1 292.338 4.073 10 0 CIAEMN [O-]c1ccc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000043476994 175054761 /nfs/dbraw/zinc/05/47/61/175054761.db2.gz KCLAKQUPHBZXIF-UHFFFAOYSA-N 0 1 265.784 4.026 10 0 CIAEMN [O-]c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000043476648 175054864 /nfs/dbraw/zinc/05/48/64/175054864.db2.gz HHPJRYDYRZQLGH-UHFFFAOYSA-N 0 1 291.822 4.104 10 0 CIAEMN CCOc1ccc([C@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000071406720 176156245 /nfs/dbraw/zinc/15/62/45/176156245.db2.gz MAIOUNKYPIIHAH-SFHVURJKSA-N 0 1 281.355 4.188 10 0 CIAEMN CCOc1ccc([C@@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000071406721 176156282 /nfs/dbraw/zinc/15/62/82/176156282.db2.gz MAIOUNKYPIIHAH-GOSISDBHSA-N 0 1 281.355 4.188 10 0 CIAEMN COc1ccc([C@@H](N)c2cc3cc(C)ccc3o2)cc1C ZINC000077069981 177185195 /nfs/dbraw/zinc/18/51/95/177185195.db2.gz ZLSSMGQWHATBNS-GOSISDBHSA-N 0 1 281.355 4.106 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000071170220 260160308 /nfs/dbraw/zinc/16/03/08/260160308.db2.gz JVVCNYXAZOKDHI-ZDUSSCGKSA-N 0 1 285.387 4.152 10 0 CIAEMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(C)o2)s1 ZINC000158099975 261158411 /nfs/dbraw/zinc/15/84/11/261158411.db2.gz OXUHMXAFSXQMQH-GHMZBOCLSA-N 0 1 278.421 4.327 10 0 CIAEMN Cc1ccccc1[C@H](NCc1cccnc1)c1ccccc1 ZINC000178009389 261374831 /nfs/dbraw/zinc/37/48/31/261374831.db2.gz XCSFQVOJHTTZOU-HXUWFJFHSA-N 0 1 288.394 4.269 10 0 CIAEMN C[C@@H](N[C@H]1CCc2ccccc21)c1cc(F)ccc1F ZINC000020129919 262193332 /nfs/dbraw/zinc/19/33/32/262193332.db2.gz QZBCFDCJQVNJKV-DIFFPNOSSA-N 0 1 273.326 4.303 10 0 CIAEMN CCn1c2ccccc2nc1[C@H](C)NCc1sccc1C ZINC000127053859 264247038 /nfs/dbraw/zinc/24/70/38/264247038.db2.gz IGHOJRZONVNLBX-ZDUSSCGKSA-N 0 1 299.443 4.277 10 0 CIAEMN COc1cccc(CN[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000178591498 327736784 /nfs/dbraw/zinc/73/67/84/327736784.db2.gz WUUPMHUYXGSSOX-AWEZNQCLSA-N 0 1 284.403 4.064 10 0 CIAEMN Cc1nccnc1[C@@H](C)N[C@H]1c2ccccc2CCC1(C)C ZINC000188363560 327750768 /nfs/dbraw/zinc/75/07/68/327750768.db2.gz VLFLVAIGPFUDSU-KDOFPFPSSA-N 0 1 295.430 4.149 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccc(F)c(F)c1 ZINC000179092887 327799277 /nfs/dbraw/zinc/79/92/77/327799277.db2.gz UKYJXXUUTBRFBO-ZJUUUORDSA-N 0 1 296.748 4.425 10 0 CIAEMN CCOc1ccccc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000049577264 328372690 /nfs/dbraw/zinc/37/26/90/328372690.db2.gz FYFOQYLLIJGZKI-GFCCVEGCSA-N 0 1 291.341 4.214 10 0 CIAEMN CCCn1ccc(CN[C@@H](C)c2ccccc2Cl)c1 ZINC000091009587 327165109 /nfs/dbraw/zinc/16/51/09/327165109.db2.gz GXPOYNANRYMXQI-ZDUSSCGKSA-N 0 1 276.811 4.402 10 0 CIAEMN CC[C@@H](c1ccncc1)N(C)Cc1ccc2ccccc2n1 ZINC000092224000 327190423 /nfs/dbraw/zinc/19/04/23/327190423.db2.gz VIBPPFXOIFSLLZ-IBGZPJMESA-N 0 1 291.398 4.213 10 0 CIAEMN C[C@H](N)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000041162250 327221390 /nfs/dbraw/zinc/22/13/90/327221390.db2.gz HWJVVFQYBSJQLG-LBPRGKRZSA-N 0 1 280.396 4.497 10 0 CIAEMN Cc1ccc([C@@H]2CCCC[N@H+]2Cc2sc(C)nc2C)o1 ZINC000172869806 329139424 /nfs/dbraw/zinc/13/94/24/329139424.db2.gz VPMIIZKBKLXLLK-AWEZNQCLSA-N 0 1 290.432 4.389 10 0 CIAEMN Cc1ccc([C@@H]2CCCCN2Cc2sc(C)nc2C)o1 ZINC000172869806 329139426 /nfs/dbraw/zinc/13/94/26/329139426.db2.gz VPMIIZKBKLXLLK-AWEZNQCLSA-N 0 1 290.432 4.389 10 0 CIAEMN c1cc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000178456399 329197182 /nfs/dbraw/zinc/19/71/82/329197182.db2.gz VSZQWDLHBIEQES-INIZCTEOSA-N 0 1 283.371 4.206 10 0 CIAEMN C[C@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484586 329197450 /nfs/dbraw/zinc/19/74/50/329197450.db2.gz VPTVJGPTRUOXOH-SWLSCSKDSA-N 0 1 271.360 4.233 10 0 CIAEMN CC(C)n1cncc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000090207991 330391405 /nfs/dbraw/zinc/39/14/05/330391405.db2.gz WBCCICRLWBQGES-JTQLQIEISA-N 0 1 283.828 4.030 10 0 CIAEMN C[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964339 330397433 /nfs/dbraw/zinc/39/74/33/330397433.db2.gz CDYTYLCJXSJFPD-ABAIWWIYSA-N 0 1 259.324 4.147 10 0 CIAEMN CC[C@@H](CN[C@@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789848 333061318 /nfs/dbraw/zinc/06/13/18/333061318.db2.gz DJRSACFLIBWFLL-IUCAKERBSA-N 0 1 294.197 4.208 10 0 CIAEMN Cc1cnc([C@@H](C)NC[C@@H](c2ccccc2)C(C)C)o1 ZINC000220906923 333170562 /nfs/dbraw/zinc/17/05/62/333170562.db2.gz WZNPYUASJXGHRB-GDBMZVCRSA-N 0 1 272.392 4.073 10 0 CIAEMN CC(C)C[C@@H](CO)N[C@H](C)c1cc(Cl)sc1Cl ZINC000222604751 333197692 /nfs/dbraw/zinc/19/76/92/333197692.db2.gz CWKNCHMUOSBPQQ-BDAKNGLRSA-N 0 1 296.263 4.113 10 0 CIAEMN Cc1cnc([C@H](C)NC2CC(c3ccc(Cl)cc3)C2)o1 ZINC000231529322 333325861 /nfs/dbraw/zinc/32/58/61/333325861.db2.gz GDJBUBNWSVKOOW-ZOODHJKOSA-N 0 1 290.794 4.233 10 0 CIAEMN C[C@H](c1ccccc1F)N1CCC[C@H]1c1ccco1 ZINC000247546960 334285273 /nfs/dbraw/zinc/28/52/73/334285273.db2.gz RSFVRRNPPVJICY-DOMZBBRYSA-N 0 1 259.324 4.317 10 0 CIAEMN C[C@H](NC[C@@H](O)C(C)(C)C)c1cc(Cl)sc1Cl ZINC000164049184 334875573 /nfs/dbraw/zinc/87/55/73/334875573.db2.gz GOQQEGZAWHVGMY-IONNQARKSA-N 0 1 296.263 4.113 10 0 CIAEMN CCN[C@@H](c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000062786359 520114209 /nfs/dbraw/zinc/11/42/09/520114209.db2.gz STXCIJHCDCQWLF-HNNXBMFYSA-N 0 1 281.733 4.317 10 0 CIAEMN CCCCc1nc(Cl)c(CNCc2sccc2C)[nH]1 ZINC000094875043 521300294 /nfs/dbraw/zinc/30/02/94/521300294.db2.gz HDCLWYAKFPCUNX-UHFFFAOYSA-N 0 1 297.855 4.065 10 0 CIAEMN CCc1ccc(C[C@@H](N)c2cc3ccccc3o2)s1 ZINC000062797568 523950916 /nfs/dbraw/zinc/95/09/16/523950916.db2.gz HYJFQQIPRLRDLV-CQSZACIVSA-N 0 1 271.385 4.299 10 0 CIAEMN C[C@@H]1CCCN(Cc2cc(Br)cs2)[C@@H]1C ZINC000050566589 524233138 /nfs/dbraw/zinc/23/31/38/524233138.db2.gz ZEJGQLIHGGJGPH-NXEZZACHSA-N 0 1 288.254 4.131 10 0 CIAEMN C[C@H](NC1=NC[C@@H](c2ccccc2)S1)c1ccsc1 ZINC000061365252 525288758 /nfs/dbraw/zinc/28/87/58/525288758.db2.gz IHZQSPLNQRKZJG-FZMZJTMJSA-N 0 1 288.441 4.243 10 0 CIAEMN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1OC ZINC000036960580 525335048 /nfs/dbraw/zinc/33/50/48/525335048.db2.gz BHFZMTGOKGAKRZ-QWHCGFSZSA-N 0 1 289.375 4.017 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953185 525935594 /nfs/dbraw/zinc/93/55/94/525935594.db2.gz YKXWIJPEJUXVRF-QWRGUYRKSA-N 0 1 265.303 4.278 10 0 CIAEMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2N(C)C)o1 ZINC000093941432 525935852 /nfs/dbraw/zinc/93/58/52/525935852.db2.gz QVPOBONODUMQFJ-KBPBESRZSA-N 0 1 272.392 4.066 10 0 CIAEMN Cc1nc2cc(N)ccc2n1C1CCCCCCC1 ZINC000052852287 527121642 /nfs/dbraw/zinc/12/16/42/527121642.db2.gz FYBPLVFLJJZCOD-UHFFFAOYSA-N 0 1 257.381 4.212 10 0 CIAEMN CC(C)(C)[C@H](N)c1cc2c(cccc2Br)o1 ZINC000675081236 567028034 /nfs/dbraw/zinc/02/80/34/567028034.db2.gz NPIPJFCYNDIFOS-GFCCVEGCSA-N 0 1 282.181 4.241 10 0 CIAEMN CC1CCC(CC[NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000070538412 567888838 /nfs/dbraw/zinc/88/88/38/567888838.db2.gz JGQTYLOJRUTPNT-UHFFFAOYSA-N 0 1 281.827 4.352 10 0 CIAEMN CCN[C@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000040940846 567891049 /nfs/dbraw/zinc/89/10/49/567891049.db2.gz BIGHARZXRMFHIB-CQSZACIVSA-N 0 1 281.186 4.087 10 0 CIAEMN Cc1ccc(C)c(-c2nc3cc(C)cc(C)c3[nH]2)c1 ZINC000073638584 567893711 /nfs/dbraw/zinc/89/37/11/567893711.db2.gz PHEAAWNCSMSKBJ-UHFFFAOYSA-N 0 1 250.345 4.464 10 0 CIAEMN C/C=C(\C)CN(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055200346 570241389 /nfs/dbraw/zinc/24/13/89/570241389.db2.gz OWYYLFHGZJKNOK-CRKCGEKBSA-N 0 1 284.378 4.189 10 0 CIAEMN CC(C)(C)[C@@H](N)c1cc2ccc(Br)cc2o1 ZINC000675081043 570368619 /nfs/dbraw/zinc/36/86/19/570368619.db2.gz DNEOFNZPBCLDOU-LBPRGKRZSA-N 0 1 282.181 4.241 10 0 CIAEMN c1ccc2c(c1)OC1(CCCC1)C[C@H]2NCc1ccncc1 ZINC000082508645 178074717 /nfs/dbraw/zinc/07/47/17/178074717.db2.gz GUFYBTQTLMDGSK-QGZVFWFLSA-N 0 1 294.398 4.008 10 0 CIAEMN c1nc(CNC2CC2)sc1-c1cccc2ccccc21 ZINC000083240870 178366736 /nfs/dbraw/zinc/36/67/36/178366736.db2.gz NXUGIWYHMCAQGQ-UHFFFAOYSA-N 0 1 280.396 4.215 10 0 CIAEMN CC(C)(C)c1nc(C2CCCC2)c(N)n1C(C)(C)C ZINC000103501490 185845498 /nfs/dbraw/zinc/84/54/98/185845498.db2.gz FGINUFXGRTWFJB-UHFFFAOYSA-N 0 1 263.429 4.175 10 0 CIAEMN Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1 ZINC000041043059 256725753 /nfs/dbraw/zinc/72/57/53/256725753.db2.gz JQWANKHTAJRRKD-UHFFFAOYSA-N 0 1 293.189 4.362 10 0 CIAEMN Fc1ccc(CN[C@H]2CCCc3ccccc32)c(F)c1 ZINC000020133422 171021321 /nfs/dbraw/zinc/02/13/21/171021321.db2.gz HALFLCLJWCSINW-KRWDZBQOSA-N 0 1 273.326 4.132 10 0 CIAEMN C[C@@H](N[C@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147868 171035079 /nfs/dbraw/zinc/03/50/79/171035079.db2.gz AYPBLVBURXRCAF-VXGBXAGGSA-N 0 1 261.315 4.377 10 0 CIAEMN COc1ccc([C@@H](C)N[C@H](C)c2cccs2)c(OC)c1 ZINC000020148488 171037043 /nfs/dbraw/zinc/03/70/43/171037043.db2.gz JHXJDWABSAJYON-VXGBXAGGSA-N 0 1 291.416 4.177 10 0 CIAEMN N[C@H](c1ccc(Cl)s1)c1ccccc1C(F)(F)F