smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cccc(F)n1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000792995132 1078043778 /nfs/dbraw/zinc/04/37/78/1078043778.db2.gz HBJZNXRVOFRSFM-LBPRGKRZSA-N 0 0 408.380 2.546 20 10 HFCDRN CC[C@H](NC(=O)NCc1ccc(OC)cc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000792998791 1078044875 /nfs/dbraw/zinc/04/48/75/1078044875.db2.gz CFFOHGZNEPDDMW-UNMCSNQZSA-N 0 0 413.518 2.880 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc(Br)n1 ZINC000793000162 1078045056 /nfs/dbraw/zinc/04/50/56/1078045056.db2.gz BWTKTHZMGFDKJS-UHFFFAOYSA-N 0 0 401.311 2.538 20 10 HFCDRN O=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(O)c1O ZINC000790539910 1078046164 /nfs/dbraw/zinc/04/61/64/1078046164.db2.gz APEAXYFJTKACKY-UHFFFAOYSA-N 0 0 422.460 2.889 20 10 HFCDRN CCOC(=O)C1(COC)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000793040194 1078053890 /nfs/dbraw/zinc/05/38/90/1078053890.db2.gz FGTBTTTZBLTIJE-UHFFFAOYSA-N 0 0 401.507 2.564 20 10 HFCDRN O=C(NCc1cccc(Br)c1O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000793061618 1078069887 /nfs/dbraw/zinc/06/98/87/1078069887.db2.gz JHWPTFUBKVLXBV-UHFFFAOYSA-N 0 0 424.198 2.885 20 10 HFCDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])c2)C1=O ZINC000790611616 1078075867 /nfs/dbraw/zinc/07/58/67/1078075867.db2.gz SXZZMHPBCNUBHW-NRFANRHFSA-N 0 0 410.430 2.815 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)c(C)n1-c1ccccc1 ZINC000790691258 1078097736 /nfs/dbraw/zinc/09/77/36/1078097736.db2.gz UMJVYZWWUIQOIE-DEOSSOPVSA-N 0 0 422.481 2.741 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(F)ccc3-n3cccn3)CC2)cc1 ZINC000793247422 1078109486 /nfs/dbraw/zinc/10/94/86/1078109486.db2.gz OCXURUKCYPHMRE-UHFFFAOYSA-N 0 0 423.492 2.572 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCN(C(C)=O)C1 ZINC000793312240 1078133288 /nfs/dbraw/zinc/13/32/88/1078133288.db2.gz MQMUYAPKVPXLKZ-CQSZACIVSA-N 0 0 412.328 2.945 20 10 HFCDRN COc1ccc(Cl)cc1NC(=S)NNc1ccccc1S(=O)(=O)N(C)C ZINC000793328820 1078138671 /nfs/dbraw/zinc/13/86/71/1078138671.db2.gz ZTEUBSWRCAROCP-UHFFFAOYSA-N 0 0 414.940 2.912 20 10 HFCDRN CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH]cn2)NC(=O)OC(C)(C)C)cc1 ZINC000793573849 1078225643 /nfs/dbraw/zinc/22/56/43/1078225643.db2.gz QPUHNSLYVSHGSO-SFHVURJKSA-N 0 0 401.511 2.791 20 10 HFCDRN CCOC(=O)C1CCC(NC(=O)C(=O)N(C)Cc2ccc(N(CC)CC)cc2)CC1 ZINC000793676233 1078250572 /nfs/dbraw/zinc/25/05/72/1078250572.db2.gz PHAQPQHXNFJXIA-UHFFFAOYSA-N 0 0 417.550 2.729 20 10 HFCDRN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000793671854 1078248108 /nfs/dbraw/zinc/24/81/08/1078248108.db2.gz HZLPFVIUFZFQPP-WIYYLYMNSA-N 0 0 410.514 2.956 20 10 HFCDRN COc1cccc(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1O ZINC000793689906 1078249826 /nfs/dbraw/zinc/24/98/26/1078249826.db2.gz PXRSABPVWBZBCG-ROUUACIJSA-N 0 0 421.453 2.609 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000793782533 1078292395 /nfs/dbraw/zinc/29/23/95/1078292395.db2.gz JTCGWYLBIFGIKH-LEWJYISDSA-N 0 0 413.493 2.853 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000793786878 1078295899 /nfs/dbraw/zinc/29/58/99/1078295899.db2.gz VLLRHOKMMBGQPJ-HZPDHXFCSA-N 0 0 423.535 2.917 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1F ZINC000793780476 1078309842 /nfs/dbraw/zinc/30/98/42/1078309842.db2.gz DQHINVMMNVTZOC-UXHICEINSA-N 0 0 417.456 2.684 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000793866106 1078327820 /nfs/dbraw/zinc/32/78/20/1078327820.db2.gz XDPJXOLXECWNIR-SJORKVTESA-N 0 0 412.509 2.712 20 10 HFCDRN Cc1occc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793914995 1078337065 /nfs/dbraw/zinc/33/70/65/1078337065.db2.gz QVIXYYUDLVIZKB-HNNXBMFYSA-N 0 0 407.417 2.591 20 10 HFCDRN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000793939142 1078352456 /nfs/dbraw/zinc/35/24/56/1078352456.db2.gz RHTYJIXNWFCFRD-SJORKVTESA-N 0 0 413.493 2.759 20 10 HFCDRN CCOc1cc(N2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000794041185 1078364350 /nfs/dbraw/zinc/36/43/50/1078364350.db2.gz FTJDPVNDRZZAAH-YWEYNIOJSA-N 0 0 413.430 2.767 20 10 HFCDRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)c2)n1 ZINC000794265623 1078396321 /nfs/dbraw/zinc/39/63/21/1078396321.db2.gz MNRLANGNGFQTHC-CLFYSBASSA-N 0 0 407.426 2.790 20 10 HFCDRN COc1ccc(CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)c(O)c1 ZINC000794379244 1078431538 /nfs/dbraw/zinc/43/15/38/1078431538.db2.gz MZKCTQWBQGKTKG-NDENLUEZSA-N 0 0 403.438 2.883 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(O)c1 ZINC000794380760 1078431568 /nfs/dbraw/zinc/43/15/68/1078431568.db2.gz BMQVAEQXOPMRMI-HNNXBMFYSA-N 0 0 418.515 2.894 20 10 HFCDRN COc1ccc(-c2nnc(SCC(=O)NCc3ccc(OC)cc3O)o2)cc1 ZINC000794381679 1078432252 /nfs/dbraw/zinc/43/22/52/1078432252.db2.gz OAYDYMVQQFDXIW-UHFFFAOYSA-N 0 0 401.444 2.868 20 10 HFCDRN COc1ccc(CNC(=O)CSc2nnc(C)n2-c2ccccc2OC)c(O)c1 ZINC000794387638 1078433409 /nfs/dbraw/zinc/43/34/09/1078433409.db2.gz NCHOBCJRWLUVHD-UHFFFAOYSA-N 0 0 414.487 2.707 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2ccc(OC)c(F)c2)cc1F ZINC000804651662 1078480124 /nfs/dbraw/zinc/48/01/24/1078480124.db2.gz QQPXQCCQEYTNEF-UHFFFAOYSA-N 0 0 419.472 2.795 20 10 HFCDRN Cc1cc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000804693272 1078532430 /nfs/dbraw/zinc/53/24/30/1078532430.db2.gz TYNFIUMTBRREBQ-SFHVURJKSA-N 0 0 407.511 2.777 20 10 HFCDRN CC(=O)N1C[C@@H](C(=O)NCc2cc(Br)ccc2O)Oc2ccccc21 ZINC000804739759 1078576172 /nfs/dbraw/zinc/57/61/72/1078576172.db2.gz RPBBULNYBXVOSY-KRWDZBQOSA-N 0 0 405.248 2.585 20 10 HFCDRN Cc1cc(C(=O)NCc2cc(Br)ccc2O)ccc1N1CCNC1=O ZINC000804738830 1078574865 /nfs/dbraw/zinc/57/48/65/1078574865.db2.gz GDHATFUEDBUZFR-UHFFFAOYSA-N 0 0 404.264 2.923 20 10 HFCDRN COc1cccc(C2=NO[C@@H](C(=O)NCc3cc(Br)ccc3O)C2)c1 ZINC000804740560 1078575302 /nfs/dbraw/zinc/57/53/02/1078575302.db2.gz JLAKEWWOMPZIDN-QGZVFWFLSA-N 0 0 405.248 2.973 20 10 HFCDRN Cc1cc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000804554781 1078584038 /nfs/dbraw/zinc/58/40/38/1078584038.db2.gz BNRCDGCMVAHFIE-FDDCHVKYSA-N 0 0 408.502 2.995 20 10 HFCDRN O=C(CCn1cnc2ccccc2c1=O)NCc1cc(Br)ccc1O ZINC000804733840 1078593094 /nfs/dbraw/zinc/59/30/94/1078593094.db2.gz OKWANQHSPGJXKF-UHFFFAOYSA-N 0 0 402.248 2.571 20 10 HFCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000804736254 1078594343 /nfs/dbraw/zinc/59/43/43/1078594343.db2.gz PUQYMPCRHHKDNM-NSHDSACASA-N 0 0 412.305 2.978 20 10 HFCDRN NC(=O)c1cn(CC(=O)NCc2cc(Br)ccc2O)c2ccccc12 ZINC000804737391 1078595093 /nfs/dbraw/zinc/59/50/93/1078595093.db2.gz IJMAHOQLZCHEFL-UHFFFAOYSA-N 0 0 402.248 2.525 20 10 HFCDRN CCOc1ccc(C(=O)NCC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804737263 1078595153 /nfs/dbraw/zinc/59/51/53/1078595153.db2.gz MFQPECHPCPJRSO-UHFFFAOYSA-N 0 0 407.264 2.600 20 10 HFCDRN CCn1c2ccccc2n(CC(=O)NCc2cc(Br)ccc2O)c1=O ZINC000804737042 1078595675 /nfs/dbraw/zinc/59/56/75/1078595675.db2.gz BFVHYIAFTBZJDH-UHFFFAOYSA-N 0 0 404.264 2.607 20 10 HFCDRN Cc1cnn(-c2c(C(=O)NCc3cc(Br)ccc3O)c(C)nn2C)c1 ZINC000804738232 1078596476 /nfs/dbraw/zinc/59/64/76/1078596476.db2.gz IHNWYAWHFRKXGV-UHFFFAOYSA-N 0 0 404.268 2.621 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000804738122 1078596826 /nfs/dbraw/zinc/59/68/26/1078596826.db2.gz CNYGFUYYWVFIBT-HNNXBMFYSA-N 0 0 403.276 2.820 20 10 HFCDRN O=C(COc1ccc2ccc(=O)oc2c1)NCc1cc(Br)ccc1O ZINC000804737961 1078597137 /nfs/dbraw/zinc/59/71/37/1078597137.db2.gz WYDXRTBHKIHGQL-UHFFFAOYSA-N 0 0 404.216 2.956 20 10 HFCDRN Cn1c2cc(NCc3cc(Br)ccc3O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804827013 1078666810 /nfs/dbraw/zinc/66/68/10/1078666810.db2.gz JFGRPCALYOOVOC-UHFFFAOYSA-N 0 0 407.224 2.865 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCOCC3(CCCC3)C2)cc1F ZINC000804851717 1078720359 /nfs/dbraw/zinc/72/03/59/1078720359.db2.gz MEIQXZVSLNHTLP-UHFFFAOYSA-N 0 0 405.514 2.707 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([C@@H]3CCCO3)CC2)cc1F ZINC000804852292 1078722296 /nfs/dbraw/zinc/72/22/96/1078722296.db2.gz GEKNZCQGTSYRQX-FQEVSTJZSA-N 0 0 405.514 2.706 20 10 HFCDRN COCC(=O)Nc1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804907404 1078729886 /nfs/dbraw/zinc/72/98/86/1078729886.db2.gz ZACIQUHQILXYKV-UHFFFAOYSA-N 0 0 422.279 2.739 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC001129991298 1078756686 /nfs/dbraw/zinc/75/66/86/1078756686.db2.gz NFUCJGBPLPLVKZ-PMACEKPBSA-N 0 0 407.514 2.686 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)C3=NN(c4ccccc4)[C@H](C(C)=O)C3)C2)cc1 ZINC001129991799 1078757513 /nfs/dbraw/zinc/75/75/13/1078757513.db2.gz YFNSAEUHOLHMFE-JPYJTQIMSA-N 0 0 420.513 2.862 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001129992918 1078760158 /nfs/dbraw/zinc/76/01/58/1078760158.db2.gz BHRBLCPTSMOKOE-AZUAARDMSA-N 0 0 407.514 2.800 20 10 HFCDRN CCC1(CO)CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805023986 1078834684 /nfs/dbraw/zinc/83/46/84/1078834684.db2.gz DSLQWWVQYPSGQZ-UHFFFAOYSA-N 0 0 401.551 2.550 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N(CCCO)Cc3ccccc3)cc2)CC1 ZINC000805023448 1078835414 /nfs/dbraw/zinc/83/54/14/1078835414.db2.gz UYZGFQHMYMGVDR-UHFFFAOYSA-N 0 0 423.557 2.950 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCc4ccc(O)cc4C3)cc2)CC1 ZINC000805023093 1078835465 /nfs/dbraw/zinc/83/54/65/1078835465.db2.gz NYLZCXRLNXPVSU-UHFFFAOYSA-N 0 0 407.514 2.830 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)NC1CCN(CC(F)(F)F)CC1 ZINC000805011740 1078855474 /nfs/dbraw/zinc/85/54/74/1078855474.db2.gz BSVQONNLMBKSNA-UHFFFAOYSA-N 0 0 410.234 2.981 20 10 HFCDRN Cc1noc(C)c1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000805165675 1078955773 /nfs/dbraw/zinc/95/57/73/1078955773.db2.gz QLBQCJXPEYGJGC-UHFFFAOYSA-N 0 0 424.501 2.838 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC001130185259 1079077748 /nfs/dbraw/zinc/07/77/48/1079077748.db2.gz CHOBOVVRWOKJQO-HNNXBMFYSA-N 0 0 400.475 2.977 20 10 HFCDRN COc1cccc(N2CCC[C@H](NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000805474113 1079090447 /nfs/dbraw/zinc/09/04/47/1079090447.db2.gz NRTGCOPCBPYIJB-IBGZPJMESA-N 0 0 424.545 2.505 20 10 HFCDRN CCOC1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000805640439 1079193151 /nfs/dbraw/zinc/19/31/51/1079193151.db2.gz RUKVDQZSNDKNME-UHFFFAOYSA-N 0 0 407.422 2.759 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)NCCn3cc(Br)cn3)CC2)cc1 ZINC000805839656 1079277306 /nfs/dbraw/zinc/27/73/06/1079277306.db2.gz LFLDYLOTYUOMKJ-UHFFFAOYSA-N 0 0 422.327 2.622 20 10 HFCDRN Cc1cc(C(=O)CN2CC[C@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000805807859 1079284216 /nfs/dbraw/zinc/28/42/16/1079284216.db2.gz OBVGHKMHSHEEGM-SFHVURJKSA-N 0 0 423.513 2.950 20 10 HFCDRN O=C(NC[C@@H]1CCc2ccccc21)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000805953020 1079343755 /nfs/dbraw/zinc/34/37/55/1079343755.db2.gz ZWFZBWWMEAVCEF-AZUAARDMSA-N 0 0 408.498 2.746 20 10 HFCDRN CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806142584 1079465844 /nfs/dbraw/zinc/46/58/44/1079465844.db2.gz FBXYXHIXHGMNDA-AWEZNQCLSA-N 0 0 408.307 2.847 20 10 HFCDRN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332691 1076744996 /nfs/dbraw/zinc/74/49/96/1076744996.db2.gz UGBTWRIAAGAWFW-YHEJKZAPSA-N 0 0 409.486 2.591 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCc3c(C)cc(C)cc3C)CC2)cc1 ZINC000787306905 1076753514 /nfs/dbraw/zinc/75/35/14/1076753514.db2.gz QNBOJTZEILOYFS-UHFFFAOYSA-N 0 0 409.530 2.976 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@](C)(O)[C@H](C)c3ccccc3)cc2)CC1 ZINC000787321951 1076763795 /nfs/dbraw/zinc/76/37/95/1076763795.db2.gz KQUDMEWJYAWUNO-HOYKHHGWSA-N 0 0 409.530 2.526 20 10 HFCDRN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000787376677 1076779135 /nfs/dbraw/zinc/77/91/35/1076779135.db2.gz BAAFPYASVAKVEF-UHFFFAOYSA-N 0 0 421.541 2.881 20 10 HFCDRN O=C(NCc1ncnn1-c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000787347874 1076789060 /nfs/dbraw/zinc/78/90/60/1076789060.db2.gz KHDFPOGKMZWVCH-LJQANCHMSA-N 0 0 407.474 2.864 20 10 HFCDRN COc1cccc(OC)c1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000772701323 1076806080 /nfs/dbraw/zinc/80/60/80/1076806080.db2.gz ZFOHMAVZQDGUDP-INIZCTEOSA-N 0 0 407.488 2.779 20 10 HFCDRN O=S(=O)(c1cnn(CC(F)(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000772700958 1076807264 /nfs/dbraw/zinc/80/72/64/1076807264.db2.gz IDYPZDHVXWFRBX-CQSZACIVSA-N 0 0 419.425 2.521 20 10 HFCDRN COc1ccc(O)c(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c1 ZINC000787448207 1076814879 /nfs/dbraw/zinc/81/48/79/1076814879.db2.gz BVPOUFVFHJKIGG-ZDUSSCGKSA-N 0 0 416.478 2.778 20 10 HFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Br)nc1 ZINC000746685951 1076821738 /nfs/dbraw/zinc/82/17/38/1076821738.db2.gz LNYKIOGDMPWBHO-UHFFFAOYSA-N 0 0 408.271 2.874 20 10 HFCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000787500318 1076827173 /nfs/dbraw/zinc/82/71/73/1076827173.db2.gz TVMNAYRXUDKUDM-UHFFFAOYSA-N 0 0 421.501 2.768 20 10 HFCDRN COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)cc(OC)c3C)CC2)cc1F ZINC000787514267 1076831391 /nfs/dbraw/zinc/83/13/91/1076831391.db2.gz LWPLCWASZNNPJI-UHFFFAOYSA-N 0 0 415.465 2.747 20 10 HFCDRN NS(=O)(=O)c1cc(Cl)cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000787731437 1076933478 /nfs/dbraw/zinc/93/34/78/1076933478.db2.gz RXGQOHDXMABUDG-QGZVFWFLSA-N 0 0 410.923 2.874 20 10 HFCDRN Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000787877528 1076972188 /nfs/dbraw/zinc/97/21/88/1076972188.db2.gz BCFUROIQZYYNGP-CQSZACIVSA-N 0 0 402.882 2.696 20 10 HFCDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NCc1cc(OC)ccc1O ZINC000787883998 1076977271 /nfs/dbraw/zinc/97/72/71/1076977271.db2.gz BWENHIMEWXVJBR-LBPRGKRZSA-N 0 0 422.865 2.723 20 10 HFCDRN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000787887179 1076978286 /nfs/dbraw/zinc/97/82/86/1076978286.db2.gz UOBJQUWFWURNGP-LBPRGKRZSA-N 0 0 422.865 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COCc1nc([C@@H]2COCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000793063369 1078060066 /nfs/dbraw/zinc/06/00/66/1078060066.db2.gz MZJBPOMKCPMJDC-HNNXBMFYSA-N 0 0 400.401 2.874 20 10 HFCDRN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C(=O)OC)C1 ZINC000793065292 1078060604 /nfs/dbraw/zinc/06/06/04/1078060604.db2.gz JHHKXDYKPRIZPJ-LRDDRELGSA-N 0 0 402.413 2.698 20 10 HFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(N2CCC2=O)c1 ZINC000790578330 1078067259 /nfs/dbraw/zinc/06/72/59/1078067259.db2.gz DCULXCYGWMHZHD-UHFFFAOYSA-N 0 0 412.465 2.845 20 10 HFCDRN CN(C)c1ccc(CNc2cccc(C(=O)N(C)CC(N)=O)c2)c(C(F)(F)F)c1 ZINC000790638303 1078071623 /nfs/dbraw/zinc/07/16/23/1078071623.db2.gz YTQWCDLXGCTTGT-UHFFFAOYSA-N 0 0 408.424 2.941 20 10 HFCDRN O=C1/C(=C/c2ccnn2-c2ccccc2)SC(=S)N1CCCN1CCOCC1 ZINC000790626779 1078081658 /nfs/dbraw/zinc/08/16/58/1078081658.db2.gz AZLLCYALQIVKTE-SDXDJHTJSA-N 0 0 414.556 2.796 20 10 HFCDRN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793119831 1078084233 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O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCn2cncc2C1 ZINC000793530380 1078212460 /nfs/dbraw/zinc/21/24/60/1078212460.db2.gz NNAHOEJMVPFWMM-DHDCSXOGSA-N 0 0 418.569 2.968 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ccc21 ZINC000793625063 1078231277 /nfs/dbraw/zinc/23/12/77/1078231277.db2.gz OSKXMTMHHHURAX-VXKWHMMOSA-N 0 0 407.514 2.722 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)cc1F ZINC000793632844 1078234996 /nfs/dbraw/zinc/23/49/96/1078234996.db2.gz QQAHXZKJZZNIDB-HNNXBMFYSA-N 0 0 401.482 2.658 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1 ZINC000793781188 1078292415 /nfs/dbraw/zinc/29/24/15/1078292415.db2.gz GENKRCQFHRHPNW-SFTDATJTSA-N 0 0 413.493 2.887 20 10 HFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000793771295 1078307055 /nfs/dbraw/zinc/30/70/55/1078307055.db2.gz GHHRYHWKYZIYAV-UHFFFAOYSA-N 0 0 422.909 2.632 20 10 HFCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793825291 1078318198 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HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2ccc(C)c(OC)c2)cc1F ZINC000804852267 1078721790 /nfs/dbraw/zinc/72/17/90/1078721790.db2.gz FMJUZHYOSDSCAJ-UHFFFAOYSA-N 0 0 415.509 2.964 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2c2ccccc2)cc1F ZINC000804852084 1078723245 /nfs/dbraw/zinc/72/32/45/1078723245.db2.gz YPGQWEJNPMBUGP-OAQYLSRUSA-N 0 0 413.493 2.888 20 10 HFCDRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)C12CCC2 ZINC000804853099 1078724830 /nfs/dbraw/zinc/72/48/30/1078724830.db2.gz SXTAGJCQWOZHJR-RTBURBONSA-N 0 0 405.514 2.752 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC23CCOCC3)cc1F ZINC000804852951 1078725302 /nfs/dbraw/zinc/72/53/02/1078725302.db2.gz JIVCQXFJEYGRDR-LJQANCHMSA-N 0 0 405.514 2.754 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cc(F)cc4c3OCOC4)C2)cc1 ZINC001129990466 1078756202 /nfs/dbraw/zinc/75/62/02/1078756202.db2.gz CEZIMYOAFTUHDR-HNNXBMFYSA-N 0 0 400.450 2.886 20 10 HFCDRN O=C(NCCOc1ccc2c(c1)OCO2)NCc1cc(Br)ccc1O ZINC000804971771 1078807325 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/nfs/dbraw/zinc/72/73/32/1079727332.db2.gz JJLPVVNMHFKXID-GOSISDBHSA-N 0 0 403.458 2.525 20 10 HFCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000806458135 1079729345 /nfs/dbraw/zinc/72/93/45/1079729345.db2.gz VPZZNUZNHLEQFS-MLGOLLRUSA-N 0 0 405.392 2.524 20 10 HFCDRN Cc1noc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000806457461 1079730758 /nfs/dbraw/zinc/73/07/58/1079730758.db2.gz MMYIJCZJVLLVIP-CHWSQXEVSA-N 0 0 405.474 2.865 20 10 HFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2)C1 ZINC000806493735 1079745089 /nfs/dbraw/zinc/74/50/89/1079745089.db2.gz CAYDCURHLYVVQH-YLJYHZDGSA-N 0 0 410.522 2.548 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC=C(c4ccncc4)C3)cc2)C1 ZINC000806495672 1079746918 /nfs/dbraw/zinc/74/69/18/1079746918.db2.gz KIGWHTGYCLZXLP-NRFANRHFSA-N 0 0 419.529 2.782 20 10 HFCDRN CN(C)S(=O)(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1F ZINC000806543265 1079780943 /nfs/dbraw/zinc/78/09/43/1079780943.db2.gz PHVULEUIFGEREL-UHFFFAOYSA-N 0 0 418.494 2.774 20 10 HFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000806585721 1079861221 /nfs/dbraw/zinc/86/12/21/1079861221.db2.gz IMDNYMBYHNQPFN-AWEZNQCLSA-N 0 0 423.560 2.715 20 10 HFCDRN Cc1cnccc1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000806585681 1079861890 /nfs/dbraw/zinc/86/18/90/1079861890.db2.gz ZAOARFDCNXOJIB-UHFFFAOYSA-N 0 0 420.513 2.937 20 10 HFCDRN COCCNC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2O)c1 ZINC000806628972 1079885756 /nfs/dbraw/zinc/88/57/56/1079885756.db2.gz PIGDPWIWHWSKNT-UHFFFAOYSA-N 0 0 422.279 2.853 20 10 HFCDRN C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(N(C)C)cc1 ZINC000806635247 1079891582 /nfs/dbraw/zinc/89/15/82/1079891582.db2.gz PRVWBTGCNVRPAE-IRXDYDNUSA-N 0 0 405.502 2.993 20 10 HFCDRN Nc1nc(C2CC2)ncc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806747055 1080002570 /nfs/dbraw/zinc/00/25/70/1080002570.db2.gz YFYDGHAZGRCJEX-UHFFFAOYSA-N 0 0 403.433 2.936 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)Nc3cccc(SC)n3)CC2)cc1 ZINC000806780203 1080005657 /nfs/dbraw/zinc/00/56/57/1080005657.db2.gz JNJQYNFJXQNNLY-UHFFFAOYSA-N 0 0 401.536 2.756 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000806795093 1080015161 /nfs/dbraw/zinc/01/51/61/1080015161.db2.gz XQGBNMCPJWYTIF-CQSZACIVSA-N 0 0 422.254 2.899 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000806808825 1080023793 /nfs/dbraw/zinc/02/37/93/1080023793.db2.gz OCXMJQYRMBUEIN-CQSZACIVSA-N 0 0 413.312 2.577 20 10 HFCDRN COC[C@@]1(CNC(=O)NCc2cc(OC)ccc2O)CCCN1C(=O)OC(C)(C)C ZINC000806811708 1080024131 /nfs/dbraw/zinc/02/41/31/1080024131.db2.gz WQPRSXKXLQCIOE-NRFANRHFSA-N 0 0 423.510 2.616 20 10 HFCDRN CN(C)c1ncnc2c1cc(C(=O)NCc1ccc(N3CCSCC3)cc1)n2C ZINC000747358723 1080052371 /nfs/dbraw/zinc/05/23/71/1080052371.db2.gz AYCNSJZPLSCXBO-UHFFFAOYSA-N 0 0 410.547 2.518 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2F)C[C@H](C)O1 ZINC000747361582 1080057921 /nfs/dbraw/zinc/05/79/21/1080057921.db2.gz TVBPYYBULOXKBT-YRNRMSPPSA-N 0 0 413.497 2.515 20 10 HFCDRN COc1ccc2cc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000806862269 1080064266 /nfs/dbraw/zinc/06/42/66/1080064266.db2.gz JXQFADMJABNFOL-UHFFFAOYSA-N 0 0 419.481 2.940 20 10 HFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000806886308 1080083859 /nfs/dbraw/zinc/08/38/59/1080083859.db2.gz OAKWKTXGWKZWFG-ZDUSSCGKSA-N 0 0 400.479 2.947 20 10 HFCDRN C[C@H](c1ccccc1)N(C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2)c1ccc(N)cc1 ZINC000807001670 1080179175 /nfs/dbraw/zinc/17/91/75/1080179175.db2.gz BNLIRDIUBYZPBL-OAHLLOKOSA-N 0 0 414.469 2.657 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000807022437 1080216910 /nfs/dbraw/zinc/21/69/10/1080216910.db2.gz FZUIIGCIBDQSRB-UHFFFAOYSA-N 0 0 421.295 2.675 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000807098550 1080277145 /nfs/dbraw/zinc/27/71/45/1080277145.db2.gz XTNOEBQUXWKIRP-UHFFFAOYSA-N 0 0 408.296 2.691 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000807099005 1080277223 /nfs/dbraw/zinc/27/72/23/1080277223.db2.gz IDTTUWBHDWAWMH-QHCPKHFHSA-N 0 0 423.557 2.966 20 10 HFCDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807101583 1080281027 /nfs/dbraw/zinc/28/10/27/1080281027.db2.gz ADWACOPOPORODI-LJQANCHMSA-N 0 0 409.530 2.922 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000807101388 1080281041 /nfs/dbraw/zinc/28/10/41/1080281041.db2.gz XHKZXOIQPISNST-UHFFFAOYSA-N 0 0 411.550 2.593 20 10 HFCDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000807139748 1080299658 /nfs/dbraw/zinc/29/96/58/1080299658.db2.gz HKXZUWMTVGYVEM-DLBZAZTESA-N 0 0 424.611 2.905 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000807176191 1080322984 /nfs/dbraw/zinc/32/29/84/1080322984.db2.gz NCQHLAFIFQWLFN-UHFFFAOYSA-N 0 0 417.456 2.736 20 10 HFCDRN C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CC1 ZINC000807210242 1080360505 /nfs/dbraw/zinc/36/05/05/1080360505.db2.gz WWHZMIORJDWSMO-SJORKVTESA-N 0 0 408.974 2.784 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000807287017 1080449520 /nfs/dbraw/zinc/44/95/20/1080449520.db2.gz GIWJTNKKYGKIGJ-FQEVSTJZSA-N 0 0 407.489 2.909 20 10 HFCDRN COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807288257 1080450827 /nfs/dbraw/zinc/45/08/27/1080450827.db2.gz UPOUIRFZEWDKRV-JOCHJYFZSA-N 0 0 419.525 2.921 20 10 HFCDRN CN(CCOc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807288911 1080454077 /nfs/dbraw/zinc/45/40/77/1080454077.db2.gz CMBGNKILNHNYCK-UHFFFAOYSA-N 0 0 413.905 2.870 20 10 HFCDRN COc1cc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c2ccccc2n1 ZINC000807289985 1080455348 /nfs/dbraw/zinc/45/53/48/1080455348.db2.gz AKCTZLRGUVTLPW-UHFFFAOYSA-N 0 0 416.481 2.552 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000807289644 1080456017 /nfs/dbraw/zinc/45/60/17/1080456017.db2.gz CWSVPCHUHAKWAN-HTAPYJJXSA-N 0 0 423.488 2.807 20 10 HFCDRN COc1ccc(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000807289293 1080456515 /nfs/dbraw/zinc/45/65/15/1080456515.db2.gz PABIUUKZSPJROR-GOSISDBHSA-N 0 0 407.514 2.683 20 10 HFCDRN CN(Cc1nc2ccccc2s1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290586 1080478813 /nfs/dbraw/zinc/47/88/13/1080478813.db2.gz ZDBCGAGWYKXPHM-UHFFFAOYSA-N 0 0 406.511 2.947 20 10 HFCDRN CC(C)(C)c1nc(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cs1 ZINC000807291826 1080479322 /nfs/dbraw/zinc/47/93/22/1080479322.db2.gz OXPZEPBRLDVZMV-UHFFFAOYSA-N 0 0 412.559 2.792 20 10 HFCDRN CN(Cc1ccc(Br)o1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291445 1080480309 /nfs/dbraw/zinc/48/03/09/1080480309.db2.gz KRJGCNGQFFTTCI-UHFFFAOYSA-N 0 0 418.291 2.693 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000807313587 1080507036 /nfs/dbraw/zinc/50/70/36/1080507036.db2.gz KTWALSQEFGDXEJ-ZDUSSCGKSA-N 0 0 420.307 2.646 20 10 HFCDRN Cc1csc([C@@H](C)CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000807350366 1080557731 /nfs/dbraw/zinc/55/77/31/1080557731.db2.gz JELSAXXDYDCPEX-AWEZNQCLSA-N 0 0 400.548 2.928 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc2ccncc21 ZINC000807387009 1080582650 /nfs/dbraw/zinc/58/26/50/1080582650.db2.gz VAENBGGFZFASGA-UHFFFAOYSA-N 0 0 400.232 2.958 20 10 HFCDRN COC(=O)c1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1C ZINC000807386886 1080582901 /nfs/dbraw/zinc/58/29/01/1080582901.db2.gz ONJAOYBYGSQTNX-UHFFFAOYSA-N 0 0 421.247 2.505 20 10 HFCDRN COc1cc(C)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1F ZINC000807386761 1080583209 /nfs/dbraw/zinc/58/32/09/1080583209.db2.gz ICZKEQAXHZXNPA-UHFFFAOYSA-N 0 0 411.227 2.866 20 10 HFCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1C ZINC000807386946 1080583271 /nfs/dbraw/zinc/58/32/71/1080583271.db2.gz RNADRNFLGYVOMX-JTQLQIEISA-N 0 0 409.284 2.886 20 10 HFCDRN CC(C)Oc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000807386922 1080583288 /nfs/dbraw/zinc/58/32/88/1080583288.db2.gz QNNAZXQHSUGSHZ-UHFFFAOYSA-N 0 0 408.252 2.592 20 10 HFCDRN C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000807387515 1080584335 /nfs/dbraw/zinc/58/43/35/1080584335.db2.gz MCKOYYDVBXVITL-SNVBAGLBSA-N 0 0 407.268 2.577 20 10 HFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807460614 1080640185 /nfs/dbraw/zinc/64/01/85/1080640185.db2.gz VKYCZIJOACKYCA-KRWDZBQOSA-N 0 0 400.523 2.750 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)cc1 ZINC000807504518 1080705280 /nfs/dbraw/zinc/70/52/80/1080705280.db2.gz POMYXOBJEJFTEH-DEOSSOPVSA-N 0 0 411.546 2.905 20 10 HFCDRN COC[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000807550475 1080765853 /nfs/dbraw/zinc/76/58/53/1080765853.db2.gz HWGYATQPAXEBFR-NRFANRHFSA-N 0 0 407.511 2.950 20 10 HFCDRN COc1cccc(CNC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O ZINC000807574187 1080787282 /nfs/dbraw/zinc/78/72/82/1080787282.db2.gz MXVXVJLZCKMFHV-CYBMUJFWSA-N 0 0 403.401 2.534 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000807575518 1080787383 /nfs/dbraw/zinc/78/73/83/1080787383.db2.gz JRYPPGQCWJZGMA-UHFFFAOYSA-N 0 0 412.412 2.590 20 10 HFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC2(CCOCC2)O1 ZINC000790500438 1078046290 /nfs/dbraw/zinc/04/62/90/1078046290.db2.gz FSGISRJZSNARII-QGZVFWFLSA-N 0 0 405.564 2.719 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CO[C@@H]3CCCc4c[nH]nc43)cc2F)C[C@H](C)O1 ZINC000790509118 1078047710 /nfs/dbraw/zinc/04/77/10/1078047710.db2.gz KLSBEJNIONZGAJ-QEEYODRMSA-N 0 0 416.497 2.873 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c(O)c1 ZINC000793017306 1078050325 /nfs/dbraw/zinc/05/03/25/1078050325.db2.gz OZWSEKZKRRDATF-VQIMIIECSA-N 0 0 421.856 2.965 20 10 HFCDRN CCN(CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000747099477 1078051915 /nfs/dbraw/zinc/05/19/15/1078051915.db2.gz CODCVRCTIZEMPN-KRWDZBQOSA-N 0 0 418.515 2.515 20 10 HFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790566003 1078057128 /nfs/dbraw/zinc/05/71/28/1078057128.db2.gz YKILOSCBDWUPNW-IBGZPJMESA-N 0 0 416.428 2.961 20 10 HFCDRN NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(O)c1O ZINC000790572499 1078058606 /nfs/dbraw/zinc/05/86/06/1078058606.db2.gz KDAJWGSVINDHQR-UHFFFAOYSA-N 0 0 406.438 2.805 20 10 HFCDRN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793065291 1078060661 /nfs/dbraw/zinc/06/06/61/1078060661.db2.gz JHHKXDYKPRIZPJ-BLLLJJGKSA-N 0 0 402.413 2.698 20 10 HFCDRN O=C(Nc1cc(-c2ccc(Br)cc2)nn1CCO)c1cccc(O)c1O ZINC000790631880 1078068537 /nfs/dbraw/zinc/06/85/37/1078068537.db2.gz FZEIZDXUQSOQRE-UHFFFAOYSA-N 0 0 418.247 2.968 20 10 HFCDRN COc1ccc(CNC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c(O)c1 ZINC000793101668 1078077269 /nfs/dbraw/zinc/07/72/69/1078077269.db2.gz CZYXWOVAHWPGLI-BBRMVZONSA-N 0 0 423.510 2.961 20 10 HFCDRN CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000793159375 1078084914 /nfs/dbraw/zinc/08/49/14/1078084914.db2.gz 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COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(C)cc1F ZINC000793368287 1078150677 /nfs/dbraw/zinc/15/06/77/1078150677.db2.gz UXPICGLPGLFJKH-UHFFFAOYSA-N 0 0 408.451 2.558 20 10 HFCDRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000790824921 1078157766 /nfs/dbraw/zinc/15/77/66/1078157766.db2.gz WZQDFHMWDZAWTQ-UHFFFAOYSA-N 0 0 419.503 2.869 20 10 HFCDRN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1[N+](=O)[O-] ZINC000790831031 1078160126 /nfs/dbraw/zinc/16/01/26/1078160126.db2.gz XOFFNKNMEGEEMZ-UHFFFAOYSA-N 0 0 423.466 2.666 20 10 HFCDRN COCc1cc(C(=O)OC)cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000793401703 1078168413 /nfs/dbraw/zinc/16/84/13/1078168413.db2.gz UNQPRXOTZRHZMN-UHFFFAOYSA-N 0 0 418.833 2.947 20 10 HFCDRN CCOc1nc(C)ccc1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000790888465 1078171733 /nfs/dbraw/zinc/17/17/33/1078171733.db2.gz IWOBLOMOQGARNT-UHFFFAOYSA-N 0 0 415.490 2.777 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CCC4)[C@@H]3C3CC3)CC2)cc1 ZINC000793444562 1078173133 /nfs/dbraw/zinc/17/31/33/1078173133.db2.gz RNHBZLOSUZBWSW-ZUTVHTERSA-N 0 0 409.530 2.691 20 10 HFCDRN COc1cc(Cl)cc(CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000793607142 1078223504 /nfs/dbraw/zinc/22/35/04/1078223504.db2.gz OYGKNWAXQNRWGO-UHFFFAOYSA-N 0 0 410.923 2.863 20 10 HFCDRN COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)c1 ZINC000793614270 1078228206 /nfs/dbraw/zinc/22/82/06/1078228206.db2.gz KKWKLICBECMNPK-QGZVFWFLSA-N 0 0 402.495 2.928 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1-n1ccnc1 ZINC000793716016 1078263309 /nfs/dbraw/zinc/26/33/09/1078263309.db2.gz CHGGMWGCBACJTM-UHFFFAOYSA-N 0 0 419.529 2.992 20 10 HFCDRN Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000793755501 1078278089 /nfs/dbraw/zinc/27/80/89/1078278089.db2.gz HSMJSDIIRSKATE-INIZCTEOSA-N 0 0 423.517 2.794 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000793798361 1078300896 /nfs/dbraw/zinc/30/08/96/1078300896.db2.gz JODUMPZGWNUPGB-CQSZACIVSA-N 0 0 406.429 2.993 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)COc1cccc(F)c1 ZINC000793798046 1078301199 /nfs/dbraw/zinc/30/11/99/1078301199.db2.gz IBQDVZFPJRBZQX-MRXNPFEDSA-N 0 0 401.482 2.824 20 10 HFCDRN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000793779979 1078310144 /nfs/dbraw/zinc/31/01/44/1078310144.db2.gz BHVJFVCZUCAZIR-AWEZNQCLSA-N 0 0 417.456 2.547 20 10 HFCDRN O=C(NC[C@@H]1CC=CCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793821469 1078317258 /nfs/dbraw/zinc/31/72/58/1078317258.db2.gz WTMABXJRPIWRCN-HZPDHXFCSA-N 0 0 407.461 2.846 20 10 HFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000793848081 1078313950 /nfs/dbraw/zinc/31/39/50/1078313950.db2.gz