ZINC000020375146 171170212 /nfs/dbraw/zinc/17/02/12/171170212.db2.gz DYCUFBJZTLRABQ-NSHDSACASA-N 0 1 291.725 4.468 10 0 CIAEMN CCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000021141945 171298011 /nfs/dbraw/zinc/29/80/11/171298011.db2.gz MDXRQWAMFLRWHB-UHFFFAOYSA-N 0 1 293.370 4.277 10 0 CIAEMN CCCC[C@@H](N)c1nc2cc(Cl)ccc2s1 ZINC000035411277 172182682 /nfs/dbraw/zinc/18/26/82/172182682.db2.gz FTGMEPTWPHTAHO-SECBINFHSA-N 0 1 254.786 4.140 10 0 CIAEMN CCCC[C@H](N)c1nc2cc(Br)ccc2s1 ZINC000035411300 172182812 /nfs/dbraw/zinc/18/28/12/172182812.db2.gz DCJGRGQIQNTYCN-VIFPVBQESA-N 0 1 299.237 4.249 10 0 CIAEMN CCCC[C@H](N)c1nc2cc(Cl)ccc2s1 ZINC000035411276 172183091 /nfs/dbraw/zinc/18/30/91/172183091.db2.gz FTGMEPTWPHTAHO-VIFPVBQESA-N 0 1 254.786 4.140 10 0 CIAEMN CC(C)(C)[C@H](N)c1nc2cc(Br)ccc2s1 ZINC000035411298 172183144 /nfs/dbraw/zinc/18/31/44/172183144.db2.gz BJHQBADETYXPBW-SNVBAGLBSA-N 0 1 299.237 4.105 10 0 CIAEMN CCc1ccc([C@@H](NC)c2ccc(F)cc2Cl)s1 ZINC000035460936 172209863 /nfs/dbraw/zinc/20/98/63/172209863.db2.gz REDNGEXCDXDJSX-AWEZNQCLSA-N 0 1 283.799 4.412 10 0 CIAEMN CN[C@@H](c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000035494470 172227886 /nfs/dbraw/zinc/22/78/86/172227886.db2.gz SDBYRQSCRWUDTC-AWEZNQCLSA-N 0 1 285.696 4.066 10 0 CIAEMN CCN[C@@H](c1ccccc1)c1cc(Cl)ccc1F ZINC000035540523 172246821 /nfs/dbraw/zinc/24/68/21/172246821.db2.gz GPSGZSZOTDYUPE-HNNXBMFYSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035543766 172251422 /nfs/dbraw/zinc/25/14/22/172251422.db2.gz SZYNRTNDIGQAHS-OAHLLOKOSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035545528 172253459 /nfs/dbraw/zinc/25/34/59/172253459.db2.gz FOUHZXFCWYRGKJ-ZDUSSCGKSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035558817 172264339 /nfs/dbraw/zinc/26/43/39/172264339.db2.gz RAZGCJWYCXUFFV-AWEZNQCLSA-N 0 1 281.186 4.087 10 0 CIAEMN CCCN[C@@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035580945 172276680 /nfs/dbraw/zinc/27/66/80/172276680.db2.gz SBTPCOCIHOSSTI-JTQLQIEISA-N 0 1 285.231 4.097 10 0 CIAEMN CCN[C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653148 172329578 /nfs/dbraw/zinc/32/95/78/172329578.db2.gz FVFHGPOSSVDHIP-QMMMGPOBSA-N 0 1 280.582 4.080 10 0 CIAEMN CCCN[C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653162 172329714 /nfs/dbraw/zinc/32/97/14/172329714.db2.gz VFHOZZWDOVOFLP-MRVPVSSYSA-N 0 1 280.582 4.080 10 0 CIAEMN CC(C)N[C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653158 172329761 /nfs/dbraw/zinc/32/97/61/172329761.db2.gz KWHDRXARRJYIHY-MRVPVSSYSA-N 0 1 280.582 4.078 10 0 CIAEMN COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ccco1 ZINC000035738749 172392789 /nfs/dbraw/zinc/39/27/89/172392789.db2.gz CGQFKNNTUZSGBG-MLGOLLRUSA-N 0 1 271.360 4.016 10 0 CIAEMN COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ccco1 ZINC000035738748 172392882 /nfs/dbraw/zinc/39/28/82/172392882.db2.gz CGQFKNNTUZSGBG-BLLLJJGKSA-N 0 1 271.360 4.016 10 0 CIAEMN N[C@H](Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000037239400 173056005 /nfs/dbraw/zinc/05/60/05/173056005.db2.gz CBLRHUGGJUXBTI-GFCCVEGCSA-N 0 1 288.803 4.192 10 0 CIAEMN C[C@@H](c1cccc(Cl)c1)N1CCc2c(N)cccc2C1 ZINC000038032660 174028724 /nfs/dbraw/zinc/02/87/24/174028724.db2.gz YZOVZGKNMRJPLN-LBPRGKRZSA-N 0 1 286.806 4.042 10 0 CIAEMN Cc1ccc2sc([C@H](N)C3CCCCC3)nc2c1 ZINC000038036882 174036475 /nfs/dbraw/zinc/03/64/75/174036475.db2.gz QULBLDGLWIVRQS-CQSZACIVSA-N 0 1 260.406 4.185 10 0 CIAEMN CCN[C@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078614 174088711 /nfs/dbraw/zinc/08/87/11/174088711.db2.gz HJTZBVCYYNUNCV-MRXNPFEDSA-N 0 1 277.770 4.486 10 0 CIAEMN CC(C)C[C@H](C)N(C)Cc1sccc1Br ZINC000043511671 175060178 /nfs/dbraw/zinc/06/01/78/175060178.db2.gz LQXAOXFGSPVJQE-JTQLQIEISA-N 0 1 290.270 4.377 10 0 CIAEMN CCCN(Cc1sccc1Br)C(C)C ZINC000043677670 175089017 /nfs/dbraw/zinc/08/90/17/175089017.db2.gz LMFXCFVQTLVQAD-UHFFFAOYSA-N 0 1 276.243 4.131 10 0 CIAEMN C[C@@H]1CCC[C@H](C)N1Cc1cc(Br)cs1 ZINC000043686978 175094362 /nfs/dbraw/zinc/09/43/62/175094362.db2.gz IASQYMXEVOGLQL-AOOOYVTPSA-N 0 1 288.254 4.274 10 0 CIAEMN CCc1ccc([C@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000071406723 176156436 /nfs/dbraw/zinc/15/64/36/176156436.db2.gz IJVCVLZWFDFAOD-SFHVURJKSA-N 0 1 265.356 4.352 10 0 CIAEMN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000176154543 335246663 /nfs/dbraw/zinc/24/66/63/335246663.db2.gz NXPFCGAFEVXAGG-JQWIXIFHSA-N 0 1 275.289 4.161 10 0 CIAEMN CCc1nc2c(s1)[C@H](N[C@@H](C)c1ccc(C)o1)CCC2 ZINC000158141769 261159068 /nfs/dbraw/zinc/15/90/68/261159068.db2.gz UVKBRTLBEXGTCW-NWDGAFQWSA-N 0 1 290.432 4.335 10 0 CIAEMN CCc1nc2c(s1)[C@@H](N[C@H](C)c1ccc(C)o1)CCC2 ZINC000158142216 261159300 /nfs/dbraw/zinc/15/93/00/261159300.db2.gz UVKBRTLBEXGTCW-NEPJUHHUSA-N 0 1 290.432 4.335 10 0 CIAEMN CCCCCOc1ccc(CNCc2ncccc2C)cc1 ZINC000103712748 261332803 /nfs/dbraw/zinc/33/28/03/261332803.db2.gz KQIMNAAEDQOWTP-UHFFFAOYSA-N 0 1 298.430 4.249 10 0 CIAEMN FC(F)c1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000183968291 262002827 /nfs/dbraw/zinc/00/28/27/262002827.db2.gz BHQGJCPYWVUDOL-HNNXBMFYSA-N 0 1 291.345 4.075 10 0 CIAEMN FC(F)c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000183968291 262002828 /nfs/dbraw/zinc/00/28/28/262002828.db2.gz BHQGJCPYWVUDOL-HNNXBMFYSA-N 0 1 291.345 4.075 10 0 CIAEMN Cc1nccnc1[C@H](C)N[C@H]1c2ccccc2CCC1(C)C ZINC000188363586 327750895 /nfs/dbraw/zinc/75/08/95/327750895.db2.gz VLFLVAIGPFUDSU-KSSFIOAISA-N 0 1 295.430 4.149 10 0 CIAEMN C[C@H](N)c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000041162282 327221357 /nfs/dbraw/zinc/22/13/57/327221357.db2.gz AQBPPZIIKYFQLM-NSHDSACASA-N 0 1 292.407 4.401 10 0 CIAEMN CCOc1ccccc1[C@H](C)NCc1csc(C)c1 ZINC000381267499 327245661 /nfs/dbraw/zinc/24/56/61/327245661.db2.gz GTXBLBTVJOXGHV-ZDUSSCGKSA-N 0 1 275.417 4.306 10 0 CIAEMN Cc1ccc(CN[C@H](C)c2ccc(F)c(Cl)c2)c(C)n1 ZINC000187420815 329357764 /nfs/dbraw/zinc/35/77/64/329357764.db2.gz LZEOINWCWGBGFS-LLVKDONJSA-N 0 1 292.785 4.342 10 0 CIAEMN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1c(F)cccc1F ZINC000044674012 330331634 /nfs/dbraw/zinc/33/16/34/330331634.db2.gz XBFNBWFCBQAFBR-NORZTCDRSA-N 0 1 273.326 4.172 10 0 CIAEMN Cc1ccc(F)c(CN[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000116911969 330361253 /nfs/dbraw/zinc/36/12/53/330361253.db2.gz OODUMHQEDJOXLR-LLVKDONJSA-N 0 1 279.305 4.263 10 0 CIAEMN CCSc1cccc(CN[C@H]2CCOc3ccccc32)c1 ZINC000185449789 333141146 /nfs/dbraw/zinc/14/11/46/333141146.db2.gz IQLNKCSTAUNHFC-KRWDZBQOSA-N 0 1 299.439 4.412 10 0 CIAEMN CCSc1cccc(CN[C@@H]2COc3ccccc32)c1 ZINC000185518688 333142553 /nfs/dbraw/zinc/14/25/53/333142553.db2.gz ALUSYWTWNVXCIT-MRXNPFEDSA-N 0 1 285.412 4.022 10 0 CIAEMN C[C@@H](N[C@@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000222225597 333177301 /nfs/dbraw/zinc/17/73/01/333177301.db2.gz TZMCBPDJNCNIAV-HTQZYQBOSA-N 0 1 294.222 4.289 10 0 CIAEMN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nccs1 ZINC000223280117 333206272 /nfs/dbraw/zinc/20/62/72/333206272.db2.gz AYEZKJRTJQGTNG-LALPHHSUSA-N 0 1 272.417 4.432 10 0 CIAEMN Nc1cc(Cl)cc2nc(-c3cc4ccccc4o3)[nH]c21 ZINC000129008739 333247373 /nfs/dbraw/zinc/24/73/73/333247373.db2.gz XLCUDPNYOZZESJ-UHFFFAOYSA-N 0 1 283.718 4.212 10 0 CIAEMN Cc1ccc(F)c(CN[C@H](C)c2ccccc2C)c1 ZINC000227281040 333279390 /nfs/dbraw/zinc/27/93/90/333279390.db2.gz GCDYBSXGNCIOEU-CQSZACIVSA-N 0 1 257.352 4.293 10 0 CIAEMN CCC[C@@H]1C[C@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000231672974 333327484 /nfs/dbraw/zinc/32/74/84/333327484.db2.gz WJNBXGPLDSDWGI-IUODEOHRSA-N 0 1 290.407 4.227 10 0 CIAEMN Cc1cnc([C@@H](C)NC2CCC3(CCCC3)CC2)o1 ZINC000231738296 333328909 /nfs/dbraw/zinc/32/89/09/333328909.db2.gz FNQOVJOTHNIGNN-CYBMUJFWSA-N 0 1 262.397 4.137 10 0 CIAEMN C[C@@H](NCCCF)c1c(Cl)ccc(F)c1Cl ZINC000126958470 333614119 /nfs/dbraw/zinc/61/41/19/333614119.db2.gz DOLXLIRACLWOQO-SSDOTTSWSA-N 0 1 268.134 4.143 10 0 CIAEMN CC(C)Cc1ccc([C@@H](C)NCc2ccccn2)cc1 ZINC000019957627 519444871 /nfs/dbraw/zinc/44/48/71/519444871.db2.gz TUYDDNXNWUOLBW-OAHLLOKOSA-N 0 1 268.404 4.131 10 0 CIAEMN CCCC[C@@H](C)n1c2ccc(N)cc2nc1CCC ZINC000052853306 521013282 /nfs/dbraw/zinc/01/32/82/521013282.db2.gz UBHYSWSUSIOAGI-GFCCVEGCSA-N 0 1 259.397 4.322 10 0 CIAEMN CCCC[C@@H](C)n1c(N)nc2cccc(Cl)c21 ZINC000050889835 521013768 /nfs/dbraw/zinc/01/37/68/521013768.db2.gz FRVBODOOWJVYPL-SECBINFHSA-N 0 1 251.761 4.023 10 0 CIAEMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1OC ZINC000036960587 525160862 /nfs/dbraw/zinc/16/08/62/525160862.db2.gz BHFZMTGOKGAKRZ-OLZOCXBDSA-N 0 1 289.375 4.017 10 0 CIAEMN COc1ccc([C@@H](C)N[C@H](C)c2cccs2)c(F)c1 ZINC000037235223 525162870 /nfs/dbraw/zinc/16/28/70/525162870.db2.gz LMOAEHAMKYIOKE-GHMZBOCLSA-N 0 1 279.380 4.308 10 0 CIAEMN Cc1nccc(N[C@H](C)c2cccs2)c1Cl ZINC000309318478 527352566 /nfs/dbraw/zinc/35/25/66/527352566.db2.gz