JRBLFAHTLQTHHB-INIZCTEOSA-N 0 0 401.532 2.729 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCCc2ccc(F)cc2F)C2CC2)cc1 ZINC000793823403 1078317647 /nfs/dbraw/zinc/31/76/47/1078317647.db2.gz PEUOSFXXKBEUOF-UHFFFAOYSA-N 0 0 401.457 2.881 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000793864466 1078327011 /nfs/dbraw/zinc/32/70/11/1078327011.db2.gz QXZUSHOYMSDJNW-AWEZNQCLSA-N 0 0 422.551 2.523 20 10 HFCDRN Cn1cc(-c2cc(F)ccc2NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 ZINC000794132143 1078376611 /nfs/dbraw/zinc/37/66/11/1078376611.db2.gz QSKMOZCAJBJJIZ-UHFFFAOYSA-N 0 0 404.423 2.556 20 10 HFCDRN COc1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000794378950 1078431257 /nfs/dbraw/zinc/43/12/57/1078431257.db2.gz HODXWMBHEQRRFP-MRXNPFEDSA-N 0 0 417.849 2.576 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c(O)c1 ZINC000794380418 1078432014 /nfs/dbraw/zinc/43/20/14/1078432014.db2.gz YYQRLLWGCUYPLV-MRXNPFEDSA-N 0 0 419.275 2.833 20 10 HFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001129819081 1078514799 /nfs/dbraw/zinc/51/47/99/1078514799.db2.gz GRNIVBIMXHYCGK-IPELMVKDSA-N 0 0 405.539 2.790 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000804734468 1078592540 /nfs/dbraw/zinc/59/25/40/1078592540.db2.gz MPJFPUFOEMMJLZ-UHFFFAOYSA-N 0 0 417.259 2.734 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000804736282 1078594337 /nfs/dbraw/zinc/59/43/37/1078594337.db2.gz PGDGMPMHFQMOBY-GFCCVEGCSA-N 0 0 407.239 2.963 20 10 HFCDRN CN1CCN([C@H](C(=O)NCc2cc(Br)ccc2O)c2ccccc2)CC1 ZINC000804739119 1078597520 /nfs/dbraw/zinc/59/75/20/1078597520.db2.gz RBQISQODSOUENV-IBGZPJMESA-N 0 0 418.335 2.760 20 10 HFCDRN Cc1csc2nc(CC(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)cn12 ZINC001129659956 1078621116 /nfs/dbraw/zinc/62/11/16/1078621116.db2.gz BXASCORTDJVEJY-UHFFFAOYSA-N 0 0 406.458 2.678 20 10 HFCDRN CCN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000804795832 1078629565 /nfs/dbraw/zinc/62/95/65/1078629565.db2.gz ZIEWJVPTQMCBHI-VIFPVBQESA-N 0 0 403.233 2.805 20 10 HFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC001129974612 1078681368 /nfs/dbraw/zinc/68/13/68/1078681368.db2.gz QARUNVINJFVCDU-INIZCTEOSA-N 0 0 408.502 2.614 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)c2ccncc2)cc1F ZINC000804851770 1078720409 /nfs/dbraw/zinc/72/04/09/1078720409.db2.gz OKSGVBZSSUCYDH-UHFFFAOYSA-N 0 0 400.498 2.777 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000804852209 1078722880 /nfs/dbraw/zinc/72/28/80/1078722880.db2.gz CQRUUSUUTRQXMR-LZQZEXGQSA-N 0 0 405.514 2.608 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)cc1F ZINC000804851874 1078723249 /nfs/dbraw/zinc/72/32/49/1078723249.db2.gz RDAFFBSTJVUSPK-ROUUACIJSA-N 0 0 407.530 2.998 20 10 HFCDRN CCc1noc(CC)c1CNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804852093 1078723252 /nfs/dbraw/zinc/72/32/52/1078723252.db2.gz ZBQWVYCYDPWPAP-UHFFFAOYSA-N 0 0 404.486 2.717 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H](c3ccsc3)C2)cc1F ZINC000804853473 1078723804 /nfs/dbraw/zinc/72/38/04/1078723804.db2.gz QKHCAVVXHIPZOH-IBGZPJMESA-N 0 0 419.522 2.950 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(OC)cc2)cc1F ZINC000804853550 1078724189 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ZINC000807386788 1080583223 /nfs/dbraw/zinc/58/32/23/1080583223.db2.gz JDRRDFBJAVGGQA-UHFFFAOYSA-N 0 0 404.220 2.859 20 10 HFCDRN CC(C)Oc1ncccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807387505 1080584376 /nfs/dbraw/zinc/58/43/76/1080584376.db2.gz LYBFDAHXZHURAV-UHFFFAOYSA-N 0 0 408.252 2.592 20 10 HFCDRN CC(=O)Nc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1F ZINC000807387760 1080584680 /nfs/dbraw/zinc/58/46/80/1080584680.db2.gz VWFYKGGPSABOAP-UHFFFAOYSA-N 0 0 424.226 2.507 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C2CC2)cc1 ZINC000807541571 1080757724 /nfs/dbraw/zinc/75/77/24/1080757724.db2.gz PKNFPDGDUWPQMJ-SFHVURJKSA-N 0 0 414.472 2.690 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc3c(n2)CCCC3)C2CC2)cc1 ZINC000807574410 1080786548 /nfs/dbraw/zinc/78/65/48/1080786548.db2.gz PECOHOPXYBNIDH-UHFFFAOYSA-N 0 0 406.530 2.834 20 10 HFCDRN COc1ccc(CNC(=O)NCCCc2nnc(SC)n2CC(C)C)c(O)c1 ZINC000793041080 1078054122 /nfs/dbraw/zinc/05/41/22/1078054122.db2.gz HWTGNODGZYJMJB-UHFFFAOYSA-N 0 0 407.540 2.802 20 10 HFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793053867 1078057672 /nfs/dbraw/zinc/05/76/72/1078057672.db2.gz QHVNMDYXIFVEMJ-LBPRGKRZSA-N 0 0 415.446 2.989 20 10 HFCDRN COc1ccc(N2CCN(C(=O)Nc3cc([C@H]4CCCOC4)nn3C)CC2)cc1F ZINC000790545525 1078060303 /nfs/dbraw/zinc/06/03/03/1078060303.db2.gz IDHVKOAUNAATSE-HNNXBMFYSA-N 0 0 417.485 2.816 20 10 HFCDRN COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc21 ZINC000793133670 1078087019 /nfs/dbraw/zinc/08/70/19/1078087019.db2.gz XIFJTFLRGMZGSD-OAHLLOKOSA-N 0 0 424.476 2.947 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(O)c1 ZINC000793134689 1078087279 /nfs/dbraw/zinc/08/72/79/1078087279.db2.gz FAXDWXDJXSGOAM-MRXNPFEDSA-N 0 0 407.829 2.798 20 10 HFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790681706 1078089994 /nfs/dbraw/zinc/08/99/94/1078089994.db2.gz PMANWCKEJDAWNA-KXBFYZLASA-N 0 0 416.428 2.961 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000793245816 1078109124 /nfs/dbraw/zinc/10/91/24/1078109124.db2.gz MVACPGQSIMROJS-UHFFFAOYSA-N 0 0 403.548 2.594 20 10 HFCDRN COc1ccc(N2CCN(S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000790820174 1078154846 /nfs/dbraw/zinc/15/48/46/1078154846.db2.gz VCKKCBUESTWTFK-UHFFFAOYSA-N 0 0 405.476 2.731 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793607979 1078224282 /nfs/dbraw/zinc/22/42/82/1078224282.db2.gz GDZXRIWDISAXND-JKSUJKDBSA-N 0 0 405.545 2.778 20 10 HFCDRN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000793671852 1078247917 /nfs/dbraw/zinc/24/79/17/1078247917.db2.gz HZLPFVIUFZFQPP-RXVVDRJESA-N 0 0 410.514 2.956 20 10 HFCDRN Cc1ccn2cc(CNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nc2c1 ZINC000793752574 1078277822 /nfs/dbraw/zinc/27/78/22/1078277822.db2.gz YUKSJSJMVXNRFG-UHFFFAOYSA-N 0 0 407.518 2.762 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc2c1OCO2 ZINC000793737697 1078286042 /nfs/dbraw/zinc/28/60/42/1078286042.db2.gz NAAAMCRUNZIFCB-UHFFFAOYSA-N 0 0 409.486 2.680 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000793751624 1078291886 /nfs/dbraw/zinc/29/18/86/1078291886.db2.gz RRJJCDJAMXGSOO-UNMCSNQZSA-N 0 0 409.530 2.995 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000793788471 1078295894 /nfs/dbraw/zinc/29/58/94/1078295894.db2.gz YEBSWMOQEMOZTR-VXKWHMMOSA-N 0 0 423.488 2.855 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000793798360 1078300952 /nfs/dbraw/zinc/30/09/52/1078300952.db2.gz JODUMPZGWNUPGB-AWEZNQCLSA-N 0 0 406.429 2.993 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000793798044 1078301248 /nfs/dbraw/zinc/30/12/48/1078301248.db2.gz IBQDVZFPJRBZQX-INIZCTEOSA-N 0 0 401.482 2.824 20 10 HFCDRN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000793827397 1078318721 /nfs/dbraw/zinc/31/87/21/1078318721.db2.gz IXNDYEVNVPRIFW-IBGZPJMESA-N 0 0 407.514 2.880 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000793829615 1078319405 /nfs/dbraw/zinc/31/94/05/1078319405.db2.gz WBHHDVIQGDHFEX-UHFFFAOYSA-N 0 0 414.525 2.883 20 10 HFCDRN COc1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1C ZINC000793867150 1078327975 /nfs/dbraw/zinc/32/79/75/1078327975.db2.gz IEQWDVQYVORUEI-LJQANCHMSA-N 0 0 412.486 2.533 20 10 HFCDRN Cc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)CCOCC1 ZINC000793943612 1078353441 /nfs/dbraw/zinc/35/34/41/1078353441.db2.gz XOPVZSVVGCWXLF-UHFFFAOYSA-N 0 0 423.557 2.850 20 10 HFCDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC)cc1O ZINC000794376109 1078430519 /nfs/dbraw/zinc/43/05/19/1078430519.db2.gz BZWPCOJKGIBWHU-UHFFFAOYSA-N 0 0 420.443 2.894 20 10 HFCDRN COc1ccc(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c(O)c1 ZINC000794376425 1078430718 /nfs/dbraw/zinc/43/07/18/1078430718.db2.gz FWZXWIKATZBUQI-RTBURBONSA-N 0 0 421.453 2.609 20 10 HFCDRN COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c(O)c1 ZINC000794378986 1078431253 /nfs/dbraw/zinc/43/12/53/1078431253.db2.gz LJWZLMBSTYITSS-UHFFFAOYSA-N 0 0 401.444 2.870 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(O)c1 ZINC000794377299 1078431260 /nfs/dbraw/zinc/43/12/60/1078431260.db2.gz RGEHDYSITVTUGW-UHFFFAOYSA-N 0 0 418.515 2.896 20 10 HFCDRN COc1ccc(CNC(=O)COc2ccc(I)cc2)c(O)c1 ZINC000794379073 1078431274 /nfs/dbraw/zinc/43/12/74/1078431274.db2.gz YJDHEAFLXIQAOJ-UHFFFAOYSA-N 0 0 413.211 2.701 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c(O)c1 ZINC000794380955 1078431504 /nfs/dbraw/zinc/43/15/04/1078431504.db2.gz GFQBTUNYTSTISO-ZDUSSCGKSA-N 0 0 419.275 2.833 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000804381215 1078440153 /nfs/dbraw/zinc/44/01/53/1078440153.db2.gz ILJHLKJLYFVKMQ-LJQANCHMSA-N 0 0 413.543 2.989 20 10 HFCDRN COc1ccc(CNC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000794382049 1078431989 /nfs/dbraw/zinc/43/19/89/1078431989.db2.gz WOINXPRFAAOARS-NRFANRHFSA-N 0 0 402.422 2.768 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(O)c1 ZINC000794382324 1078432269 /nfs/dbraw/zinc/43/22/69/1078432269.db2.gz VQSVAMYJMOHQID-UHFFFAOYSA-N 0 0 401.440 2.898 20 10 HFCDRN COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(O)c1 ZINC000794382323 1078432273 /nfs/dbraw/zinc/43/22/73/1078432273.db2.gz VQFFCSXOMYVLFN-UHFFFAOYSA-N 0 0 404.488 2.505 20 10 HFCDRN CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)C[C@@H](C)[S@]1=O ZINC000804436829 1078481068 /nfs/dbraw/zinc/48/10/68/1078481068.db2.gz CQNUHEIYMSMPJX-FICWAZMISA-N 0 0 408.589 2.773 20 10 HFCDRN Cc1cc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000804693127 1078532683 /nfs/dbraw/zinc/53/26/83/1078532683.db2.gz QGDGCEIXFVZZIQ-GOSISDBHSA-N 0 0 403.548 2.946 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1coc(=O)c2ccccc12 ZINC001129549723 1078541568 /nfs/dbraw/zinc/54/15/68/1078541568.db2.gz SOPRSCZDQALFJY-UHFFFAOYSA-N 0 0 400.381 2.838 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1CN1CCOCC1 ZINC000804733211 1078592236 /nfs/dbraw/zinc/59/22/36/1078592236.db2.gz LOMMQEHRVXXMRE-UHFFFAOYSA-N 