GMZQDWPDYCYVPZ-MRVPVSSYSA-N 0 1 252.770 4.278 10 0 CIAEMN Cc1ccc2nc(S[C@@H](C)c3ccccn3)[nH]c2c1 ZINC000039372858 567088689 /nfs/dbraw/zinc/08/86/89/567088689.db2.gz UWUJHAHZXVCQFT-NSHDSACASA-N 0 1 269.373 4.120 10 0 CIAEMN c1ccc2c(c1)OC1(CCCC1)C[C@H]2NCc1cccnc1 ZINC000082508649 178074542 /nfs/dbraw/zinc/07/45/42/178074542.db2.gz RBFVNUTXJUMRQS-QGZVFWFLSA-N 0 1 294.398 4.008 10 0 CIAEMN c1ccc2c(c1)OC1(CCCC1)C[C@@H]2NCc1cccnc1 ZINC000082508650 178074342 /nfs/dbraw/zinc/07/43/42/178074342.db2.gz RBFVNUTXJUMRQS-KRWDZBQOSA-N 0 1 294.398 4.008 10 0 CIAEMN CC1(C)C[C@@H](NCc2ccc(F)cc2)c2ccccc2O1 ZINC000082504918 178068866 /nfs/dbraw/zinc/06/88/66/178068866.db2.gz KDOLPACXPJBQFC-MRXNPFEDSA-N 0 1 285.362 4.218 10 0 CIAEMN CC(C)(C)c1nc(-c2cccnc2)c(-c2ccc(O)cc2)[nH]1 ZINC000005114327 170067125 /nfs/dbraw/zinc/06/71/25/170067125.db2.gz MZGWIQCWWSGSRK-UHFFFAOYSA-N 0 1 293.370 4.142 10 0 CIAEMN CC(C)c1ccccc1-c1c(O)c2ccccc2oc1=O ZINC000005447560 170100092 /nfs/dbraw/zinc/10/00/92/170100092.db2.gz GANAAJLJKAIISX-UHFFFAOYSA-N 0 1 280.323 4.289 10 0 CIAEMN CC(C)c1nc2ccc(-c3nc4ccccc4[nH]3)cc2[nH]1 ZINC000005498447 170104652 /nfs/dbraw/zinc/10/46/52/170104652.db2.gz PPAJDZQOSSTRFF-UHFFFAOYSA-N 0 1 276.343 4.230 10 0 CIAEMN Cc1ccccc1-c1n[nH]c(-c2ccccc2Cl)n1 ZINC000006071966 170173965 /nfs/dbraw/zinc/17/39/65/170173965.db2.gz ZUGIPYUZFXHHTC-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124025 171005582 /nfs/dbraw/zinc/00/55/82/171005582.db2.gz HCDLSQCKSYUEQG-RYUDHWBXSA-N 0 1 275.779 4.457 10 0 CIAEMN c1ccc2sc(CN[C@@H]3CCCc4ccccc43)nc2c1 ZINC000020136354 171023554 /nfs/dbraw/zinc/02/35/54/171023554.db2.gz PSYHRUSEHLZGAF-OAHLLOKOSA-N 0 1 294.423 4.464 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1ccccc1F ZINC000020147869 171035439 /nfs/dbraw/zinc/03/54/39/171035439.db2.gz AYPBLVBURXRCAF-NWDGAFQWSA-N 0 1 261.315 4.377 10 0 CIAEMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148442 171036213 /nfs/dbraw/zinc/03/62/13/171036213.db2.gz VFWLRFLPXVDHKJ-VHSXEESVSA-N 0 1 267.344 4.438 10 0 CIAEMN C[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148456 171036679 /nfs/dbraw/zinc/03/66/79/171036679.db2.gz ODXPIGJQTISUTN-VXGBXAGGSA-N 0 1 285.416 4.047 10 0 CIAEMN CC(C)c1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000020303880 171140582 /nfs/dbraw/zinc/14/05/82/171140582.db2.gz NOOPTKAUXJQIFU-UHFFFAOYSA-N 0 1 287.310 4.072 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3ccccc3o2)cc1C ZINC000020369094 171166785 /nfs/dbraw/zinc/16/67/85/171166785.db2.gz PXUVRHHMPAQOJQ-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN CCc1ccc2oc([C@@H](N)c3ccc(C)cc3)cc2c1 ZINC000020389447 171177949 /nfs/dbraw/zinc/17/79/49/171177949.db2.gz HAQMMOFEYAOVGH-SFHVURJKSA-N 0 1 265.356 4.352 10 0 CIAEMN CCc1ccc2oc([C@H](N)c3ccccc3)cc2c1 ZINC000020389441 171178456 /nfs/dbraw/zinc/17/84/56/171178456.db2.gz RLXMVZIITRQTQX-QGZVFWFLSA-N 0 1 251.329 4.043 10 0 CIAEMN Cc1c2ccccc2oc1[C@@H](N)c1ccc(C)cc1C ZINC000020592891 171262417 /nfs/dbraw/zinc/26/24/17/171262417.db2.gz OPUYNQRUDMIVMN-KRWDZBQOSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1c2ccccc2oc1[C@H](N)c1ccc(C)cc1C ZINC000020592890 171262758 /nfs/dbraw/zinc/26/27/58/171262758.db2.gz OPUYNQRUDMIVMN-QGZVFWFLSA-N 0 1 265.356 4.406 10 0 CIAEMN Cc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1Cl ZINC000021812303 171329732 /nfs/dbraw/zinc/32/97/32/171329732.db2.gz QJFUSDWAFKEJAY-UHFFFAOYSA-N 0 1 296.153 4.260 10 0 CIAEMN Cc1cc([C@@H](N)c2c(F)cccc2Cl)c(C)s1 ZINC000034940819 171900444 /nfs/dbraw/zinc/90/04/44/171900444.db2.gz ZDUFSYBCIPLSLH-CYBMUJFWSA-N 0 1 269.772 4.206 10 0 CIAEMN C[C@@H](Cc1ccco1)NCc1c(Cl)cccc1Cl ZINC000035254323 172084113 /nfs/dbraw/zinc/08/41/13/172084113.db2.gz POPHVVAPUPZIJQ-JTQLQIEISA-N 0 1 284.186 4.307 10 0 CIAEMN CCCc1ccc([C@H](N)c2ccc(Br)o2)cc1 ZINC000035380592 172163245 /nfs/dbraw/zinc/16/32/45/172163245.db2.gz DZSOZMZUHHMXPM-AWEZNQCLSA-N 0 1 294.192 4.043 10 0 CIAEMN CN[C@H](c1ccc(C)c(C)c1)c1cc(Cl)ccc1F ZINC000035457310 172207259 /nfs/dbraw/zinc/20/72/59/172207259.db2.gz BEZNTCKBZKJDRH-MRXNPFEDSA-N 0 1 277.770 4.405 10 0 CIAEMN CN[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035464910 172212250 /nfs/dbraw/zinc/21/22/50/172212250.db2.gz BUNRMTBDCTVRIZ-AWEZNQCLSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035464912 172212279 /nfs/dbraw/zinc/21/22/79/172212279.db2.gz BUNRMTBDCTVRIZ-CQSZACIVSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035488293 172223316 /nfs/dbraw/zinc/22/33/16/172223316.db2.gz ZOQFPWVJDPKELA-GFCCVEGCSA-N 0 1 272.200 4.364 10 0 CIAEMN CCc1ccc([C@H](NC)c2c(F)cccc2Cl)cc1 ZINC000035495403 172228792 /nfs/dbraw/zinc/22/87/92/172228792.db2.gz IAJWQWUBBFQKJF-INIZCTEOSA-N 0 1 277.770 4.350 10 0 CIAEMN CN[C@@H](c1cc(C)sc1C)c1ccc(F)cc1Cl ZINC000035497681 172231475 /nfs/dbraw/zinc/23/14/75/172231475.db2.gz WBIYESURVKSDFT-CQSZACIVSA-N 0 1 283.799 4.466 10 0 CIAEMN CN[C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035502002 172236544 /nfs/dbraw/zinc/23/65/44/172236544.db2.gz RLXALYOKPABCLK-SECBINFHSA-N 0 1 272.097 4.206 10 0 CIAEMN CN[C@@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035502091 172236629 /nfs/dbraw/zinc/23/66/29/172236629.db2.gz UQAZZDFBQKCKLU-LLVKDONJSA-N 0 1 272.200 4.364 10 0 CIAEMN CN[C@H](c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000035501960 172236689 /nfs/dbraw/zinc/23/66/89/172236689.db2.gz RDKJZDFEPZZRCY-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CCN[C@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035538760 172244934 /nfs/dbraw/zinc/24/49/34/172244934.db2.gz YUXLASFDRMOKMN-AWEZNQCLSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035552800 172259862 /nfs/dbraw/zinc/25/98/62/172259862.db2.gz MGAQIIMWAVGWRU-GFCCVEGCSA-N 0 1 255.770 4.002 10 0 CIAEMN CCN[C@@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035553451 172259983 /nfs/dbraw/zinc/25/99/83/172259983.db2.gz MMCZAQWRCLAPMQ-CQSZACIVSA-N 0 1 281.808 4.109 10 0 CIAEMN Cc1c2cc(C)ccc2oc1[C@@H](N)c1ccccc1 ZINC000035630551 172312372 /nfs/dbraw/zinc/31/23/72/172312372.db2.gz ROVPDCIEMRTYCA-INIZCTEOSA-N 0 1 251.329 4.098 10 0 CIAEMN CC(C)[C@H](Nc1ccc2c[nH]nc2c1)c1cccs1 ZINC000037317201 173117269 /nfs/dbraw/zinc/11/72/69/173117269.db2.gz BELHBBLUHOVOSF-HNNXBMFYSA-N 0 1 271.389 4.434 10 0 CIAEMN CN[C@@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078523 174088693 /nfs/dbraw/zinc/08/86/93/174088693.db2.gz KBDDNIXLOIYOCY-AWEZNQCLSA-N 0 1 266.171 4.302 10 0 CIAEMN CCOc1cccc([C@@H](NC)c2ccccc2Cl)c1 ZINC000038078470 174088730 /nfs/dbraw/zinc/08/87/30/174088730.db2.gz LDWWSGILIDGDTL-MRXNPFEDSA-N 0 1 275.779 4.048 10 0 CIAEMN CC(C)(C)CC(C)(C)[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000043479403 175055182 /nfs/dbraw/zinc/05/51/82/175055182.db2.gz UZWKKKMOGGYRGS-UHFFFAOYSA-N 0 1 269.816 4.350 10 0 CIAEMN Cc1ccc2oc([C@@H](N)c3ccc(C)cc3C)cc2c1 ZINC000071406727 176156350 /nfs/dbraw/zinc/15/63/50/176156350.db2.gz PIALKKOJIUUETG-SFHVURJKSA-N 0 1 265.356 4.406 10 0 CIAEMN CCOC(=O)c1c[nH]c2cc(Cl)c(C)cc2c1=S ZINC000072237456 176346149 /nfs/dbraw/zinc/34/61/49/176346149.db2.gz HUAQVCDUVRQWBM-UHFFFAOYSA-N 0 1 281.764 4.036 10 0 CIAEMN C[C@H](c1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000176154556 335246752 /nfs/dbraw/zinc/24/67/52/335246752.db2.gz NXPFCGAFEVXAGG-PWSUYJOCSA-N 0 1 275.289 4.161 10 0 CIAEMN c1cc(CNC2c3ccccc3CCc3ccccc32)co1 ZINC000180200291 260095776 /nfs/dbraw/zinc/09/57/76/260095776.db2.gz QQDNPSUAGKEJNQ-UHFFFAOYSA-N 0 1 289.378 4.257 10 0 CIAEMN C[C@@H](COCc1ccccc1)NCc1ccsc1Cl ZINC000312601393 260174212 /nfs/dbraw/zinc/17/42/12/260174212.db2.gz MHHGRBHKDSMNCU-LBPRGKRZSA-N 0 1 295.835 4.096 10 0 CIAEMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)o1)CCC2 ZINC000092383607 260269807 /nfs/dbraw/zinc/26/98/07/260269807.db2.gz UNUXFOCQFNXBFF-GUYCJALGSA-N 0 1 285.387 4.325 10 0 CIAEMN CCc1nc2c(s1)[C@@H](N[C@@H](C)c1ccc(C)o1)CCC2 ZINC000158141926 261159469 /nfs/dbraw/zinc/15/94/69/261159469.db2.gz UVKBRTLBEXGTCW-RYUDHWBXSA-N 0 1 290.432 4.335 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168986 261160070 /nfs/dbraw/zinc/16/00/70/261160070.db2.gz MLEJYKHVOPBDPE-CHWSQXEVSA-N 0 1 290.382 4.205 10 0 CIAEMN CCC[C@H](N[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875925 262031486 /nfs/dbraw/zinc/03/14/86/262031486.db2.gz XOFBDDYCNHRSNG-DLBZAZTESA-N 0 1 282.387 4.036 10 0 CIAEMN CCn1nc(C)c([C@H](C)NCc2ccc(Cl)s2)c1C ZINC000071307255 326919404 /nfs/dbraw/zinc/91/94/04/326919404.db2.gz VGIOLEFUFWDQCK-VIFPVBQESA-N 0 1 297.855 4.086 10 0 CIAEMN CC(C)C[C@H](CO)N[C@H](C)c1cc(Cl)sc1Cl ZINC000222604819 327011986 /nfs/dbraw/zinc/01/19/86/327011986.db2.gz CWKNCHMUOSBPQQ-RKDXNWHRSA-N 0 1 296.263 4.113 10 0 CIAEMN C[C@H](NCc1ccsc1Cl)c1cccs1 ZINC000380291611 327319709 /nfs/dbraw/zinc/31/97/09/327319709.db2.gz BQLWRTNMPJPLMO-QMMMGPOBSA-N 0 1 257.811 4.314 10 0 CIAEMN COc1ccccc1[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC000043388425 328789274 /nfs/dbraw/zinc/78/92/74/328789274.db2.gz KYPWOLXCGAMYNQ-NSHDSACASA-N 0 1 293.769 4.339 10 0 CIAEMN C[C@@H](N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484596 329197368 /nfs/dbraw/zinc/19/73/68/329197368.db2.gz VPTVJGPTRUOXOH-IUODEOHRSA-N 0 1 271.360 4.233 10 0 CIAEMN CCC[C@H](N[C@H]1CCOc2ccccc21)c1ccccn1 ZINC000178662949 329201766 /nfs/dbraw/zinc/20/17/66/329201766.db2.gz FVSWHMOCXCFTRJ-RDJZCZTQSA-N 0 1 282.387 4.036 10 0 CIAEMN CC(C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789823 330251221 /nfs/dbraw/zinc/25/12/21/330251221.db2.gz MRWLWXFKUUCRAR-SSDOTTSWSA-N 0 1 250.144 4.192 10 0 CIAEMN Cc1cccnc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000071338926 330372168 /nfs/dbraw/zinc/37/21/68/330372168.db2.gz LSDBLCLWSPEBKF-OAHLLOKOSA-N 0 1 268.404 4.364 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3cc(F)ccc32)o1 ZINC000090964074 330397427 /nfs/dbraw/zinc/39/74/27/330397427.db2.gz JXDWNZJXCXNZNG-MLGOLLRUSA-N 0 1 273.351 4.455 10 0 CIAEMN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000152878109 330637561 /nfs/dbraw/zinc/63/75/61/330637561.db2.gz BUCKZNWCAVLLNP-NRPADANISA-N 0 1 294.247 4.273 10 0 CIAEMN C=Cn1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000194343125 330841733 /nfs/dbraw/zinc/84/17/33/330841733.db2.gz NNCFUDBFSWMJBY-JTQLQIEISA-N 0 1 296.201 4.141 10 0 CIAEMN c1csc([C@@H]2CCCCN2CCCc2ccccc2)n1 ZINC000195361998 333251328 /nfs/dbraw/zinc/25/13/28/333251328.db2.gz LPNUMAJPCYZXHD-INIZCTEOSA-N 0 1 286.444 4.303 10 0 CIAEMN Cc1cnc([C@H](C)NC2CCC(C(C)(C)C)CC2)o1 ZINC000227555763 333285566 /nfs/dbraw/zinc/28/55/66/333285566.db2.gz SHYIXBJLZZZUHN-HSBZDZAISA-N 0 1 264.413 4.239 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3ccc(O)cc32)o1 ZINC000235206946 333366646 /nfs/dbraw/zinc/36/66/46/333366646.db2.gz YFSBZIXUFHCZDZ-MLGOLLRUSA-N 0 1 271.360 4.022 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2C)o1 ZINC000128743953 333704814 /nfs/dbraw/zinc/70/48/14/333704814.db2.gz IGDJVYLQMDEFMR-GFCCVEGCSA-N 0 1 263.768 4.401 10 0 CIAEMN Cc1ccccc1[C@H](C)NCc1cc(F)c(F)cc1F ZINC000135809859 334139043 /nfs/dbraw/zinc/13/90/43/334139043.db2.gz JUVFASCDAFASAJ-NSHDSACASA-N 0 1 279.305 4.263 10 0 CIAEMN C[C@@H](NCc1cccc2c1OC(C)(C)C2)c1cccs1 ZINC000080507269 334172213 /nfs/dbraw/zinc/17/22/13/334172213.db2.gz OVBRHEWWDNGLQW-GFCCVEGCSA-N 0 1 287.428 4.312 10 0 CIAEMN C[C@@H](c1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000246927482 334272152 /nfs/dbraw/zinc/27/21/52/334272152.db2.gz IGZJLQTWFZOMCQ-WFASDCNBSA-N 0 1 259.324 4.317 10 0 CIAEMN Cc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1F ZINC000384526425 336125205 /nfs/dbraw/zinc/12/52/05/336125205.db2.gz YMISVEGKETVMKY-LLVKDONJSA-N 0 1 279.305 4.263 10 0 CIAEMN Cc1ccc(-c2csc([C@H](N)C(C)(C)C)n2)c(C)c1 ZINC000041181703 518188098 /nfs/dbraw/zinc/18/80/98/518188098.db2.gz YMLOTIYDXMWOGZ-AWEZNQCLSA-N 0 1 274.433 4.473 10 0 CIAEMN CCCC[C@H](C)n1c2ccc(N)cc2nc1CCC ZINC000052853308 521155047 /nfs/dbraw/zinc/15/50/47/521155047.db2.gz UBHYSWSUSIOAGI-LBPRGKRZSA-N 0 1 259.397 4.322 10 0 CIAEMN CCc1nc2cc(N)ccc2n1C1CCCCCC1 ZINC000052852441 522485882 /nfs/dbraw/zinc/48/58/82/522485882.db2.gz KSMDRBBRXUFQJD-UHFFFAOYSA-N 0 1 257.381 4.076 10 0 CIAEMN CN[C@H](c1cccc(C)c1)c1ccc(Cl)cc1F ZINC000062786143 522485954 /nfs/dbraw/zinc/48/59/54/522485954.db2.gz FZXYBKBBRCCGRU-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN CC[C@H](NC1=N[C@@H](CC(C)C)CS1)c1cccs1 ZINC000049531681 522558887 /nfs/dbraw/zinc/55/88/87/522558887.db2.gz QUORVOIPUIZXJK-RYUDHWBXSA-N 0 1 282.478 4.306 10 0 CIAEMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cccc(O)c1 ZINC000036961240 523857967 /nfs/dbraw/zinc/85/79/67/523857967.db2.gz CJTZMKOLMKTJLI-KGLIPLIRSA-N 0 1 285.387 4.121 10 0 CIAEMN Cc1cc(C)cc([C@H](N)c2cc3ccccc3o2)c1 ZINC000062797509 524472480 /nfs/dbraw/zinc/47/24/80/524472480.db2.gz BUTMLGXULWQOIG-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN C[C@@H](N(C)Cc1nc2sccc2c(Cl)n1)C(C)(C)C ZINC000050840434 524982341 /nfs/dbraw/zinc/98/23/41/524982341.db2.gz UNGUTHXZASTAKW-SECBINFHSA-N 0 1 297.855 4.211 10 0 CIAEMN C[C@H](NC1=NC[C@H](c2ccccc2)S1)c1ccsc1 ZINC000061365250 525288735 /nfs/dbraw/zinc/28/87/35/525288735.db2.gz IHZQSPLNQRKZJG-SMDDNHRTSA-N 0 1 288.441 4.243 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000120367536 525416403 /nfs/dbraw/zinc/41/64/03/525416403.db2.gz IAKMNEBOTWIEEU-GJZGRUSLSA-N 0 1 293.414 4.294 10 0 CIAEMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(Br)cs1 ZINC000050566590 525639896 /nfs/dbraw/zinc/63/98/96/525639896.db2.gz ZEJGQLIHGGJGPH-VHSXEESVSA-N 0 1 288.254 4.131 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc(Cl)c(F)c2)o1 ZINC000043389252 525927792 /nfs/dbraw/zinc/92/77/92/525927792.db2.gz XRTYPBWIODPVIS-JTQLQIEISA-N 0 1 267.731 4.231 10 0 CIAEMN Cc1cnc([C@@H](C)NCC2CCC(C(F)(F)F)CC2)o1 ZINC000337284416 526124094 /nfs/dbraw/zinc/12/40/94/526124094.db2.gz JLLPNKCGRSUBJH-VOMCLLRMSA-N 0 1 290.329 4.002 10 0 CIAEMN C[C@@H](N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003708683 567853431 /nfs/dbraw/zinc/85/34/31/567853431.db2.gz ZIEXJKLUPORUCR-ZCFIWIBFSA-N 0 1 273.188 4.137 10 0 CIAEMN CCCC[C@H]1CN(Cc2ccncc2)Cc2ccccc2O1 ZINC000011913387 567928762 /nfs/dbraw/zinc/92/87/62/567928762.db2.gz AJPZDPRQZNOOLU-SFHVURJKSA-N 0 1 296.414 4.035 10 0 CIAEMN Clc1cccc(-c2cnc(CNC3CC3)s2)c1Cl ZINC000083242834 178367749 /nfs/dbraw/zinc/36/77/49/178367749.db2.gz YEIUWVQMXJWKTJ-UHFFFAOYSA-N 0 1 299.226 4.369 10 0 CIAEMN Clc1ccccc1CNCc1ccc2cc[nH]c2c1 ZINC000083251108 178369751 /nfs/dbraw/zinc/36/97/51/178369751.db2.gz IHGZYJYUTPQQSE-UHFFFAOYSA-N 0 1 270.763 4.111 10 0 CIAEMN CNc1cc(C(C)C)nc2c(Cl)ccc(OC)c12 ZINC000104000284 185879614 /nfs/dbraw/zinc/87/96/14/185879614.db2.gz PJNUULXLOHGCFX-UHFFFAOYSA-N 0 1 264.756 4.062 10 0 CIAEMN CCOc1ccc2nc(-c3nc4ccc(C)cc4o3)[nH]c2c1 ZINC000005939706 170159168 /nfs/dbraw/zinc/15/91/68/170159168.db2.gz SBFHMGQQGUOSMY-UHFFFAOYSA-N 0 1 293.326 4.078 10 0 CIAEMN Cc1ccc(Cl)cc1-c1nc(-c2ccccc2)n[nH]1 ZINC000006071273 170174051 /nfs/dbraw/zinc/17/40/51/170174051.db2.gz GYURHAXCPUVCIO-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Cc1ccc(Cl)cc1-c1n[nH]c(-c2ccccc2)n1 ZINC000006071273 170174052 /nfs/dbraw/zinc/17/40/52/170174052.db2.gz GYURHAXCPUVCIO-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN C[C@@H]1CCC[C@H](C)N1Cc1ccc(Br)cc1 ZINC000009997553 170394079 /nfs/dbraw/zinc/39/40/79/170394079.db2.gz PIGIKHPZCSTRDF-TXEJJXNPSA-N 0 1 282.225 4.212 10 0 CIAEMN Fc1ccc(CN[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020133420 171021069 /nfs/dbraw/zinc/02/10/69/171021069.db2.gz HALFLCLJWCSINW-QGZVFWFLSA-N 0 1 273.326 4.132 10 0 CIAEMN Cc1ccc(CNCc2nc3ccccc3s2)c(C)c1 ZINC000020135886 171023046 /nfs/dbraw/zinc/02/30/46/171023046.db2.gz VIMUTRCKTINCFV-UHFFFAOYSA-N 0 1 282.412 4.203 10 0 CIAEMN c1ccc2c(c1)CC[C@H]2NCc1nc2ccccc2s1 ZINC000020136188 171023944 /nfs/dbraw/zinc/02/39/44/171023944.db2.gz ZHFZBOUMZNIXPG-CQSZACIVSA-N 0 1 280.396 4.073 10 0 CIAEMN C[C@H](NCc1ccc(Cl)s1)c1cccc(F)c1 ZINC000020148050 171035354 /nfs/dbraw/zinc/03/53/54/171035354.db2.gz WUZSNRNOXSUTKR-VIFPVBQESA-N 0 1 269.772 4.391 10 0 CIAEMN C[C@H](N[C@@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148455 171036666 /nfs/dbraw/zinc/03/66/66/171036666.db2.gz ODXPIGJQTISUTN-RYUDHWBXSA-N 0 1 285.416 4.047 10 0 CIAEMN CC(C)c1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000020362198 171161159 /nfs/dbraw/zinc/16/11/59/171161159.db2.gz PXVUPGZFSCYPFA-UHFFFAOYSA-N 0 1 289.762 4.421 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000020389369 171178185 /nfs/dbraw/zinc/17/81/85/171178185.db2.gz QZLQGYLJENMIDV-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN Cc1ccc([C@@H](N)c2cc3cccc(C)c3o2)cc1 ZINC000020389185 171178244 /nfs/dbraw/zinc/17/82/44/171178244.db2.gz UUFOLTBVBHVQPL-MRXNPFEDSA-N 0 1 251.329 4.098 10 0 CIAEMN CCOc1ccc([C@H](N)c2oc3ccccc3c2C)cc1 ZINC000020592895 171262779 /nfs/dbraw/zinc/26/27/79/171262779.db2.gz VAAPFYDYNAQHAG-KRWDZBQOSA-N 0 1 281.355 4.188 10 0 CIAEMN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1O ZINC000021030259 171291765 /nfs/dbraw/zinc/29/17/65/171291765.db2.gz FVSIABSZWDMBAU-UHFFFAOYSA-N 0 1 296.153 4.260 10 0 CIAEMN CCCc1nc2cc(-c3nc4ccccc4[nH]3)cc(C)c2[nH]1 ZINC000021986109 171345299 /nfs/dbraw/zinc/34/52/99/171345299.db2.gz SJDKRRCPDBARHK-UHFFFAOYSA-N 0 1 290.370 4.367 10 0 in-vitro CIAEMN C[C@H](Cc1ccco1)NCc1c(Cl)cccc1Cl ZINC000035254325 172084065 /nfs/dbraw/zinc/08/40/65/172084065.db2.gz POPHVVAPUPZIJQ-SNVBAGLBSA-N 0 1 284.186 4.307 10 0 CIAEMN Cc1cc([C@H](N)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000035382426 172165602 /nfs/dbraw/zinc/16/56/02/172165602.db2.gz UOVVRVGEHOOYJD-ZDUSSCGKSA-N 0 1 270.159 4.251 10 0 CIAEMN CCCC[C@@H](N)c1nc2cccc(Cl)c2s1 ZINC000035411307 172182771 /nfs/dbraw/zinc/18/27/71/172182771.db2.gz BRLOEOCHASFVGD-SECBINFHSA-N 0 1 254.786 4.140 10 0 CIAEMN CN[C@@H](c1ccc(C)o1)c1ccc(CC(C)C)cc1 ZINC000035459406 172208249 /nfs/dbraw/zinc/20/82/49/172208249.db2.gz UUSNEDRGLDWDAD-QGZVFWFLSA-N 0 1 257.377 4.095 10 0 CIAEMN CN[C@H](c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000035463970 172211397 /nfs/dbraw/zinc/21/13/97/172211397.db2.gz RAYIJPZSRCFPOV-CQSZACIVSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035464447 172212130 /nfs/dbraw/zinc/21/21/30/172212130.db2.gz AKJNYUSNLKYRPC-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC000035464301 172212500 /nfs/dbraw/zinc/21/25/00/172212500.db2.gz BTUNVHDKNAPVTC-AWEZNQCLSA-N 0 1 284.161 4.441 10 0 CIAEMN CN[C@H](c1ccc(C)cc1)c1ccccc1Br ZINC000035466320 172213579 /nfs/dbraw/zinc/21/35/79/172213579.db2.gz ADLPTWGRHAEQPH-OAHLLOKOSA-N 0 1 290.204 4.066 10 0 CIAEMN CN[C@@H](c1ccc(C)o1)c1ccc(C(C)(C)C)cc1 ZINC000035493344 172227066 /nfs/dbraw/zinc/22/70/66/172227066.db2.gz ZPZHUQKMXATESE-MRXNPFEDSA-N 0 1 257.377 4.194 10 0 CIAEMN CN[C@H](c1cc(C)sc1C)c1ccc(F)cc1Cl ZINC000035497683 172231358 /nfs/dbraw/zinc/23/13/58/172231358.db2.gz WBIYESURVKSDFT-AWEZNQCLSA-N 0 1 283.799 4.466 10 0 CIAEMN CN[C@@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035501797 172236955 /nfs/dbraw/zinc/23/69/55/172236955.db2.gz RDDOZDNOHSNKGK-LBPRGKRZSA-N 0 1 272.200 4.364 10 0 CIAEMN CCN[C@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035510220 172241583 /nfs/dbraw/zinc/24/15/83/172241583.db2.gz RPXKGQQMVPJMJV-CQSZACIVSA-N 0 1 267.344 4.034 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035553447 172259775 /nfs/dbraw/zinc/25/97/75/172259775.db2.gz MMCZAQWRCLAPMQ-AWEZNQCLSA-N 0 1 281.808 4.109 10 0 CIAEMN CCCN[C@@H](c1ccsc1)c1ccc(F)cc1F ZINC000035581874 172278419 /nfs/dbraw/zinc/27/84/19/172278419.db2.gz JEVRPXJECLLUKG-AWEZNQCLSA-N 0 1 267.344 4.115 10 0 CIAEMN N[C@@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239197 173056349 /nfs/dbraw/zinc/05/63/49/173056349.db2.gz WVMRKBXYADIOEX-LBPRGKRZSA-N 0 1 260.406 4.267 10 0 CIAEMN N[C@@H](c1cc(Cl)sc1Cl)c1cc(F)cc(F)c1 ZINC000037379583 173167431 /nfs/dbraw/zinc/16/74/31/173167431.db2.gz VMIXEYCGOBJXKQ-SNVBAGLBSA-N 0 1 294.153 4.381 10 0 CIAEMN CCCn1c2ccc(Cl)cc2nc1[C@@H](N)C(C)(C)C ZINC000037440526 173210597 /nfs/dbraw/zinc/21/05/97/173210597.db2.gz GWBILPZUSMXYGW-CYBMUJFWSA-N 0 1 279.815 4.146 10 0 CIAEMN CCN[C@@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078613 174088818 /nfs/dbraw/zinc/08/88/18/174088818.db2.gz HJTZBVCYYNUNCV-INIZCTEOSA-N 0 1 277.770 4.486 10 0 CIAEMN Cc1csc(CN[C@H](C)c2c(C)cc(C)cc2C)n1 ZINC000038090685 174103674 /nfs/dbraw/zinc/10/36/74/174103674.db2.gz PMKGMNFISSHVOA-CQSZACIVSA-N 0 1 274.433 4.228 10 0 CIAEMN COc1ccc(-c2[nH]c(SC)nc2-c2ccccc2)cc1 ZINC000040631762 174358195 /nfs/dbraw/zinc/35/81/95/174358195.db2.gz WOZSPIHZOUVNAO-UHFFFAOYSA-N 0 1 296.395 4.474 10 0 CIAEMN CC[C@H]1CCCCN1Cc1cc(Br)cs1 ZINC000043687005 175094303 /nfs/dbraw/zinc/09/43/03/175094303.db2.gz ISCLYPPYCRLWMM-NSHDSACASA-N 0 1 288.254 4.275 10 0 CIAEMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(Br)cs1 ZINC000043686982 175094453 /nfs/dbraw/zinc/09/44/53/175094453.db2.gz IASQYMXEVOGLQL-NXEZZACHSA-N 0 1 288.254 4.274 10 0 CIAEMN C[C@H]1CCC[C@H](C)N1Cc1cc(Br)cs1 ZINC000043686980 175094556 /nfs/dbraw/zinc/09/45/56/175094556.db2.gz IASQYMXEVOGLQL-UWVGGRQHSA-N 0 1 288.254 4.274 10 0 CIAEMN CCc1ccc([C@@H](N)c2cc3cc(C)ccc3o2)cc1 ZINC000071406724 176156363 /nfs/dbraw/zinc/15/63/63/176156363.db2.gz IJVCVLZWFDFAOD-GOSISDBHSA-N 0 1 265.356 4.352 10 0 CIAEMN Cc1ccc2oc([C@@H](N)c3ccc(C)c(C)c3)cc2c1 ZINC000071406824 176156498 /nfs/dbraw/zinc/15/64/98/176156498.db2.gz PRSKMIBQNPKGKS-SFHVURJKSA-N 0 1 265.356 4.406 10 0 CIAEMN CCN[C@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076784509 177091588 /nfs/dbraw/zinc/09/15/88/177091588.db2.gz WGCFFQVHQSMBIH-SNVBAGLBSA-N 0 1 280.824 4.058 10 0 CIAEMN Cc1cc2oc(CN)c(C(C)(C)C)c2c(C)c1Cl ZINC000077071673 177187823 /nfs/dbraw/zinc/18/78/23/177187823.db2.gz JDABGXZFNLDIIF-UHFFFAOYSA-N 0 1 265.784 4.459 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1cccc(Cl)c1 ZINC000092195275 260268623 /nfs/dbraw/zinc/26/86/23/260268623.db2.gz RDCNABKBWIHLSQ-QWRGUYRKSA-N 0 1 278.758 4.286 10 0 CIAEMN Cc1nc(CN[C@H](C)c2ccc(C)cc2C)sc1C ZINC000153922738 261084776 /nfs/dbraw/zinc/08/47/76/261084776.db2.gz OLBKYILCAJBQQO-CYBMUJFWSA-N 0 1 274.433 4.228 10 0 CIAEMN Cc1cncc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249589 262012861 /nfs/dbraw/zinc/01/28/61/262012861.db2.gz LHUUIWRNKGHSEW-RYUDHWBXSA-N 0 1 276.330 4.080 10 0 CIAEMN CC/C=C/CCN1CCCC[C@@H]1c1nccs1 ZINC000184493821 262021286 /nfs/dbraw/zinc/02/12/86/262021286.db2.gz WDIYXKMEPNQKRH-ITDFMYJTSA-N 0 1 250.411 4.026 10 0 CIAEMN CC/C=C/CCN1CCCC[C@H]1c1nccs1 ZINC000184493841 262021634 /nfs/dbraw/zinc/02/16/34/262021634.db2.gz WDIYXKMEPNQKRH-OOPCZODUSA-N 0 1 250.411 4.026 10 0 CIAEMN CCC[C@H](N[C@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875960 262031834 /nfs/dbraw/zinc/03/18/34/262031834.db2.gz XOFBDDYCNHRSNG-IRXDYDNUSA-N 0 1 282.387 4.036 10 0 CIAEMN COc1ccsc1[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000186073869 262078513 /nfs/dbraw/zinc/07/85/13/262078513.db2.gz QEVBKHQIGLHIKL-UWVGGRQHSA-N 0 1 297.370 4.447 10 0 CIAEMN C[C@H](N[C@H]1CCc2ccccc21)c1cc(F)ccc1F ZINC000020129920 262193578 /nfs/dbraw/zinc/19/35/78/262193578.db2.gz QZBCFDCJQVNJKV-GTNSWQLSSA-N 0 1 273.326 4.303 10 0 CIAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(C)s1 ZINC000127054578 264246892 /nfs/dbraw/zinc/24/68/92/264246892.db2.gz WUSKJTZGTFCFGO-CYBMUJFWSA-N 0 1 299.443 4.277 10 0 CIAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1sccc1C ZINC000127053628 264246916 /nfs/dbraw/zinc/24/69/16/264246916.db2.gz IGHOJRZONVNLBX-CYBMUJFWSA-N 0 1 299.443 4.277 10 0 CIAEMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000094952509 265277810 /nfs/dbraw/zinc/27/78/10/265277810.db2.gz PFPZSMYYDBPENG-AWEZNQCLSA-N 0 1 287.378 4.302 10 0 CIAEMN NC1(c2noc(-c3ccc4ccccc4c3)n2)CCCCC1 ZINC000261936082 327928004 /nfs/dbraw/zinc/92/80/04/327928004.db2.gz KIIQARGMYITRPH-UHFFFAOYSA-N 0 1 293.370 4.008 10 0 CIAEMN Fc1ccc2c(c1)nccc2N1CCC[C@H](C(F)(F)F)C1 ZINC000172068295 335093471 /nfs/dbraw/zinc/09/34/71/335093471.db2.gz ZNJJXISLTWZHLC-JTQLQIEISA-N 0 1 298.283 4.153 10 0 CIAEMN Cc1nccc(N[C@@H]2CCCc3cc(N)ccc32)c1Cl ZINC000261748041 327117029 /nfs/dbraw/zinc/11/70/29/327117029.db2.gz MRCZKYISRRLKHZ-CQSZACIVSA-N 0 1 287.794 4.115 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2ccc(C)c(Cl)c2)o1 ZINC000193731889 329061419 /nfs/dbraw/zinc/06/14/19/329061419.db2.gz QIMVNVRKQCLLME-GFCCVEGCSA-N 0 1 263.768 4.401 10 0 CIAEMN C[C@H]1C[C@H](CC[N@H+]2CCC[C@H](CCC(=O)[O-])C2)C[C@@H](C)C1 ZINC000263176727 330047403 /nfs/dbraw/zinc/04/74/03/330047403.db2.gz STTWYUUHQIMDGX-TWMKSMIVSA-N 0 1 295.467 4.026 10 0 CIAEMN C[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964336 330397384 /nfs/dbraw/zinc/39/73/84/330397384.db2.gz CDYTYLCJXSJFPD-XHDPSFHLSA-N 0 1 259.324 4.147 10 0 CIAEMN CC[C@H](CN[C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789850 333061381 /nfs/dbraw/zinc/06/13/81/333061381.db2.gz DJRSACFLIBWFLL-RKDXNWHRSA-N 0 1 294.197 4.208 10 0 CIAEMN CCSc1cccc(CN[C@H]2COc3ccccc32)c1 ZINC000185518704 333142696 /nfs/dbraw/zinc/14/26/96/333142696.db2.gz ALUSYWTWNVXCIT-INIZCTEOSA-N 0 1 285.412 4.022 10 0 CIAEMN Cc1cnc([C@@H](C)NC2CC(c3cccc(Cl)c3)C2)o1 ZINC000220947142 333171159 /nfs/dbraw/zinc/17/11/59/333171159.db2.gz KNEYAMXKBPUKAU-NUYPLMSZSA-N 0 1 290.794 4.233 10 0 CIAEMN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nccs1 ZINC000223280173 333206333 /nfs/dbraw/zinc/20/63/33/333206333.db2.gz AYEZKJRTJQGTNG-JMSVASOKSA-N 0 1 272.417 4.432 10 0 CIAEMN c1csc([C@H]2CCCCN2CCCc2ccccc2)n1 ZINC000195361990 333251272 /nfs/dbraw/zinc/25/12/72/333251272.db2.gz LPNUMAJPCYZXHD-MRXNPFEDSA-N 0 1 286.444 4.303 10 0 CIAEMN C[C@@H](c1ccccc1F)N1CCC[C@H](C(F)(F)F)C1 ZINC000193576781 333253629 /nfs/dbraw/zinc/25/36/29/333253629.db2.gz SYGDLWJEVYANNP-QWRGUYRKSA-N 0 1 275.289 4.161 10 0 CIAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959958 333437321 /nfs/dbraw/zinc/43/73/21/333437321.db2.gz OTOFMYODEHSYPR-KGLIPLIRSA-N 0 1 269.388 4.489 10 0 CIAEMN c1ccc2c(c1)OC[C@H]2NCc1cccc2ccccc21 ZINC000070529005 333815008 /nfs/dbraw/zinc/81/50/08/333815008.db2.gz IAPQYPYCYLKELI-GOSISDBHSA-N 0 1 275.351 4.063 10 0 CIAEMN CC(C)c1ccc([C@@H](C)NCc2cn3ccccc3n2)cc1 ZINC000072822662 333962550 /nfs/dbraw/zinc/96/25/50/333962550.db2.gz MFGBOAQRGLKOIS-OAHLLOKOSA-N 0 1 293.414 4.309 10 0 CIAEMN C[C@H](NCc1cccc2c1OC(C)(C)C2)c1cccs1 ZINC000080507266 334172317 /nfs/dbraw/zinc/17/23/17/334172317.db2.gz OVBRHEWWDNGLQW-LBPRGKRZSA-N 0 1 287.428 4.312 10 0 CIAEMN C[C@@H](NC[C@@H](O)C(C)(C)C)c1cc(Cl)sc1Cl ZINC000164049284 334875465 /nfs/dbraw/zinc/87/54/65/334875465.db2.gz GOQQEGZAWHVGMY-VXNVDRBHSA-N 0 1 296.263 4.113 10 0 CIAEMN CCCC[C@H](C)n1c(N)nc2cccc(Cl)c21 ZINC000050889836 521154885 /nfs/dbraw/zinc/15/48/85/521154885.db2.gz FRVBODOOWJVYPL-VIFPVBQESA-N 0 1 251.761 