0 0 405.292 2.917 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000804736510 1078594791 /nfs/dbraw/zinc/59/47/91/1078594791.db2.gz WMHYTGONRXDJNP-HNNXBMFYSA-N 0 0 419.275 2.781 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000804737551 1078595059 /nfs/dbraw/zinc/59/50/59/1078595059.db2.gz LFJWVKKOQZQOBB-OAHLLOKOSA-N 0 0 407.239 2.963 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000804737291 1078595111 /nfs/dbraw/zinc/59/51/11/1078595111.db2.gz HAJDSUILGCDBSZ-OAHLLOKOSA-N 0 0 421.316 2.986 20 10 HFCDRN CC[C@](COC)(NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C(=O)OC ZINC001129619439 1078595857 /nfs/dbraw/zinc/59/58/57/1078595857.db2.gz ZWZZPGSWLDVRBW-JOCHJYFZSA-N 0 0 402.491 2.613 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000804737684 1078596014 /nfs/dbraw/zinc/59/60/14/1078596014.db2.gz WAVHSBBTVSNTDM-LBPRGKRZSA-N 0 0 407.239 2.963 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000804738066 1078597212 /nfs/dbraw/zinc/59/72/12/1078597212.db2.gz AXTGQTFPOAMTPI-CQSZACIVSA-N 0 0 413.337 2.863 20 10 HFCDRN CC(C)NS(=O)(=O)c1cccnc1NCc1cc(Br)ccc1O ZINC000804826936 1078667234 /nfs/dbraw/zinc/66/72/34/1078667234.db2.gz FKTZOONTBYUBCB-UHFFFAOYSA-N 0 0 400.298 2.849 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCc1scnc1C ZINC000804621145 1078670214 /nfs/dbraw/zinc/67/02/14/1078670214.db2.gz JYUSSVGRFYIIBI-UHFFFAOYSA-N 0 0 412.309 2.585 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc1F ZINC000804851873 1078723261 /nfs/dbraw/zinc/72/32/61/1078723261.db2.gz RDAFFBSTJVUSPK-QZTJIDSGSA-N 0 0 407.530 2.998 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)[C@H]2CCCCO2)cc1F ZINC000804853538 1078723836 /nfs/dbraw/zinc/72/38/36/1078723836.db2.gz QSGOGZPMOGTPRY-LJQANCHMSA-N 0 0 407.530 3.000 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)cc1F ZINC000804854496 1078725290 /nfs/dbraw/zinc/72/52/90/1078725290.db2.gz HDNFXPPURQMGNM-HSZRJFAPSA-N 0 0 415.509 2.702 20 10 HFCDRN C[C@H]1CC[C@H]1NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855981 1078727282 /nfs/dbraw/zinc/72/72/82/1078727282.db2.gz WCDZVYZFFFGUMG-MEDUHNTESA-N 0 0 405.432 2.630 20 10 HFCDRN O=C(NCc1ccc(-n2ccnc2)nc1)NCc1cc(Br)ccc1O ZINC000804900897 1078757070 /nfs/dbraw/zinc/75/70/70/1078757070.db2.gz NMXSQGDDWCKZEY-UHFFFAOYSA-N 0 0 402.252 2.735 20 10 HFCDRN Cc1nc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c(Br)n1C ZINC000804948988 1078777723 /nfs/dbraw/zinc/77/77/23/1078777723.db2.gz NVIGOHJXEUDQLJ-UHFFFAOYSA-N 0 0 413.341 2.570 20 10 HFCDRN COCCOc1ncccc1CNC(=O)NCc1cc(Br)ccc1O ZINC000804956127 1078797364 /nfs/dbraw/zinc/79/73/64/1078797364.db2.gz APFHRIUWDRXURK-UHFFFAOYSA-N 0 0 410.268 2.574 20 10 HFCDRN C[S@](=O)Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000804968489 1078804431 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O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(C2CC2)cnc1Cl ZINC000793127742 1078072444 /nfs/dbraw/zinc/07/24/44/1078072444.db2.gz WWGCXHOGNQVCGL-UHFFFAOYSA-N 0 0 419.934 2.777 20 10 HFCDRN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)O2 ZINC000793132327 1078086797 /nfs/dbraw/zinc/08/67/97/1078086797.db2.gz NDGXWISPNBAXLX-DENIHFKCSA-N 0 0 407.514 2.707 20 10 HFCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n(C)n1 ZINC000790675070 1078087411 /nfs/dbraw/zinc/08/74/11/1078087411.db2.gz XMOBQWOTNPSWHT-UHFFFAOYSA-N 0 0 411.428 2.583 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)c3c(C)nn(C)c3-n3ccnc3C)CC2)cc1 ZINC000793136365 1078088011 /nfs/dbraw/zinc/08/80/11/1078088011.db2.gz CMVOEROJMGOBMW-UHFFFAOYSA-N 0 0 408.506 2.584 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(O)c1 ZINC000793183781 1078095803 /nfs/dbraw/zinc/09/58/03/1078095803.db2.gz CPIQPKIVKOUFLJ-GOSISDBHSA-N 0 0 419.428 2.669 20 10 HFCDRN CC(C)C[C@H](O)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000746945962 1078150612 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ZINC000804559282 1078593737 /nfs/dbraw/zinc/59/37/37/1078593737.db2.gz WUYPWUCXPGZDTK-GAJHUEQPSA-N 0 0 408.502 2.995 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000804737681 1078596030 /nfs/dbraw/zinc/59/60/30/1078596030.db2.gz WAVHSBBTVSNTDM-GFCCVEGCSA-N 0 0 407.239 2.963 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000804738065 1078597190 /nfs/dbraw/zinc/59/71/90/1078597190.db2.gz AXTGQTFPOAMTPI-AWEZNQCLSA-N 0 0 413.337 2.863 20 10 HFCDRN Cc1cc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c(C)n1-c1ccccc1C ZINC000747210300 1078597604 /nfs/dbraw/zinc/59/76/04/1078597604.db2.gz ASQGXDILIRJUGX-UHFFFAOYSA-N 0 0 417.513 2.859 20 10 HFCDRN CC(=O)N1CCc2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)ccc21 ZINC001129661885 1078623485 /nfs/dbraw/zinc/62/34/85/1078623485.db2.gz UCYSLMZTWPVJKT-UHFFFAOYSA-N 0 0 415.440 2.640 20 10 HFCDRN CC(=O)Nc1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1C ZINC001129662032 1078623582 /nfs/dbraw/zinc/62/35/82/1078623582.db2.gz VOIZQSSMJXRZPW-UHFFFAOYSA-N 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ZINC000804853474 1078723759 /nfs/dbraw/zinc/72/37/59/1078723759.db2.gz QKHCAVVXHIPZOH-LJQANCHMSA-N 0 0 419.522 2.950 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)c2ncc(C)s2)cc1F ZINC000804854146 1078725247 /nfs/dbraw/zinc/72/52/47/1078725247.db2.gz YPKBSTAEEXEEMP-CYBMUJFWSA-N 0 0 406.527 2.973 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC23CCOCC3)cc1F ZINC000804852950 1078725381 /nfs/dbraw/zinc/72/53/81/1078725381.db2.gz JIVCQXFJEYGRDR-IBGZPJMESA-N 0 0 405.514 2.754 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000804853917 1078725767 /nfs/dbraw/zinc/72/57/67/1078725767.db2.gz XHLPQNWRCQUHDI-GOSISDBHSA-N 0 0 401.486 2.765 20 10 HFCDRN O=C(NCc1ccccc1Cn1cncn1)NCc1cc(Br)ccc1O ZINC000804909330 1078731808 /nfs/dbraw/zinc/73/18/08/1078731808.db2.gz SQOOUOYLEGVUAG-UHFFFAOYSA-N 0 0 416.279 2.794 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)C2)cc1 ZINC001129991507 1078757204 /nfs/dbraw/zinc/75/72/04/1078757204.db2.gz QAESGPDROWIZIE-LEWJYISDSA-N 0 0 421.541 2.995 20 10 HFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)CC2)cc1 ZINC000804936744 1078762274 /nfs/dbraw/zinc/76/22/74/1078762274.db2.gz OBZJJTWNBXWDFX-UHFFFAOYSA-N 0 0 401.410 2.620 20 10 HFCDRN CC(=O)Nc1ncc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000804991232 1078795606 /nfs/dbraw/zinc/79/56/06/1078795606.db2.gz MPSMWIFPGHKGKJ-UHFFFAOYSA-N 0 0 408.549 2.816 20 10 HFCDRN CCNC(=O)c1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804969628 1078804916 /nfs/dbraw/zinc/80/49/16/1078804916.db2.gz HJUILEWRGCOELH-UHFFFAOYSA-N 0 0 406.280 2.904 20 10 HFCDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000804969209 1078805656 /nfs/dbraw/zinc/80/56/56/1078805656.db2.gz NZTMNABVGWZSDQ-UHFFFAOYSA-N 0 0 416.453 2.955 20 10 HFCDRN C[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000804970084 1078806462 /nfs/dbraw/zinc/80/64/62/1078806462.db2.gz MBYMXWVMWGFBGQ-CYBMUJFWSA-N 0 0 415.437 2.977 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000805026762 1078838393 /nfs/dbraw/zinc/83/83/93/1078838393.db2.gz ZXCPAYRIXRSWQZ-UGKGYDQZSA-N 0 0 423.561 2.845 20 10 HFCDRN CC(C)C[C@@H](CCO)CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805019430 1078830897 /nfs/dbraw/zinc/83/08/97/1078830897.db2.gz HPYXVZLASRJWNT-HXUWFJFHSA-N 0 0 403.567 2.700 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)cc2)CC1 ZINC000805022726 1078833840 /nfs/dbraw/zinc/83/38/40/1078833840.db2.gz BRVIDHMKHOHVIF-QFIPXVFZSA-N 0 0 413.562 2.957 20 10 HFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CCOCC1 ZINC000805023388 1078834990 /nfs/dbraw/zinc/83/49/90/1078834990.db2.gz GSLSANARMHYRJA-NRFANRHFSA-N 0 0 401.551 2.861 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCCc3cnc(C4CC4)nc3)cc2)CC1 ZINC000805025963 1078837592 /nfs/dbraw/zinc/83/75/92/1078837592.db2.gz XXQZFUHNEQMPTF-UHFFFAOYSA-N 0 0 421.545 2.565 20 10 HFCDRN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091818 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CC(=O)N1CCN(c2ccc(CNC(=O)[C@@](C)(O)[C@H](C)c3ccccc3)cc2)CC1 ZINC000787321952 1076763856 /nfs/dbraw/zinc/76/38/56/1076763856.db2.gz KQUDMEWJYAWUNO-KOSHJBKYSA-N 0 0 409.530 2.526 20 10 HFCDRN COC(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@H]1C ZINC000787324624 1076767997 /nfs/dbraw/zinc/76/79/97/1076767997.db2.gz KLEVIXRSFJYPRV-OFQRWUPVSA-N 0 0 420.465 2.672 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000787325136 1076768789 /nfs/dbraw/zinc/76/87/89/1076768789.db2.gz HWZQUJDGGQIEQF-JXFKEZNVSA-N 0 0 411.502 2.767 20 10 HFCDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000787363372 1076773546 /nfs/dbraw/zinc/77/35/46/1076773546.db2.gz LZUGTZKYGSPNTN-KRWDZBQOSA-N 0 0 423.513 2.769 20 10 HFCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000787513186 1076831108 /nfs/dbraw/zinc/83/11/08/1076831108.db2.gz BJBHVLFGJVXOOX-UHFFFAOYSA-N 0 0 421.548 2.830 20 10 HFCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 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/nfs/dbraw/zinc/97/55/73/1076975573.db2.gz ZOHUSRHZMICTPS-UHFFFAOYSA-N 0 0 423.435 2.935 20 10 HFCDRN CCCC(=O)Nc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000788015321 1077029241 /nfs/dbraw/zinc/02/92/41/1077029241.db2.gz OWFLRPPEQOIBFS-UHFFFAOYSA-N 0 0 414.481 2.563 20 10 HFCDRN COC(=O)NCCc1ccc(S(=O)(=O)NCCCSc2nccs2)s1 ZINC000788046921 1077041138 /nfs/dbraw/zinc/04/11/38/1077041138.db2.gz FRPFIRUFXABINR-UHFFFAOYSA-N 0 0 421.591 2.564 20 10 HFCDRN CC(C)[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnn1C ZINC000788115261 1077066524 /nfs/dbraw/zinc/06/65/24/1077066524.db2.gz UAHXEFLGQHXRMG-SFHVURJKSA-N 0 0 417.529 2.759 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000788344577 1077112282 /nfs/dbraw/zinc/11/22/82/1077112282.db2.gz VCTKFADIIXXNQV-UHFFFAOYSA-N 0 0 407.514 2.887 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000788313714 1077116801 /nfs/dbraw/zinc/11/68/01/1077116801.db2.gz VCFXXASSRSHMDO-VXKWHMMOSA-N 0 0 421.541 2.982 20 10 HFCDRN CCc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000788314037 1077116802 /nfs/dbraw/zinc/11/68/02/1077116802.db2.gz WZXFFGWKNZTHDG-UHFFFAOYSA-N 0 0 421.541 2.893 20 10 HFCDRN O=C(NCCCc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788317888 1077118074 /nfs/dbraw/zinc/11/80/74/1077118074.db2.gz