4.023 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@H](CC)C(C)C ZINC000052854043 521541352 /nfs/dbraw/zinc/54/13/52/521541352.db2.gz ZBXMYWKRXCCRRN-CQSZACIVSA-N 0 1 259.397 4.178 10 0 CIAEMN C[C@@H](NC1=NC[C@@H](c2ccccc2)S1)c1ccsc1 ZINC000061365253 525394352 /nfs/dbraw/zinc/39/43/52/525394352.db2.gz IHZQSPLNQRKZJG-RISCZKNCSA-N 0 1 288.441 4.243 10 0 CIAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274946523 525418183 /nfs/dbraw/zinc/41/81/83/525418183.db2.gz UMXKQUFUNIKHFC-STQMWFEESA-N 0 1 274.795 4.455 10 0 CIAEMN C[C@H](NCc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000062705965 525430018 /nfs/dbraw/zinc/43/00/18/525430018.db2.gz UGOLRZXFYLSHCD-QMMMGPOBSA-N 0 1 271.307 4.016 10 0 CIAEMN C[C@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)cn1 ZINC000274886496 525633641 /nfs/dbraw/zinc/63/36/41/525633641.db2.gz IPIJKDQKZLETPV-ZBEGNZNMSA-N 0 1 272.779 4.073 10 0 CIAEMN C[C@H](Nc1ccc(N)c2cnccc12)c1ccsc1 ZINC000061361295 525652968 /nfs/dbraw/zinc/65/29/68/525652968.db2.gz FPTWOTXDKZGPEM-JTQLQIEISA-N 0 1 269.373 4.052 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953186 525747475 /nfs/dbraw/zinc/74/74/75/525747475.db2.gz YKXWIJPEJUXVRF-GHMZBOCLSA-N 0 1 265.303 4.278 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2N(C)C)o1 ZINC000093941433 525747525 /nfs/dbraw/zinc/74/75/25/525747525.db2.gz QVPOBONODUMQFJ-ZIAGYGMSSA-N 0 1 272.392 4.066 10 0 CIAEMN CC[C@@H](C)N[C@H](C)c1c(Br)ccc(F)c1F ZINC000725262138 570262355 /nfs/dbraw/zinc/26/23/55/570262355.db2.gz YMKJSPCQWXLUSP-HTQZYQBOSA-N 0 1 292.167 4.176 10 0 CIAEMN CCCN(CCC)Cc1cccc(F)c1Br ZINC000158009008 570395116 /nfs/dbraw/zinc/39/51/16/570395116.db2.gz JDVLSMBAQVLUER-UHFFFAOYSA-N 0 1 288.204 4.210 10 0 CIAEMN CCCNc1cc(C)nc2c(C)cc(Br)cc12 ZINC000110448851 186296971 /nfs/dbraw/zinc/29/69/71/186296971.db2.gz KUQYSVNVCBPKBY-UHFFFAOYSA-N 0 1 293.208 4.436 10 0 CIAEMN Cc1cc(Cl)ccc1-c1n[nH]c(-c2ccccc2)n1 ZINC000006070167 170173787 /nfs/dbraw/zinc/17/37/87/170173787.db2.gz LGVUPKLKXKOWAC-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN Cc1cc(Cl)ccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000006070167 170173788 /nfs/dbraw/zinc/17/37/88/170173788.db2.gz LGVUPKLKXKOWAC-UHFFFAOYSA-N 0 1 269.735 4.101 10 0 CIAEMN c1ccc2c(c1)CC[C@@H]2NCc1nc2ccccc2s1 ZINC000020136190 171023757 /nfs/dbraw/zinc/02/37/57/171023757.db2.gz ZHFZBOUMZNIXPG-AWEZNQCLSA-N 0 1 280.396 4.073 10 0 CIAEMN Cc1ccccc1[C@@H](C)NCc1nc2ccccc2s1 ZINC000020136228 171024084 /nfs/dbraw/zinc/02/40/84/171024084.db2.gz DVQDJOMEHHQKRH-CYBMUJFWSA-N 0 1 282.412 4.456 10 0 CIAEMN Cc1ccc(C)c([C@H](N)c2cc3ccccc3o2)c1 ZINC000020369061 171167186 /nfs/dbraw/zinc/16/71/86/171167186.db2.gz QXUAXUIBPCQLCB-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN CC(C)c1n[nH]c(=S)n1-c1cccc(C(C)C)c1 ZINC000020590982 171261331 /nfs/dbraw/zinc/26/13/31/171261331.db2.gz LJMXPXGDLHCOAG-UHFFFAOYSA-N 0 1 261.394 4.177 10 0 CIAEMN Nc1ccc2nc(-c3cc4c(s3)CCCCC4)[nH]c2c1 ZINC000021819507 171334292 /nfs/dbraw/zinc/33/42/92/171334292.db2.gz XGYQCHBVBCQDEJ-UHFFFAOYSA-N 0 1 283.400 4.143 10 0 CIAEMN C[C@H](Nc1ccc2[nH]c(C(C)(C)C)nc2c1)C1CC1 ZINC000022152246 171359508 /nfs/dbraw/zinc/35/95/08/171359508.db2.gz RMGJBUJTRLBXHX-JTQLQIEISA-N 0 1 257.381 4.071 10 0 CIAEMN C[C@H](Nc1ccc2nc(C(C)(C)C)[nH]c2c1)C1CC1 ZINC000022152246 171359510 /nfs/dbraw/zinc/35/95/10/171359510.db2.gz RMGJBUJTRLBXHX-JTQLQIEISA-N 0 1 257.381 4.071 10 0 CIAEMN Cc1ccc(C)c([C@H](C)NCc2ccc(F)cc2F)c1 ZINC000034993070 171920657 /nfs/dbraw/zinc/92/06/57/171920657.db2.gz KYIDAVOSIIXSTA-ZDUSSCGKSA-N 0 1 275.342 4.432 10 0 CIAEMN N[C@@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035382451 172165665 /nfs/dbraw/zinc/16/56/65/172165665.db2.gz GXWCKDRXNGPWCH-QMMMGPOBSA-N 0 1 264.202 4.165 10 0 CIAEMN CCc1ccc([C@H](NC)c2c(F)cccc2Cl)s1 ZINC000035461257 172210309 /nfs/dbraw/zinc/21/03/09/172210309.db2.gz BXAPTRRBYWJBBN-AWEZNQCLSA-N 0 1 283.799 4.412 10 0 CIAEMN CN[C@@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035465443 172212937 /nfs/dbraw/zinc/21/29/37/172212937.db2.gz WGQAKHNXMFEAPK-AWEZNQCLSA-N 0 1 266.171 4.302 10 0 CIAEMN CCc1ccc([C@H](NC)c2cc(Cl)ccc2F)cc1 ZINC000035495087 172228206 /nfs/dbraw/zinc/22/82/06/172228206.db2.gz AQICRWFZALZNTR-INIZCTEOSA-N 0 1 277.770 4.350 10 0 CIAEMN CCN[C@@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035538762 172244988 /nfs/dbraw/zinc/24/49/88/172244988.db2.gz YUXLASFDRMOKMN-CQSZACIVSA-N 0 1 294.192 4.049 10 0 CIAEMN CCN[C@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035540301 172246584 /nfs/dbraw/zinc/24/65/84/172246584.db2.gz NHSFYQVEGIWBQZ-OAHLLOKOSA-N 0 1 281.733 4.317 10 0 CIAEMN CCN[C@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035544524 172252755 /nfs/dbraw/zinc/25/27/55/172252755.db2.gz QGYNUIVGLOYCLF-ZDUSSCGKSA-N 0 1 285.334 4.173 10 0 CIAEMN CCN[C@@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035544526 172253092 /nfs/dbraw/zinc/25/30/92/172253092.db2.gz QGYNUIVGLOYCLF-CYBMUJFWSA-N 0 1 285.334 4.173 10 0 CIAEMN CCN[C@@H](c1cccs1)c1ccccc1Br ZINC000035545648 172253515 /nfs/dbraw/zinc/25/35/15/172253515.db2.gz NNCGRAZKDRQIKX-CYBMUJFWSA-N 0 1 296.233 4.210 10 0 CIAEMN CCN[C@@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035552796 172260266 /nfs/dbraw/zinc/26/02/66/172260266.db2.gz MGAQIIMWAVGWRU-LBPRGKRZSA-N 0 1 255.770 4.002 10 0 CIAEMN CCN[C@@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035557889 172263293 /nfs/dbraw/zinc/26/32/93/172263293.db2.gz CBTHMKHUSVXRBG-CYBMUJFWSA-N 0 1 270.159 4.285 10 0 CIAEMN CCCN[C@@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035573163 172269755 /nfs/dbraw/zinc/26/97/55/172269755.db2.gz APWMHNWYHIONSG-HNNXBMFYSA-N 0 1 281.371 4.424 10 0 CIAEMN CCCN[C@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035573836 172270550 /nfs/dbraw/zinc/27/05/50/172270550.db2.gz WHZWZMUNJYRWAJ-HNNXBMFYSA-N 0 1 279.767 4.031 10 0 CIAEMN CCCN[C@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035583475 172281794 /nfs/dbraw/zinc/28/17/94/172281794.db2.gz URMUKYWKGNXOHD-CYBMUJFWSA-N 0 1 269.797 4.392 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738626 172392762 /nfs/dbraw/zinc/39/27/62/172392762.db2.gz NSSLKCBDHZZBQA-QWHCGFSZSA-N 0 1 255.361 4.180 10 0 CIAEMN C[C@@H](c1ccccc1Cl)N1CCc2c(N)cccc2C1 ZINC000038032666 174028345 /nfs/dbraw/zinc/02/83/45/174028345.db2.gz QFSZLHACDGAROM-LBPRGKRZSA-N 0 1 286.806 4.042 10 0 CIAEMN Cc1ccc2sc([C@@H](N)C3CCCCC3)nc2c1 ZINC000038036883 174036812 /nfs/dbraw/zinc/03/68/12/174036812.db2.gz QULBLDGLWIVRQS-AWEZNQCLSA-N 0 1 260.406 4.185 10 0 CIAEMN CCOc1cccc([C@H](NC)c2ccccc2Cl)c1 ZINC000038078469 174088779 /nfs/dbraw/zinc/08/87/79/174088779.db2.gz LDWWSGILIDGDTL-INIZCTEOSA-N 0 1 275.779 4.048 10 0 CIAEMN CN[C@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078612 174088952 /nfs/dbraw/zinc/08/89/52/174088952.db2.gz KGOGMDKWSNPSOE-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN Fc1ccc(Nc2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000040379102 174250247 /nfs/dbraw/zinc/25/02/47/174250247.db2.gz YCZYKNPVSDMSBF-UHFFFAOYSA-N 0 1 279.677 4.238 10 0 CIAEMN CC(C)C[C@@H](C)N(C)Cc1sccc1Br ZINC000043511669 175060094 /nfs/dbraw/zinc/06/00/94/175060094.db2.gz LQXAOXFGSPVJQE-SNVBAGLBSA-N 0 1 290.270 4.377 10 0 CIAEMN CCCn1ccc(CN[C@@H](C)c2ccc(F)cc2F)c1 ZINC000091010495 260264795 /nfs/dbraw/zinc/26/47/95/260264795.db2.gz BFRHNVRZRVZOKT-LBPRGKRZSA-N 0 1 278.346 4.027 10 0 CIAEMN Cc1cc(Cl)ccc1CN[C@H]1CCOc2ccccc21 ZINC000128736218 260378419 /nfs/dbraw/zinc/37/84/19/260378419.db2.gz BQMZVXBLGJKHAF-INIZCTEOSA-N 0 1 287.790 4.262 10 0 CIAEMN Cc1ccccc1[C@@H](NCc1cccnc1)c1ccccc1 ZINC000178009404 261375017 /nfs/dbraw/zinc/37/50/17/261375017.db2.gz XCSFQVOJHTTZOU-FQEVSTJZSA-N 0 1 288.394 4.269 10 0 CIAEMN COc1ccsc1[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000186073884 262078089 /nfs/dbraw/zinc/07/80/89/262078089.db2.gz QEVBKHQIGLHIKL-ZJUUUORDSA-N 0 1 297.370 4.447 10 0 CIAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094837060 265262097 /nfs/dbraw/zinc/26/20/97/265262097.db2.gz QIFPQRVUBDZHEN-QWHCGFSZSA-N 0 1 261.340 4.447 10 0 CIAEMN C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000172028680 335089780 /nfs/dbraw/zinc/08/97/80/335089780.db2.gz FOFVQYXFPLWDJZ-SWLSCSKDSA-N 0 1 259.324 4.317 10 0 CIAEMN C[C@@H](c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000172028680 335089781 /nfs/dbraw/zinc/08/97/81/335089781.db2.gz FOFVQYXFPLWDJZ-SWLSCSKDSA-N 0 1 259.324 4.317 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000179092878 327799125 /nfs/dbraw/zinc/79/91/25/327799125.db2.gz UKYJXXUUTBRFBO-UWVGGRQHSA-N 0 1 296.748 4.425 10 0 CIAEMN c1coc([C@@H](NCCc2ccsc2)c2ccccc2)c1 ZINC000049152884 328349653 /nfs/dbraw/zinc/34/96/53/328349653.db2.gz ZTXGAODUCGHKHN-KRWDZBQOSA-N 0 1 283.396 4.263 10 0 CIAEMN NC1(c2noc(-c3cccc4ccccc43)n2)CCCCC1 ZINC000261988238 326991666 /nfs/dbraw/zinc/99/16/66/326991666.db2.gz SMKGQNRDIQOWFY-UHFFFAOYSA-N 0 1 293.370 4.008 10 0 CIAEMN CC[C@H](c1ccncc1)N(C)Cc1ccc2ccccc2n1 ZINC000092224001 327190485 /nfs/dbraw/zinc/19/04/85/327190485.db2.gz VIBPPFXOIFSLLZ-LJQANCHMSA-N 0 1 291.398 4.213 10 0 CIAEMN CCc1ccc([C@H]2CCCC[N@H+]2CCc2cccnc2)o1 ZINC000172871132 329139504 /nfs/dbraw/zinc/13/95/04/329139504.db2.gz UUROSNFQKNWUSK-QGZVFWFLSA-N 0 1 284.403 4.007 10 0 CIAEMN Cc1ccc([C@H]2CCCC[N@H+]2Cc2sc(C)nc2C)o1 ZINC000172869811 329139604 /nfs/dbraw/zinc/13/96/04/329139604.db2.gz VPMIIZKBKLXLLK-CQSZACIVSA-N 0 1 290.432 4.389 10 0 CIAEMN Cc1ccc([C@H]2CCCCN2Cc2sc(C)nc2C)o1 ZINC000172869811 329139606 /nfs/dbraw/zinc/13/96/06/329139606.db2.gz VPMIIZKBKLXLLK-CQSZACIVSA-N 0 1 290.432 4.389 10 0 CIAEMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)s2)c(C)n1 ZINC000187495508 329358196 /nfs/dbraw/zinc/35/81/96/329358196.db2.gz RMXPBKRDHGGKSY-NSHDSACASA-N 0 1 280.824 4.264 10 0 CIAEMN CC(C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789820 330250953 /nfs/dbraw/zinc/25/09/53/330250953.db2.gz MRWLWXFKUUCRAR-ZETCQYMHSA-N 0 1 250.144 4.192 10 0 CIAEMN Clc1cnccc1CN[C@H]1CCCCc2ccccc21 ZINC000527653464 330272548 /nfs/dbraw/zinc/27/25/48/330272548.db2.gz UHLFMWXGPZNDMZ-KRWDZBQOSA-N 0 1 286.806 4.292 10 0 CIAEMN CCc1ccc([C@H](C)NCc2ncc(C)c(OC)c2C)cc1 ZINC000121436616 330401316 /nfs/dbraw/zinc/40/13/16/330401316.db2.gz XNOJDGDCOLOAEX-HNNXBMFYSA-N 0 1 298.430 4.120 10 0 CIAEMN C[C@H](N[C@H]1C[C@H]1C)c1cc(Cl)sc1Cl ZINC000167289011 331308156 /nfs/dbraw/zinc/30/81/56/331308156.db2.gz PWPSHKLXTAMCKW-CHKWXVPMSA-N 0 1 250.194 4.114 10 0 CIAEMN C[C@H](c1ccccc1F)N1CCC[C@H](C(F)(F)F)C1 ZINC000193576790 333253645 /nfs/dbraw/zinc/25/36/45/333253645.db2.gz SYGDLWJEVYANNP-MNOVXSKESA-N 0 1 275.289 4.161 10 0 CIAEMN Cc1ccc(F)c(CN[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000228786888 333296876 /nfs/dbraw/zinc/29/68/76/333296876.db2.gz HTWLUJFUVSVZRI-ZDUSSCGKSA-N 0 1 275.342 4.432 10 0 CIAEMN Cc1cnc([C@H](C)NC2CCC3(CCCC3)CC2)o1 ZINC000231738299 333328900 /nfs/dbraw/zinc/32/89/00/333328900.db2.gz FNQOVJOTHNIGNN-ZDUSSCGKSA-N 0 1 262.397 4.137 10 0 CIAEMN Cc1csc(CN[C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000126154743 333591424 /nfs/dbraw/zinc/59/14/24/333591424.db2.gz NBVXVWUFGFKMHY-MRXNPFEDSA-N 0 1 286.444 4.255 10 0 CIAEMN C[C@H](c1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000246927451 334272265 /nfs/dbraw/zinc/27/22/65/334272265.db2.gz IGZJLQTWFZOMCQ-DOMZBBRYSA-N 0 1 259.324 4.317 10 0 CIAEMN C[C@@H](c1ccccc1F)N1CCC[C@H]1c1ccco1 ZINC000247546969 334285263 /nfs/dbraw/zinc/28/52/63/334285263.db2.gz RSFVRRNPPVJICY-WFASDCNBSA-N 0 1 259.324 4.317 10 0 CIAEMN CCCC[C@@H](C)n1c(N)nc2cc(Br)ccc21 ZINC000050889837 521013389 /nfs/dbraw/zinc/01/33/89/521013389.db2.gz NMHCSNUAGZCCSI-SECBINFHSA-N 0 1 296.212 4.132 10 0 CIAEMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738832 520418001 /nfs/dbraw/zinc/41/80/01/520418001.db2.gz KUCMVXVRQQRSSS-ZIAGYGMSSA-N 0 1 273.376 4.480 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@@H](CC)C(C)C ZINC000052854041 521541492 /nfs/dbraw/zinc/54/14/92/521541492.db2.gz ZBXMYWKRXCCRRN-AWEZNQCLSA-N 0 1 259.397 4.178 10 0 CIAEMN CN[C@H](c1ccc(Cl)cc1)c1cc(C)ccc1F ZINC000052982029 522479129 /nfs/dbraw/zinc/47/91/29/522479129.db2.gz TXFYBRJXZXQOJL-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN CC[C@@H](NC1=N[C@@H](CC(C)C)CS1)c1cccs1 ZINC000049531682 522808091 /nfs/dbraw/zinc/80/80/91/522808091.db2.gz QUORVOIPUIZXJK-NWDGAFQWSA-N 0 1 282.478 4.306 10 0 CIAEMN CN(Cc1nc2sccc2c(Cl)n1)C1CCCCC1 ZINC000050839831 523572459 /nfs/dbraw/zinc/57/24/59/523572459.db2.gz CYIYBYQHNZPKEL-UHFFFAOYSA-N 0 1 295.839 4.109 10 0 CIAEMN Cc1ccc([C@H](C)NCc2cc(Cl)cs2)o1 ZINC000086332396 525928712 /nfs/dbraw/zinc/92/87/12/525928712.db2.gz JUPBFPOVVSHUMK-VIFPVBQESA-N 0 1 255.770 4.154 10 0 CIAEMN CC(C)(C)[C@@H](N)c1cc2cc(Br)ccc2o1 ZINC000019433207 567211440 /nfs/dbraw/zinc/21/14/40/567211440.db2.gz BNSBPWYLDVXTMV-LBPRGKRZSA-N 0 1 282.181 4.241 10 0 CIAEMN Cc1cc2nc(-c3ccccc3F)[nH]c2cc1Cl ZINC000073638970 567893622 /nfs/dbraw/zinc/89/36/22/567893622.db2.gz VYQMUQIOLJJVPI-UHFFFAOYSA-N 0 1 260.699 4.331 10 0 CIAEMN COc1ccccc1CN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504897 178069147 /nfs/dbraw/zinc/06/91/47/178069147.db2.gz MAICWXCBVMFHJV-INIZCTEOSA-N 0 1 297.398 4.087 10 0 CIAEMN CCCCN(CCCC)[C@H](C(=O)OCC)c1ccccc1 ZINC000095861414 185030022 /nfs/dbraw/zinc/03/00/22/185030022.db2.gz UOSBBMDSNMPFPS-KRWDZBQOSA-N 0 1 291.435 4.193 10 0 CIAEMN CNc1cc(C(C)(C)C)nc2ccc(Br)cc21 ZINC000104017165 185883736 /nfs/dbraw/zinc/88/37/36/185883736.db2.gz HIDSZYJMBXBMFA-UHFFFAOYSA-N 0 1 293.208 4.337 10 0 CIAEMN Cc1c2ccccc2sc1[C@@H](C)NCc1ccnc(C)n1 ZINC000038037743 184544916 /nfs/dbraw/zinc/54/49/16/184544916.db2.gz VYQHRZZNQHSYCD-GFCCVEGCSA-N 0 1 297.427 4.159 10 0 CIAEMN CC(C)(C)c1nc(-c2cccnc2)c(-c2ccccc2)[nH]1 ZINC000005114329 170067299 /nfs/dbraw/zinc/06/72/99/170067299.db2.gz CEOUDUCITJEQQT-UHFFFAOYSA-N 0 1 277.371 4.436 10 0 CIAEMN CC(C)(C)c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000005685921 170129127 /nfs/dbraw/zinc/12/91/27/170129127.db2.gz MSZBCYMSQZPGGV-UHFFFAOYSA-N 0 1 285.174 4.132 10 0 CIAEMN COc1cccc(-c2nc(-c3ccc(Cl)cc3C)n[nH]2)c1 ZINC000006070164 170173639 /nfs/dbraw/zinc/17/36/39/170173639.db2.gz JQVCKQSNWIUGRF-UHFFFAOYSA-N 0 1 299.761 4.109 10 0 CIAEMN COc1cccc(-c2n[nH]c(-c3ccc(Cl)cc3C)n2)c1 ZINC000006070164 170173640 /nfs/dbraw/zinc/17/36/40/170173640.db2.gz JQVCKQSNWIUGRF-UHFFFAOYSA-N 0 1 299.761 4.109 10 0 CIAEMN c1ccc2c(c1)[nH]c1c2CCN2C[C@@H]3CCCC[C@H]3C[C@@H]12 ZINC000006117794 170177146 /nfs/dbraw/zinc/17/71/46/170177146.db2.gz JUPDIHMJFPDGMY-DEYYWGMASA-N 0 1 280.415 4.277 10 0 in-vitro CIAEMN C[C@H](N[C@@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147867 171035552 /nfs/dbraw/zinc/03/55/52/171035552.db2.gz AYPBLVBURXRCAF-RYUDHWBXSA-N 0 1 261.315 4.377 10 0 CIAEMN CCCc1ccc([C@@H](N)c2cc3ccccc3o2)cc1 ZINC000020369082 171166831 /nfs/dbraw/zinc/16/68/31/171166831.db2.gz KMURDLAQGQLZPM-GOSISDBHSA-N 0 1 265.356 4.433 10 0 CIAEMN Cc1ccc([C@H](N)c2cc3ccccc3o2)c(C)c1 ZINC000020369045 171167180 /nfs/dbraw/zinc/16/71/80/171167180.db2.gz CSAZYPDINHABCG-KRWDZBQOSA-N 0 1 251.329 4.098 10 0 CIAEMN Nc1cc(Cl)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000020374727 171170133 /nfs/dbraw/zinc/17/01/33/171170133.db2.gz NCTBFFZFXFYJCW-UHFFFAOYSA-N 0 1 278.142 4.119 10 0 CIAEMN CC(C)c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 ZINC000021509604 171309624 /nfs/dbraw/zinc/30/96/24/171309624.db2.gz YXVLCMNXBBUWSU-UHFFFAOYSA-N 0 1 289.762 4.421 10 0 CIAEMN Cc1cc([C@@H](N)c2cc(Cl)sc2Cl)c(C)o1 ZINC000035382476 172165613 /nfs/dbraw/zinc/16/56/13/172165613.db2.gz FLCVVJODFBMPFP-SNVBAGLBSA-N 0 1 276.188 4.313 10 0 CIAEMN CCCC[C@H](N)c1nc2cccc(Cl)c2s1 ZINC000035411306 172182713 /nfs/dbraw/zinc/18/27/13/172182713.db2.gz BRLOEOCHASFVGD-VIFPVBQESA-N 0 1 254.786 4.140 10 0 CIAEMN CN[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035464140 172212209 /nfs/dbraw/zinc/21/22/09/172212209.db2.gz DYOPVUZPIMHHLO-AWEZNQCLSA-N 0 1 266.171 4.302 10 0 CIAEMN CN[C@@H](c1ccc(C)cc1)c1ccccc1Br ZINC000035466319 172213592 /nfs/dbraw/zinc/21/35/92/172213592.db2.gz ADLPTWGRHAEQPH-HNNXBMFYSA-N 0 1 290.204 4.066 10 0 CIAEMN CN[C@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035466210 172214059 /nfs/dbraw/zinc/21/40/59/172214059.db2.gz IZAQPWXKVFYVNU-OAHLLOKOSA-N 0 1 263.743 4.096 10 0 CIAEMN CN[C@H](c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000035494472 172227544 /nfs/dbraw/zinc/22/75/44/172227544.db2.gz SDBYRQSCRWUDTC-CQSZACIVSA-N 0 1 285.696 4.066 10 0 CIAEMN CN[C@@H](c1cc(C)sc1C)c1cc(Cl)ccc1F ZINC000035497593 172231347 /nfs/dbraw/zinc/23/13/47/172231347.db2.gz NFMXTZGZBWHFRR-AWEZNQCLSA-N 0 1 283.799 4.466 10 0 CIAEMN CCOc1ccccc1[C@@H](NC)c1ccc(Cl)s1 ZINC000035498404 172232215 /nfs/dbraw/zinc/23/22/15/172232215.db2.gz OPXVLJBQSSDDHH-CQSZACIVSA-N 0 1 281.808 4.109 10 0 CIAEMN CCN[C@H](c1ccccc1)c1c(F)cccc1Cl ZINC000035540683 172246817 /nfs/dbraw/zinc/24/68/17/172246817.db2.gz VVZMJJDUVJHFET-OAHLLOKOSA-N 0 1 263.743 4.178 10 0 CIAEMN CCN[C@@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035544528 172252603 /nfs/dbraw/zinc/25/26/03/172252603.db2.gz FZEJVXXGXCGDEJ-AWEZNQCLSA-N 0 1 285.334 4.173 10 0 CIAEMN CCN[C@@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035545530 172253650 /nfs/dbraw/zinc/25/36/50/172253650.db2.gz FOUHZXFCWYRGKJ-CYBMUJFWSA-N 0 1 269.772 4.240 10 0 CIAEMN CCN[C@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035552854 172260041 /nfs/dbraw/zinc/26/00/41/172260041.db2.gz CSPGQIUYZPKPOD-ZDUSSCGKSA-N 0 1 269.797 4.310 10 0 CIAEMN CCCN[C@H](c1ccc(Cl)s1)c1occc1C ZINC000035583489 172281842 /nfs/dbraw/zinc/28/18/42/172281842.db2.gz RSNJFTUXLYEKMD-GFCCVEGCSA-N 0 1 269.797 4.392 10 0 CIAEMN Cc1c2cc(C)ccc2oc1[C@H](N)c1ccccc1 ZINC000035630550 172311995 /nfs/dbraw/zinc/31/19/95/172311995.db2.gz ROVPDCIEMRTYCA-MRXNPFEDSA-N 0 1 251.329 4.098 10 0 CIAEMN