AESYXQCQBRHPJN-UHFFFAOYSA-N 0 0 415.921 2.542 20 10 HFCDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000788318839 1077118517 /nfs/dbraw/zinc/11/85/17/1077118517.db2.gz IGWAVUFAKINNNI-SIKLNZKXSA-N 0 0 421.541 2.852 20 10 HFCDRN CCN(Cc1ccccc1Cl)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788318640 1077118732 /nfs/dbraw/zinc/11/87/32/1077118732.db2.gz GPVWZSPQQICPQK-UHFFFAOYSA-N 0 0 415.921 2.842 20 10 HFCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788321108 1077119120 /nfs/dbraw/zinc/11/91/20/1077119120.db2.gz SNRXOMCGXTZSBM-AVRDEDQJSA-N 0 0 407.514 2.544 20 10 HFCDRN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788324080 1077120518 /nfs/dbraw/zinc/12/05/18/1077120518.db2.gz RSDONLHBZFBXBP-JPYJTQIMSA-N 0 0 421.541 2.969 20 10 HFCDRN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788324079 1077120526 /nfs/dbraw/zinc/12/05/26/1077120526.db2.gz RSDONLHBZFBXBP-FDDCHVKYSA-N 0 0 421.541 2.969 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000788481388 1077175575 /nfs/dbraw/zinc/17/55/75/1077175575.db2.gz CJQCPLRQJKWYED-NQIIRXRSSA-N 0 0 421.541 2.937 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)C1 ZINC000788582661 1077212591 /nfs/dbraw/zinc/21/25/91/1077212591.db2.gz FIIDUXQTMSGZDD-AWEZNQCLSA-N 0 0 406.408 2.732 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000788653227 1077227181 /nfs/dbraw/zinc/22/71/81/1077227181.db2.gz WAKSYAJPSSNUQN-UHFFFAOYSA-N 0 0 423.561 2.670 20 10 HFCDRN CO[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)cccc21 ZINC000790920836 1077232233 /nfs/dbraw/zinc/23/22/33/1077232233.db2.gz CFAHJKVUXWWFCN-SFHVURJKSA-N 0 0 401.438 2.617 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3OC)c1 ZINC000790926854 1077235546 /nfs/dbraw/zinc/23/55/46/1077235546.db2.gz BGMUAOCZRJQBDW-XIKOKIGWSA-N 0 0 400.431 2.687 20 10 HFCDRN CC(=O)N1CCCN(c2ccc(F)cc2NCc2cc3c(cc2O)OCO3)CC1 ZINC000790934410 1077239085 /nfs/dbraw/zinc/23/90/85/1077239085.db2.gz MJOKVKBNELBFFU-UHFFFAOYSA-N 0 0 401.438 2.931 20 10 HFCDRN O=S(=O)(c1cccc(NCc2c(O)ccc(Cl)c2F)c1)N1CCC(O)CC1 ZINC000790993364 1077263477 /nfs/dbraw/zinc/26/34/77/1077263477.db2.gz UMUBAPGJZRTSBZ-UHFFFAOYSA-N 0 0 414.886 2.942 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CC2)cc1 ZINC000788768489 1077282186 /nfs/dbraw/zinc/28/21/86/1077282186.db2.gz FRWGHZFUUXPASI-IBGZPJMESA-N 0 0 415.534 2.991 20 10 HFCDRN CCO[C@@H]1C[C@](O)(CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000788733614 1077285080 /nfs/dbraw/zinc/28/50/80/1077285080.db2.gz UIRBBFVBGOCACU-NQIIRXRSSA-N 0 0 407.580 2.605 20 10 HFCDRN CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000788743938 1077287452 /nfs/dbraw/zinc/28/74/52/1077287452.db2.gz LDLRGALJUPSUSB-QFIPXVFZSA-N 0 0 407.530 2.869 20 10 HFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C2=Cc3ccccc3OC2)cc1OC ZINC000788748532 1077288760 /nfs/dbraw/zinc/28/87/60/1077288760.db2.gz VCGPANSRUHJYLZ-UHFFFAOYSA-N 0 0 424.500 2.632 20 10 HFCDRN Cc1cc(CCNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)c(C)n1-c1ccccc1 ZINC000791124071 1077294335 /nfs/dbraw/zinc/29/43/35/1077294335.db2.gz NAHWAMIGLSUKAX-DEOSSOPVSA-N 0 0 407.514 2.674 20 10 HFCDRN CN(C)c1ccc(CNC(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)cc1F ZINC000746976058 1077296653 /nfs/dbraw/zinc/29/66/53/1077296653.db2.gz SJSPFXZSCHBXLS-UHFFFAOYSA-N 0 0 420.510 2.531 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000788822653 1077310158 /nfs/dbraw/zinc/31/01/58/1077310158.db2.gz NJURMMWQEHUQDR-HXUWFJFHSA-N 0 0 420.557 2.886 20 10 HFCDRN C[C@@H](NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccc(N2CCOCC2)cc1 ZINC000788832930 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417.466 2.570 20 10 HFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000791251023 1077348475 /nfs/dbraw/zinc/34/84/75/1077348475.db2.gz WGEWTLRWMKQQOG-UHFFFAOYSA-N 0 0 412.552 2.588 20 10 HFCDRN CN(Cc1ccc(Br)o1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788909965 1077349807 /nfs/dbraw/zinc/34/98/07/1077349807.db2.gz JAERTCCETNBFDD-UHFFFAOYSA-N 0 0 420.307 2.917 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCOc2ccc(F)cc2F)cc1 ZINC000788950882 1077360094 /nfs/dbraw/zinc/36/00/94/1077360094.db2.gz LDMMJCZOHMYCBS-UHFFFAOYSA-N 0 0 405.445 2.622 20 10 HFCDRN COc1ccc(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000788934748 1077369318 /nfs/dbraw/zinc/36/93/18/1077369318.db2.gz YTGOBNDQNGCOCG-GOSISDBHSA-N 0 0 409.530 2.907 20 10 HFCDRN CCOc1cc2c(cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)O[C@@H](C)C2 ZINC000747010049 1077399012 /nfs/dbraw/zinc/39/90/12/1077399012.db2.gz LUXUQSLDRLNSSG-ZDUSSCGKSA-N 0 0 415.465 2.869 20 10 HFCDRN COC(=O)c1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1C ZINC000746786648 1077399054 /nfs/dbraw/zinc/39/90/54/1077399054.db2.gz JSBIMDYJHZDMPZ-UHFFFAOYSA-N 0 0 409.486 2.977 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=S)NCCc3ccc(F)cc3)CC2)cc1 ZINC000789209439 1077463556 /nfs/dbraw/zinc/46/35/56/1077463556.db2.gz VILPNRPQPAYIPP-UHFFFAOYSA-N 0 0 416.566 2.663 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c(OC)c2)c1 ZINC000746792943 1077483172 /nfs/dbraw/zinc/48/31/72/1077483172.db2.gz CYFZUFUXSMQKQY-SNVBAGLBSA-N 0 0 423.263 2.988 20 10 HFCDRN O=C(CN1C[C@H](O)Cc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000789354988 1077514002 /nfs/dbraw/zinc/51/40/02/1077514002.db2.gz WLRNUTAWOMLZNA-MRXNPFEDSA-N 0 0 412.445 2.824 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000789331936 1077524169 /nfs/dbraw/zinc/52/41/69/1077524169.db2.gz MIHSBNFVCDRCSQ-ZBFHGGJFSA-N 0 0 401.301 2.880 20 10 HFCDRN CC(C)c1csc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000789377455 1077546403 /nfs/dbraw/zinc/54/64/03/1077546403.db2.gz KKFCGJWZYYWPSK-UHFFFAOYSA-N 0 0 420.510 2.622 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)N[C@H](c3cnn(C)c3)C(F)(F)F)CC2)cc1 ZINC000772783834 1077581874 /nfs/dbraw/zinc/58/18/74/1077581874.db2.gz HLVSSHBXGRCXBV-QGZVFWFLSA-N 0 0 411.428 2.954 20 10 HFCDRN CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000792057595 1077663007 /nfs/dbraw/zinc/66/30/07/1077663007.db2.gz GCCZTVUXZFOZHW-UHFFFAOYSA-N 0 0 407.561 2.924 20 10 HFCDRN CCNC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000789554494 1077673562 /nfs/dbraw/zinc/67/35/62/1077673562.db2.gz RVMZUBAVDOPOIB-UHFFFAOYSA-N 0 0 424.501 2.976 20 10 HFCDRN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000792038086 1077688778 /nfs/dbraw/zinc/68/87/78/1077688778.db2.gz JPKFWNRYYQSXGT-HNNXBMFYSA-N 0 0 409.502 2.706 20 10 HFCDRN C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)CCO2 ZINC000792039340 1077689312 /nfs/dbraw/zinc/68/93/12/1077689312.db2.gz PCVWHQYPHNWEHQ-PEOGOYOCSA-N 0 0 421.513 2.529 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792081214 1077706446 /nfs/dbraw/zinc/70/64/46/1077706446.db2.gz IGNRYBXUPAVLBN-LJQANCHMSA-N 0 0 417.303 2.906 20 10 HFCDRN C[C@@H](NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1ncnn1C ZINC000789695376 1077732217 /nfs/dbraw/zinc/73/22/17/1077732217.db2.gz SKIUBQDBLCARLF-VSXLWIIGSA-N 0 0 421.573 2.735 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCc3ccc4ncccc4c3)CC2)cc1 ZINC000789697954 1077733533 /nfs/dbraw/zinc/73/35/33/1077733533.db2.gz YCKVQLHYTWPFSU-UHFFFAOYSA-N 0 0 418.497 2.599 20 10 HFCDRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000792174929 1077734551 /nfs/dbraw/zinc/73/45/51/1077734551.db2.gz NNEKKWGDSGJYJD-UHFFFAOYSA-N 0 0 416.503 2.795 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000789722475 1077758031 /nfs/dbraw/zinc/75/80/31/1077758031.db2.gz JYIJXZDXKOKUHR-MRXNPFEDSA-N 0 0 415.559 2.755 20 10 HFCDRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H](C)c3cc(OC)ccc3O)C2)c1 ZINC000792237583 1077758988 /nfs/dbraw/zinc/75/89/88/1077758988.db2.gz GCSIAGCGTANELX-FKIZINRSSA-N 0 0 400.431 2.788 20 10 HFCDRN C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000792238875 1077759129 /nfs/dbraw/zinc/75/91/29/1077759129.db2.gz WYSMFRWMJYLWGN-HXUWFJFHSA-N 0 0 424.419 2.519 20 10 HFCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C ZINC000792210752 1077765506 /nfs/dbraw/zinc/76/55/06/1077765506.db2.gz PNDLSWUVLXEMRF-MRXNPFEDSA-N 0 0 413.522 2.849 20 10 HFCDRN CC[C@H](C)[C@H](C)N(C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000789799069 1077803896 /nfs/dbraw/zinc/80/38/96/1077803896.db2.gz HWAACPXGLJFWJN-HOTGVXAUSA-N 0 0 405.514 2.704 20 10 HFCDRN CC(C)C1CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789801454 1077804866 /nfs/dbraw/zinc/80/48/66/1077804866.db2.gz SZAFPVJQCLUPLP-UHFFFAOYSA-N 0 0 405.514 2.610 20 10 HFCDRN Cc1ccc([C@H](C)CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000789801900 1077805546 /nfs/dbraw/zinc/80/55/46/1077805546.db2.gz WEHBFDWIAOHXRX-QGZVFWFLSA-N 0 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CIALOJCWBQGAGI-UHFFFAOYSA-N 0 0 418.515 2.896 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(O)c1 ZINC000794376415 1078430523 /nfs/dbraw/zinc/43/05/23/1078430523.db2.gz FVNKKBGSOYJJCD-UHFFFAOYSA-N 0 0 418.515 2.814 20 10 HFCDRN COc1ccc(CNC(=O)c2cccn3c(I)cnc23)c(O)c1 ZINC000794387699 1078433416 /nfs/dbraw/zinc/43/34/16/1078433416.db2.gz JVXUGBSNPMDOJO-UHFFFAOYSA-N 0 0 423.210 2.583 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)c(O)c1 ZINC000794388911 1078433525 /nfs/dbraw/zinc/43/35/25/1078433525.db2.gz BXAASXGQWVDMJL-QGZVFWFLSA-N 0 0 418.515 2.577 20 10 HFCDRN COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)c(O)c1 ZINC000794390938 1078434021 /nfs/dbraw/zinc/43/40/21/1078434021.db2.gz RUZLEGAYWWGESY-UHFFFAOYSA-N 0 0 418.393 2.721 20 10 HFCDRN COc1ccc(CNC(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000794391652 1078434809 /nfs/dbraw/zinc/43/48/09/1078434809.db2.gz ZVAOUXYGWDZDQG-UHFFFAOYSA-N 0 0 403.431 2.706 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N[C@@H]1CCCc2sccc21 ZINC000804383985 1078443057 /nfs/dbraw/zinc/44/30/57/1078443057.db2.gz ZRMNIKAZKBLFGG-LJQANCHMSA-N 0 0 413.543 2.737 20 10 HFCDRN Cc1nnsc1CNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001129446606 1078456541 /nfs/dbraw/zinc/45/65/41/1078456541.db2.gz SERQHNNNDRFDKY-JYRVWZFOSA-N 0 0 422.532 2.893 20 10 HFCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000804409101 1078458022 /nfs/dbraw/zinc/45/80/22/1078458022.db2.gz JZIOIVMJWOPHMV-CTNGQTDRSA-N 0 0 401.551 2.957 20 10 HFCDRN COc1ccc(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1F ZINC000804653541 1078480684 /nfs/dbraw/zinc/48/06/84/1078480684.db2.gz YDVSUEHBFSXHFI-UHFFFAOYSA-N 0 0 413.493 2.750 20 10 HFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC001129819715 1078514869 /nfs/dbraw/zinc/51/48/69/1078514869.db2.gz KXNKOXDAMZOHKU-ZIAGYGMSSA-N 0 0 420.604 2.773 20 10 HFCDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549067 1078540345 /nfs/dbraw/zinc/54/03/45/1078540345.db2.gz CEXBZCMMQBWEJC-CYBMUJFWSA-N 0 0 406.477 2.647 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000804739450 1078575328 /nfs/dbraw/zinc/57/53/28/1078575328.db2.gz YZHYWLYXCZFHHH-GOSISDBHSA-N 0 0 423.282 2.984 20 10 HFCDRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cc(Br)ccc1O ZINC000804739672 1078574842 /nfs/dbraw/zinc/57/48/42/1078574842.db2.gz NZPXVNVHDWLEQP-SXGWCWSVSA-N 0 0 414.263 2.764 20 10 HFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804554725 1078582756 /nfs/dbraw/zinc/58/27/56/1078582756.db2.gz ACGVDLQCMIOTOZ-UZUQRXQVSA-N 0 0 408.502 2.995 20 10 HFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)c2C)cc1 ZINC000804557242 1078592587 /nfs/dbraw/zinc/59/25/87/1078592587.db2.gz BQQMWSPPAJLVMA-UZUQRXQVSA-N 0 0 424.501 2.696 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000804734561 1078592644 /nfs/dbraw/zinc/59/26/44/1078592644.db2.gz QXCPYEOJZJARJB-GOSISDBHSA-N 0 0 423.282 2.984 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000804734081 1078593053 /nfs/dbraw/zinc/59/30/53/1078593053.db2.gz CILCTYSETQUJIQ-AWEZNQCLSA-N 0 0 418.291 2.718 20 10 HFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000804559518 1078593395 /nfs/dbraw/zinc/59/33/95/1078593395.db2.gz YRBYPMNMRSQICE-JLTOFOAXSA-N 0 0 400.504 2.748 20 10 HFCDRN C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cc(Br)ccc2O)C1=O ZINC000804736625 1078594719 /nfs/dbraw/zinc/59/47/19/1078594719.db2.gz WGZSHOVFJLBMJI-GFCCVEGCSA-N 0 0 419.275 2.975 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000804736874 1078595680 /nfs/dbraw/zinc/59/56/80/1078595680.db2.gz CLEKDBAPLVBUME-UHFFFAOYSA-N 0 0 410.312 2.699 20 10 HFCDRN O=C(CCc1nc(-c2ccccn2)no1)NCc1cc(Br)ccc1O ZINC000804737707 1078595986 /nfs/dbraw/zinc/59/59/86/1078595986.db2.gz WLNQLAOVUURIIP-UHFFFAOYSA-N 0 0 403.236 2.849 20 10 HFCDRN COc1ccc(COCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001129662062 1078623514 /nfs/dbraw/zinc/62/35/14/1078623514.db2.gz VPONJZWICJZKTA-UHFFFAOYSA-N 0 0 406.429 2.643 20 10 HFCDRN O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCCc2c(Cl)ccc(Cl)c21 ZINC001129719141 1078672187 /nfs/dbraw/zinc/67/21/87/1078672187.db2.gz SISVDNIVEUTKKZ-UHFFFAOYSA-N 0 0 412.298 2.770 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC2(C)CCOCC2)cc1 ZINC000804648566 1078704868 /nfs/dbraw/zinc/70/48/68/1078704868.db2.gz FWECWUHONQQBNJ-UHFFFAOYSA-N 0 0 413.518 2.807 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1F ZINC000804852207 1078722844 /nfs/dbraw/zinc/72/28/44/1078722844.db2.gz CQRUUSUUTRQXMR-IPELMVKDSA-N 0 0 405.514 2.608 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)c2nc(C)cs2)cc1F ZINC000804853748 1078723314 /nfs/dbraw/zinc/72/33/14/1078723314.db2.gz UFFAYQBJFFRHNL-ZDUSSCGKSA-N 0 0 406.527 2.973 20 10 HFCDRN Cc1cc(C(=O)Cn2nnnc2-c2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000804907332 1078729959 /nfs/dbraw/zinc/72/99/59/1078729959.db2.gz WJTKRGJSGUGRQB-UHFFFAOYSA-N 0 0 402.414 2.754 20 10 HFCDRN CC(C)(C)C(=O)N1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804917456 1078738378 /nfs/dbraw/zinc/73/83/78/1078738378.db2.gz PKAFSRVJWHSSTF-UHFFFAOYSA-N 0 0 412.328 2.991 20 10 HFCDRN COCCOc1ccc(CNC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804917173 1078738844 /nfs/dbraw/zinc/73/88/44/1078738844.db2.gz HAEPVPPOVIFUDG-UHFFFAOYSA-N 0 0 410.268 2.574 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C)n(-c4nc(C)cc(C)n4)n3)C2)cc1 ZINC001129990923 1078756732 /nfs/dbraw/zinc/75/67/32/1078756732.db2.gz JKSWZLIWAOOLNL-GOSISDBHSA-N 0 0 420.517 2.852 20 10 HFCDRN CN(C)C(=O)c1ccc(CNC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804943406 1078770660 /nfs/dbraw/zinc/77/06/60/1078770660.db2.gz HZXACDOOTKJYGX-UHFFFAOYSA-N 0 0 406.280 2.856 20 10 HFCDRN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000805022787 1078833538 /nfs/dbraw/zinc/83/35/38/1078833538.db2.gz DFARFAPVOYGQRU-PZJWPPBQSA-N 0 0 401.551 2.859 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000805023203 1078835852 /nfs/dbraw/zinc/83/58/52/1078835852.db2.gz CVZSWDIYYYPCEW-PWRODBHTSA-N 0 0 411.546 2.613 20 10 HFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1F ZINC000805031425 1078843723 /nfs/dbraw/zinc/84/37/23/1078843723.db2.gz DYTUCTCBKCMAQJ-UHFFFAOYSA-N 0 0 403.838 2.533 20 10 HFCDRN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091819 1078918070 /nfs/dbraw/zinc/91/80/70/1078918070.db2.gz QUYFQDULQAYASG-UGKGYDQZSA-N 0 0 400.567 2.928 20 10 HFCDRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000747231059 1078944300 /nfs/dbraw/zinc/94/43/00/1078944300.db2.gz VCNZRMQIOHRGMH-UHFFFAOYSA-N 0 0 418.515 2.610 20 10 HFCDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000805177558 1078963275 /nfs/dbraw/zinc/96/32/75/1078963275.db2.gz GOHORGQJUMOXJF-HXUWFJFHSA-N 0 0 423.557 2.846 20 10 HFCDRN Cc1cc(C(=O)COC(=O)C(=O)c2cccn2C)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000805649861 1079203245 /nfs/dbraw/zinc/20/32/45/1079203245.db2.gz WXUUDJUYSAWRKH-UHFFFAOYSA-N 0 0 422.437 2.813 20 10 HFCDRN Cc1cccc(CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000805715494 1079233897 /nfs/dbraw/zinc/23/38/97/1079233897.db2.gz SKYWBTSBBOMVEF-UHFFFAOYSA-N 0 0 420.513 2.937 20 10 HFCDRN CCOc1cc(CNC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)ccc1OC ZINC000805743054 1079244778 /nfs/dbraw/zinc/24/47/78/1079244778.db2.gz HDXNYFFWUFOLIN-UHFFFAOYSA-N 0 0 413.518 2.825 20 10 HFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2OC)cc1F ZINC000747270997 1079276764 /nfs/dbraw/zinc/27/67/64/1079276764.db2.gz VOQGXGZSDAGYQN-UHFFFAOYSA-N 0 0 424.494 2.946 20 10 HFCDRN CN1CCCc2cc(CNC(=O)NCCCN3C(=O)c4ccccc4C3=O)ccc21 ZINC000805818919 1079291704 /nfs/dbraw/zinc/29/17/04/1079291704.db2.gz NFAZRUBOIZKPFG-UHFFFAOYSA-N 0 0 406.486 2.555 20 10 HFCDRN O=C(NCCc1cc(F)ccc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000805824176 1079294208 /nfs/dbraw/zinc/29/42/08/1079294208.db2.gz XLZVIDSXEHSGEB-GOSISDBHSA-N 0 0 418.440 2.537 20 10 HFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000805878246 1079319047 /nfs/dbraw/zinc/31/90/47/1079319047.db2.gz GSPIAXFUHIRWCB-RYUDHWBXSA-N 0 0 422.530 2.768 20 10 HFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000805879120 1079319505 /nfs/dbraw/zinc/31/95/05/1079319505.db2.gz CGBKPPYURFRKCF-KBPBESRZSA-N 0 0 418.567 2.971 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@]3(C)CCOC3)cc2Cl)C1 ZINC000806030558 1079407121 /nfs/dbraw/zinc/40/71/21/1079407121.db2.gz KLONGRQJLSVWQH-BTYIYWSLSA-N 0 0 407.942 2.735 20 10 HFCDRN CC(C)n1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000806117928 1079445912 /nfs/dbraw/zinc/44/59/12/1079445912.db2.gz RYXZZCCSYRPMMM-UHFFFAOYSA-N 0 0 423.517 2.968 20 10 HFCDRN C[C@@H](NC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000806166517 1079475413 /nfs/dbraw/zinc/47/54/13/1079475413.db2.gz SGBCAUXSIYRTPS-DYESRHJHSA-N 0 0 405.502 2.684 20 10 HFCDRN CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000806198961 1079485846 /nfs/dbraw/zinc/48/58/46/1079485846.db2.gz VVSOPUQFQBRWCR-NDEPHWFRSA-N 0 0 408.564 2.717 20 10 HFCDRN Cc1nnnn1-c1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000806200851 1079488186 /nfs/dbraw/zinc/48/81/86/1079488186.db2.gz OERBJAOTYBALCB-UHFFFAOYSA-N 0 0 403.240 2.761 20 10 HFCDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000787331813 1076743605 /nfs/dbraw/zinc/74/36/05/1076743605.db2.gz YPPISQAWGPFRLS-OXQOHEQNSA-N 0 0 411.502 2.514 20 10 HFCDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000787331806 1076743943 /nfs/dbraw/zinc/74/39/43/1076743943.db2.gz YPPISQAWGPFRLS-JXFKEZNVSA-N 0 0 411.502 2.514 20 10 HFCDRN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332689 1076744459 /nfs/dbraw/zinc/74/44/59/1076744459.db2.gz UGBTWRIAAGAWFW-JIGPKXGUSA-N 0 0 409.486 2.591 20 10 HFCDRN CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787319670 1076762303 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1077824138 /nfs/dbraw/zinc/82/41/38/1077824138.db2.gz KEQBLGCGSVLZLV-GOSISDBHSA-N 0 0 412.490 2.527 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC(C)(C)C1 ZINC000789816118 1077824378 /nfs/dbraw/zinc/82/43/78/1077824378.db2.gz BUSXWGXQXIQQLN-ZACQAIPSSA-N 0 0 419.541 2.950 20 10 HFCDRN CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000789815804 1077824734 /nfs/dbraw/zinc/82/47/34/1077824734.db2.gz AHRZVDQVTMMSFM-NBOOPKSLSA-N 0 0 405.514 2.703 20 10 HFCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000789815805 1077824844 /nfs/dbraw/zinc/82/48/44/1077824844.db2.gz AHRZVDQVTMMSFM-XLMAVXFVSA-N 0 0 405.514 2.703 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000789819512 1077826003 /nfs/dbraw/zinc/82/60/03/1077826003.db2.gz NXXKYZYKXCRMAC-HTBDUDNFSA-N 0 0 419.541 2.996 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 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/nfs/dbraw/zinc/84/01/66/1077840166.db2.gz PWCBQPQXIYSDMU-UHFFFAOYSA-N 0 0 424.570 2.657 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000789859632 1077840869 /nfs/dbraw/zinc/84/08/69/1077840869.db2.gz CEQGGVQKVICENV-GBESFXJTSA-N 0 0 401.576 2.941 20 10 HFCDRN COCCN(C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000789862528 1077842092 /nfs/dbraw/zinc/84/20/92/1077842092.db2.gz VAPAMZAXLYUCMW-PXNSSMCTSA-N 0 0 419.591 2.520 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCn4cnnc4[C@H]3C)c2C)cc1 ZINC000792379774 1077844692 /nfs/dbraw/zinc/84/46/92/1077844692.db2.gz NHYZHNNWTXNNKP-MRXNPFEDSA-N 0 0 407.474 2.732 20 10 HFCDRN O=C([O-])C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN(Cc2ccccc2)CC1 ZINC000789904553 1077856383 /nfs/dbraw/zinc/85/63/83/1077856383.db2.gz XZRUEJKELIBSRM-UHFFFAOYSA-N 0 0 409.530 2.732 20 10 HFCDRN CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000789948413 