CC(C)N[C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653160 172329496 /nfs/dbraw/zinc/32/94/96/172329496.db2.gz KWHDRXARRJYIHY-QMMMGPOBSA-N 0 1 280.582 4.078 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738463 172391289 /nfs/dbraw/zinc/39/12/89/172391289.db2.gz ISNZWZZGIZHSDQ-BDAKNGLRSA-N 0 1 255.770 4.406 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738462 172391916 /nfs/dbraw/zinc/39/19/16/172391916.db2.gz ISNZWZZGIZHSDQ-IUCAKERBSA-N 0 1 255.770 4.406 10 0 CIAEMN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738700 172392756 /nfs/dbraw/zinc/39/27/56/172392756.db2.gz GPSSIDHMSWWROO-UWVGGRQHSA-N 0 1 267.731 4.484 10 0 CIAEMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000035738701 172392794 /nfs/dbraw/zinc/39/27/94/172392794.db2.gz GPSSIDHMSWWROO-ZJUUUORDSA-N 0 1 267.731 4.484 10 0 CIAEMN CCN[C@H](c1ccsc1)c1ccc(OC)cc1Cl ZINC000036768599 172685887 /nfs/dbraw/zinc/68/58/87/172685887.db2.gz QFKUEBSPDHSUTF-CQSZACIVSA-N 0 1 281.808 4.109 10 0 CIAEMN C[C@H](N[C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260567 173070565 /nfs/dbraw/zinc/07/05/65/173070565.db2.gz IXMNLQQPHUWCTG-MEDUHNTESA-N 0 1 259.324 4.221 10 0 CIAEMN N[C@@H](c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1 ZINC000037379524 173166798 /nfs/dbraw/zinc/16/67/98/173166798.db2.gz VZDZZYOXQORKBB-SNVBAGLBSA-N 0 1 294.153 4.381 10 0 CIAEMN C[C@H](c1ccc(Cl)cc1)N1CCc2c(N)cccc2C1 ZINC000038032642 174028582 /nfs/dbraw/zinc/02/85/82/174028582.db2.gz RSXYDQWMNSQGOM-GFCCVEGCSA-N 0 1 286.806 4.042 10 0 CIAEMN Nc1ccc2nc(-c3ccccc3-c3ccccc3)[nH]c2c1 ZINC000038304034 174138877 /nfs/dbraw/zinc/13/88/77/174138877.db2.gz RZABADNPHMYRHI-UHFFFAOYSA-N 0 1 285.350 4.479 10 0 CIAEMN CC(C)(C)c1ccc(-c2n[nH]c(-c3ccco3)n2)cc1 ZINC000040174253 174200438 /nfs/dbraw/zinc/20/04/38/174200438.db2.gz OCHWSSIXFVDWDS-UHFFFAOYSA-N 0 1 267.332 4.029 10 0 CIAEMN [O-]c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000043477061 175054694 /nfs/dbraw/zinc/05/46/94/175054694.db2.gz CSORIEOQFCMACG-UHFFFAOYSA-N 0 1 296.197 4.031 10 0 CIAEMN [O-]c1ccc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000043476738 175054958 /nfs/dbraw/zinc/05/49/58/175054958.db2.gz OABHJTBIBMJEPV-UHFFFAOYSA-N 0 1 267.800 4.248 10 0 CIAEMN CCC1CCN(Cc2cc(Br)cs2)CC1 ZINC000043687212 175094864 /nfs/dbraw/zinc/09/48/64/175094864.db2.gz KUAZFYHMZGWSOJ-UHFFFAOYSA-N 0 1 288.254 4.133 10 0 CIAEMN C[C@@H](NCc1ccccc1)c1nc2c(s1)CCCCC2 ZINC000045205961 175327468 /nfs/dbraw/zinc/32/74/68/175327468.db2.gz FZCPLPCWYWSLNT-CYBMUJFWSA-N 0 1 286.444 4.263 10 0 CIAEMN C[C@H](NCc1ccccc1)c1nc2c(s1)CCCCC2 ZINC000045205960 175327486 /nfs/dbraw/zinc/32/74/86/175327486.db2.gz FZCPLPCWYWSLNT-ZDUSSCGKSA-N 0 1 286.444 4.263 10 0 CIAEMN CCc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)cc1 ZINC000092195760 260267985 /nfs/dbraw/zinc/26/79/85/260267985.db2.gz UFOSUSCXHCRTCD-CHWSQXEVSA-N 0 1 272.367 4.195 10 0 CIAEMN CCc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)o2)s1 ZINC000158099713 261158147 /nfs/dbraw/zinc/15/81/47/261158147.db2.gz OXUHMXAFSXQMQH-WDEREUQCSA-N 0 1 278.421 4.327 10 0 CIAEMN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249574 262013062 /nfs/dbraw/zinc/01/30/62/262013062.db2.gz LHUUIWRNKGHSEW-NWDGAFQWSA-N 0 1 276.330 4.080 10 0 CIAEMN Cc1cncc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249610 262013216 /nfs/dbraw/zinc/01/32/16/262013216.db2.gz LHUUIWRNKGHSEW-VXGBXAGGSA-N 0 1 276.330 4.080 10 0 CIAEMN Fc1cc2cccnc2c(CN2CCC[C@@H]2c2ccco2)c1 ZINC000116289344 267136369 /nfs/dbraw/zinc/13/63/69/267136369.db2.gz VHTLWBLUGBNHKV-MRXNPFEDSA-N 0 1 296.345 4.304 10 0 CIAEMN CCCCC1CCC(c2nc(C3(N)CCCC3)no2)CC1 ZINC000041153123 328024630 /nfs/dbraw/zinc/02/46/30/328024630.db2.gz HMDJDBVNPIYVAT-UHFFFAOYSA-N 0 1 291.439 4.262 10 0 CIAEMN Cc1ccc([C@H](C)NCc2ccc(C)c(Cl)c2)o1 ZINC000193731870 329061538 /nfs/dbraw/zinc/06/15/38/329061538.db2.gz QIMVNVRKQCLLME-LBPRGKRZSA-N 0 1 263.768 4.401 10 0 CIAEMN Cc1ccc(CN[C@H](C)c2ccc(Cl)s2)c(C)n1 ZINC000187495522 329358180 /nfs/dbraw/zinc/35/81/80/329358180.db2.gz RMXPBKRDHGGKSY-LLVKDONJSA-N 0 1 280.824 4.264 10 0 CIAEMN CC(C)n1cncc1CN[C@H](C)c1ccc(Cl)s1 ZINC000090207992 330391431 /nfs/dbraw/zinc/39/14/31/330391431.db2.gz WBCCICRLWBQGES-SNVBAGLBSA-N 0 1 283.828 4.030 10 0 CIAEMN c1coc([C@@H](NC[C@H]2CCCCS2)c2ccccc2)c1 ZINC000156335787 330729540 /nfs/dbraw/zinc/72/95/40/330729540.db2.gz ZQDSBDXALHMSIL-WBVHZDCISA-N 0 1 287.428 4.244 10 0 CIAEMN CC[C@H](CN[C@@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789845 333061335 /nfs/dbraw/zinc/06/13/35/333061335.db2.gz DJRSACFLIBWFLL-DTWKUNHWSA-N 0 1 294.197 4.208 10 0 CIAEMN C[C@H](N[C@@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000222225648 333177372 /nfs/dbraw/zinc/17/73/72/333177372.db2.gz TZMCBPDJNCNIAV-JGVFFNPUSA-N 0 1 294.222 4.289 10 0 CIAEMN Cc1cnc([C@@H](C)NC2CC(c3ccc(Cl)cc3)C2)o1 ZINC000231529295 333325882 /nfs/dbraw/zinc/32/58/82/333325882.db2.gz GDJBUBNWSVKOOW-NUYPLMSZSA-N 0 1 290.794 4.233 10 0 CIAEMN Cc1cc(Cl)cc(CN[C@H]2CCOc3ccccc32)c1 ZINC000339170671 335142176 /nfs/dbraw/zinc/14/21/76/335142176.db2.gz JROKBMQPZGNWRX-INIZCTEOSA-N 0 1 287.790 4.262 10 0 CIAEMN C[C@H](N[C@H]1CCCCc2ccccc21)c1nccs1 ZINC000080266421 334168834 /nfs/dbraw/zinc/16/88/34/334168834.db2.gz JVUWXAILFHXXLY-WFASDCNBSA-N 0 1 272.417 4.261 10 0 CIAEMN C[C@H](c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000246872033 334270848 /nfs/dbraw/zinc/27/08/48/334270848.db2.gz FOFVQYXFPLWDJZ-DOMZBBRYSA-N 0 1 259.324 4.317 10 0 CIAEMN CCCNc1ccc(Cl)c(CN(CCC)C(C)C)n1 ZINC000061631095 520162162 /nfs/dbraw/zinc/16/21/62/520162162.db2.gz HEFQWXSVTWZMLS-UHFFFAOYSA-N 0 1 283.847 4.177 10 0 CIAEMN CCCCCC[C@H](C)OCc1csc(CNCC)n1 ZINC000052630696 520131796 /nfs/dbraw/zinc/13/17/96/520131796.db2.gz JBHBQZYLTFVXTB-ZDUSSCGKSA-N 0 1 284.469 4.128 10 0 CIAEMN CCN[C@H](c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000062786360 520209516 /nfs/dbraw/zinc/20/95/16/520209516.db2.gz STXCIJHCDCQWLF-OAHLLOKOSA-N 0 1 281.733 4.317 10 0 CIAEMN CCCc1nc2cc(N)ccc2n1[C@H](C)[C@H](C)CC ZINC000052853950 521542363 /nfs/dbraw/zinc/54/23/63/521542363.db2.gz LEVFJTIDDQOHTE-VXGBXAGGSA-N 0 1 259.397 4.178 10 0 CIAEMN CCC1(CC)CSC(N[C@@H](C)c2ccsc2)=N1 ZINC000061365273 521690837 /nfs/dbraw/zinc/69/08/37/521690837.db2.gz ARMGDYJALLWRKP-JTQLQIEISA-N 0 1 268.451 4.060 10 0 CIAEMN COc1cc(CN[C@H](C)c2ccc(C)o2)ccc1SC ZINC000069159325 522484771 /nfs/dbraw/zinc/48/47/71/522484771.db2.gz YABFPTKVURFBLO-GFCCVEGCSA-N 0 1 291.416 4.169 10 0 CIAEMN CN[C@H](c1nc(C(C)C)cs1)c1ccc(F)cc1C ZINC000050580409 522487396 /nfs/dbraw/zinc/48/73/96/522487396.db2.gz DXCMNHPSKFIFLZ-AWEZNQCLSA-N 0 1 278.396 4.023 10 0 CIAEMN Cc1cc(C)cc([C@@H](N)c2cc3ccccc3o2)c1 ZINC000062797510 524464468 /nfs/dbraw/zinc/46/44/68/524464468.db2.gz BUTMLGXULWQOIG-QGZVFWFLSA-N 0 1 251.329 4.098 10 0 CIAEMN COc1ccc([C@@H](C)N[C@@H](C)c2cccs2)c(F)c1 ZINC000037235218 525160268 /nfs/dbraw/zinc/16/02/68/525160268.db2.gz LMOAEHAMKYIOKE-MNOVXSKESA-N 0 1 279.380 4.308 10 0 CIAEMN C[C@H](NCc1cncs1)c1ccc(C(C)(C)C)cc1 ZINC000054770580 525479645 /nfs/dbraw/zinc/47/96/45/525479645.db2.gz UWEIEMAZKZHURS-LBPRGKRZSA-N 0 1 274.433 4.291 10 0 CIAEMN C[C@@H](NCc1ccc[nH]1)c1ccc(Cl)cc1Cl ZINC000048436288 525530417 /nfs/dbraw/zinc/53/04/17/525530417.db2.gz SPUPXFQYSHKKQB-SECBINFHSA-N 0 1 269.175 4.172 10 0 CIAEMN C[C@@H](NCc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059180793 525550151 /nfs/dbraw/zinc/55/01/51/525550151.db2.gz BYDUELCPJXBKOT-SNVBAGLBSA-N 0 1 280.462 4.353 10 0 CIAEMN Cc1cc2oc(CN)c(C(C)C)c2c(C)c1Cl ZINC000052069009 525693139 /nfs/dbraw/zinc/69/31/39/525693139.db2.gz SDQFEURKJBIDNR-UHFFFAOYSA-N 0 1 251.757 4.285 10 0 CIAEMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc(Cl)cn1 ZINC000274886492 525693103 /nfs/dbraw/zinc/69/31/03/525693103.db2.gz IPIJKDQKZLETPV-BZNIZROVSA-N 0 1 272.779 4.073 10 0 CIAEMN Cc1ccc([C@@H](C)NC2=N[C@H](CC(C)C)CS2)s1 ZINC000049185394 525721653 /nfs/dbraw/zinc/72/16/53/525721653.db2.gz LFNLFJLLORYVDF-VXGBXAGGSA-N 0 1 282.478 4.225 10 0 CIAEMN Cc1ccc([C@@H](C)NCc2ccc(Cl)c(F)c2)o1 ZINC000043389250 525732881 /nfs/dbraw/zinc/73/28/81/525732881.db2.gz XRTYPBWIODPVIS-SNVBAGLBSA-N 0 1 267.731 4.231 10 0 CIAEMN Cc1ccc([C@H](C)NC2=N[C@@H](CC(C)C)CS2)s1 ZINC000049185397 525914900 /nfs/dbraw/zinc/91/49/00/525914900.db2.gz LFNLFJLLORYVDF-RYUDHWBXSA-N 0 1 282.478 4.225 10 0 CIAEMN [O-]c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1Cl ZINC000061360388 526345578 /nfs/dbraw/zinc/34/55/78/526345578.db2.gz KZRIVPCOCLKPFK-CYBMUJFWSA-N 0 1 293.819 4.274 10 0 CIAEMN Cc1csc(CN[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000126259640 526362089 /nfs/dbraw/zinc/36/20/89/526362089.db2.gz ONMKRNFQRXZASH-ABAIWWIYSA-N 0 1 272.417 4.180 10 0 CIAEMN CC(C)(C)[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000019433208 567211582 /nfs/dbraw/zinc/21/15/82/567211582.db2.gz BNSBPWYLDVXTMV-GFCCVEGCSA-N 0 1 282.181 4.241 10 0 CIAEMN