1077864301 /nfs/dbraw/zinc/86/43/01/1077864301.db2.gz AJEMYGAIBOUHEV-CQSZACIVSA-N 0 0 415.456 2.567 20 10 HFCDRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1F ZINC000789956170 1077867993 /nfs/dbraw/zinc/86/79/93/1077867993.db2.gz CJOHYTVLQDTSRT-UHFFFAOYSA-N 0 0 404.413 2.853 20 10 HFCDRN CCOC(=O)c1csc([C@@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000792471201 1077871056 /nfs/dbraw/zinc/87/10/56/1077871056.db2.gz PSDRJERJIIRMIW-SFHVURJKSA-N 0 0 416.547 2.839 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789964527 1077872945 /nfs/dbraw/zinc/87/29/45/1077872945.db2.gz VTOXGADLQNAKQB-QGZVFWFLSA-N 0 0 404.511 2.771 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000772799059 1077903322 /nfs/dbraw/zinc/90/33/22/1077903322.db2.gz FMUKZMJKIZYOCW-QGZVFWFLSA-N 0 0 411.428 2.702 20 10 HFCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1Nc1nc(=O)[nH]c2[nH]c(=O)[nH]c21)N=[N+]=[N-] ZINC001170216959 1077909761 /nfs/dbraw/zinc/90/97/61/1077909761.db2.gz IONKUUXNTPOFQL-POHAHGRESA-N 0 0 411.382 2.685 20 10 HFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nnn(CC2CCCC2)c1C ZINC000790011604 1077911977 /nfs/dbraw/zinc/91/19/77/1077911977.db2.gz WCKGTTQWVVMAFG-UHFFFAOYSA-N 0 0 420.897 2.951 20 10 HFCDRN COCn1nc(C)c(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000790018143 1077915213 /nfs/dbraw/zinc/91/52/13/1077915213.db2.gz RCPWLMJPMUHMEK-UHFFFAOYSA-N 0 0 406.552 2.819 20 10 HFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 ZINC000790072058 1077921950 /nfs/dbraw/zinc/92/19/50/1077921950.db2.gz WCEWFMFLUMSOED-UHFFFAOYSA-N 0 0 406.529 2.862 20 10 HFCDRN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1c(F)ccc(O)c1O ZINC000790066222 1077937414 /nfs/dbraw/zinc/93/74/14/1077937414.db2.gz ZEBFRUKGSAUZSM-UVTDQMKNSA-N 0 0 402.403 2.703 20 10 HFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000790233572 1077982201 /nfs/dbraw/zinc/98/22/01/1077982201.db2.gz KHJIYGQGXIOEIF-QFIPXVFZSA-N 0 0 420.473 2.982 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)N3CCc4cc(C)ccc4C3)CC2)cc1 ZINC000790261491 1077988954 /nfs/dbraw/zinc/98/89/54/1077988954.db2.gz BIUPXBWGXUYDPG-UHFFFAOYSA-N 0 0 408.546 2.894 20 10 HFCDRN C[C@H](Cn1ncc2ccccc21)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000790309009 1078000003 /nfs/dbraw/zinc/00/00/03/1078000003.db2.gz IUCOBRRDAWGCLO-XLIONFOSSA-N 0 0 419.529 2.691 20 10 HFCDRN COc1ccc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(O)c1 ZINC000792888845 1078017643 /nfs/dbraw/zinc/01/76/43/1078017643.db2.gz JULKSCODJFRJSS-IBGZPJMESA-N 0 0 419.909 2.927 20 10 HFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC ZINC000790415317 1078021560 /nfs/dbraw/zinc/02/15/60/1078021560.db2.gz DEKDSJVFCFHYLC-UHFFFAOYSA-N 0 0 414.505 2.526 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2F)C[C@@H](C)O1 ZINC000792958169 1078035549 /nfs/dbraw/zinc/03/55/49/1078035549.db2.gz WPICZDWADWZUSW-CHWSQXEVSA-N 0 0 420.872 2.743 20 10 HFCDRN Cc1nn(C)c(CNCc2ccc(N3CCC(CO)CC3)cc2)c1Br ZINC000790468488 1078038484 /nfs/dbraw/zinc/03/84/84/1078038484.db2.gz SXGOIWOJAYSJJL-UHFFFAOYSA-N 0 0 407.356 2.990 20 10 HFCDRN COC1(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCC1 ZINC000790488128 1078042544 /nfs/dbraw/zinc/04/25/44/1078042544.db2.gz JPPZIQUBJRRJNH-UHFFFAOYSA-N 0 0 413.497 2.518 20 10 HFCDRN COc1ccc(CNC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)c(O)c1 ZINC000792992106 1078042837 /nfs/dbraw/zinc/04/28/37/1078042837.db2.gz KTJSFBFUHXZWCT-OAHLLOKOSA-N 0 0 415.490 2.744 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000806239469 1079517423 /nfs/dbraw/zinc/51/74/23/1079517423.db2.gz PVIBLUCCFHCESD-OAQYLSRUSA-N 0 0 409.534 2.783 20 10 HFCDRN C[C@@]1(c2ccccc2)CN(C(=O)C(=O)NCCCSc2nccs2)CCO1 ZINC000806275663 1079538338 /nfs/dbraw/zinc/53/83/38/1079538338.db2.gz PKSBMBSIIMQVQA-IBGZPJMESA-N 0 0 405.545 2.516 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000806277195 1079539366 /nfs/dbraw/zinc/53/93/66/1079539366.db2.gz SKXBQKWSSQHUGQ-OAHLLOKOSA-N 0 0 404.561 2.527 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000806276697 1079539443 /nfs/dbraw/zinc/53/94/43/1079539443.db2.gz JYTQSCNSUSWCQA-UHFFFAOYSA-N 0 0 400.529 2.808 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000806287561 1079572629 /nfs/dbraw/zinc/57/26/29/1079572629.db2.gz GSWWCOIHYZGZBV-RBBKRZOGSA-N 0 0 409.530 2.995 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000806428284 1079672583 /nfs/dbraw/zinc/67/25/83/1079672583.db2.gz RXBREZURDHQTIF-FQEVSTJZSA-N 0 0 421.501 2.791 20 10 HFCDRN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]1 ZINC000806444052 1079714568 /nfs/dbraw/zinc/71/45/68/1079714568.db2.gz ZFOCKMGKEJAWQO-LLVKDONJSA-N 0 0 412.416 2.529 20 10 HFCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806458309 1079728730 /nfs/dbraw/zinc/72/87/30/1079728730.db2.gz XTCGCTACBBQDPS-SJKOYZFVSA-N 0 0 419.419 2.648 20 10 HFCDRN Cc1n[nH]cc1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000806458277 1079728770 /nfs/dbraw/zinc/72/87/70/1079728770.db2.gz XDKZRBGVBLKTGV-UHFFFAOYSA-N 0 0 415.513 2.908 20 10 HFCDRN Cc1noc(C(C)(C)NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000806457460 1079730842 /nfs/dbraw/zinc/73/08/42/1079730842.db2.gz MMYIJCZJVLLVIP-BETUJISGSA-N 0 0 405.474 2.865 20 10 HFCDRN CNC(=O)COc1ccc(NC(=O)NCc2cc(Br)ccc2O)c(C)c1 ZINC000806505419 1079754774 /nfs/dbraw/zinc/75/47/74/1079754774.db2.gz ZKJHKEHJSZWGGR-UHFFFAOYSA-N 0 0 422.279 2.910 20 10 HFCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N1CCC[C@@H]2C[C@@H]21 ZINC000806507061 1079757487 /nfs/dbraw/zinc/75/74/87/1079757487.db2.gz GLNIDXDVXIDEKV-XLIONFOSSA-N 0 0 410.497 2.636 20 10 HFCDRN CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806541780 1079780346 /nfs/dbraw/zinc/78/03/46/1079780346.db2.gz LUZGRFCUOWZJRI-PXNSSMCTSA-N 0 0 402.539 2.675 20 10 HFCDRN CNS(=O)(=O)c1cc(NC(=O)NCc2c(O)ccc3c2CCCC3)ccc1F ZINC000806546887 1079785616 /nfs/dbraw/zinc/78/56/16/1079785616.db2.gz ZVVQMCIMUOQXAG-UHFFFAOYSA-N 0 0 407.467 2.640 20 10 HFCDRN C[C@@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000806613992 1079855335 /nfs/dbraw/zinc/85/53/35/1079855335.db2.gz GQXJFFFNHBMTSD-MRXNPFEDSA-N 0 0 404.470 2.968 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)CC2)cc1 ZINC000806683275 1079911069 /nfs/dbraw/zinc/91/10/69/1079911069.db2.gz FCFGZSLJUGNRRC-LJQANCHMSA-N 0 0 418.538 2.926 20 10 HFCDRN COc1cccc2c1OC[C@@H](NC(=O)NCc1cc(Br)ccc1O)C2 ZINC000806723547 1079946488 /nfs/dbraw/zinc/94/64/88/1079946488.db2.gz BUDVTXFJYCDHOA-AWEZNQCLSA-N 0 0 407.264 2.966 20 10 HFCDRN CNC(=O)c1cccc(NC(=O)NCc2ccc(OC)cc2O)c1Br ZINC000806734802 1079961420 /nfs/dbraw/zinc/96/14/20/1079961420.db2.gz DZFXJMXVWVTFFC-UHFFFAOYSA-N 0 0 408.252 2.845 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1scc(C)c1C(=O)OC ZINC000806846323 1080030841 /nfs/dbraw/zinc/03/08/41/1080030841.db2.gz KDMQDKWUFRMQOF-UHFFFAOYSA-N 0 0 403.504 2.896 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2nc(C3CCOCC3)cs2)cc1 ZINC000806846573 1080030855 /nfs/dbraw/zinc/03/08/55/1080030855.db2.gz SXPQKIGNYQHHTD-UHFFFAOYSA-N 0 0 402.520 2.700 20 10 HFCDRN O=C(NCc1nnc(-c2ccccc2)[nH]1)NCc1cc(Br)ccc1O ZINC000806850555 1080034881 /nfs/dbraw/zinc/03/48/81/1080034881.db2.gz QVHDXMLNIFQHRB-UHFFFAOYSA-N 0 0 402.252 2.939 20 10 HFCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000806840503 1080052923 /nfs/dbraw/zinc/05/29/23/1080052923.db2.gz QZMISULUVDUHSX-UHFFFAOYSA-N 0 0 409.412 2.602 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2F)C[C@H](C)O1 ZINC000747361579 1080058021 /nfs/dbraw/zinc/05/80/21/1080058021.db2.gz TVBPYYBULOXKBT-GQIGUUNPSA-N 0 0 413.497 2.515 20 10 HFCDRN Cn1ncc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1-c1ccccc1 ZINC000806878418 1080076968 /nfs/dbraw/zinc/07/69/68/1080076968.db2.gz KWMMJETUQGLRSS-UHFFFAOYSA-N 0 0 403.486 2.724 20 10 HFCDRN COc1cccc(CNC(=O)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1O ZINC000806907478 1080113184 /nfs/dbraw/zinc/11/31/84/1080113184.db2.gz LZQKYKQKVTZBCT-UHFFFAOYSA-N 0 0 401.419 2.918 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCO[C@@H](C)C3)cc2Cl)C1 ZINC000806957587 1080122197 /nfs/dbraw/zinc/12/21/97/1080122197.db2.gz VANMCRODGRAIAY-HLLBOEOZSA-N 0 0 407.942 2.876 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000806989717 1080168804 /nfs/dbraw/zinc/16/88/04/1080168804.db2.gz OOUXDNBGKFWQHJ-UHFFFAOYSA-N 0 0 405.502 2.599 20 10 HFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)C2)cc1 ZINC001130826506 1080237502 /nfs/dbraw/zinc/23/75/02/1080237502.db2.gz AZUBYHHPQNJFMK-RTWAWAEBSA-N 0 0 421.541 2.871 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@@H](C)CCSC ZINC000807058523 1080240482 /nfs/dbraw/zinc/24/04/82/1080240482.db2.gz AYLPSUIOQUDTMG-NSHDSACASA-N 0 0 403.342 2.761 20 10 HFCDRN COc1ccc(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c(O)c1 ZINC000807070739 1080252829 /nfs/dbraw/zinc/25/28/29/1080252829.db2.gz XAOZLGJLPGPGEH-LLVKDONJSA-N 0 0 412.364 2.985 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000807090200 1080270226 /nfs/dbraw/zinc/27/02/26/1080270226.db2.gz OMMNPLGGDLONCY-QFIPXVFZSA-N 0 0 409.530 2.995 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccc(Cl)cc1 ZINC000807095976 1080273704 /nfs/dbraw/zinc/27/37/04/1080273704.db2.gz HKMMLQTUASZPOZ-LJQANCHMSA-N 0 0 403.910 2.835 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000807096849 1080274143 /nfs/dbraw/zinc/27/41/43/1080274143.db2.gz VDTKQVUXKMDMKP-IBGZPJMESA-N 0 0 415.559 2.947 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000807099004 1080276633 /nfs/dbraw/zinc/27/66/33/1080276633.db2.gz IDTTUWBHDWAWMH-HSZRJFAPSA-N 0 0 423.557 2.966 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000807098463 1080277206 /nfs/dbraw/zinc/27/72/06/1080277206.db2.gz WHGZDAZCCZJERK-UHFFFAOYSA-N 0 0 401.457 2.803 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000807100406 1080279890 /nfs/dbraw/zinc/27/98/90/1080279890.db2.gz KKOXXAXUMOLVHE-SFHVURJKSA-N 0 0 414.937 2.726 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000807103208 1080282932 /nfs/dbraw/zinc/28/29/32/1080282932.db2.gz LNTFUWJCNJPPHQ-KRWDZBQOSA-N 0 0 414.575 2.644 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nc2cccc(Cl)c2n1C ZINC000807103321 1080282977 /nfs/dbraw/zinc/28/29/77/1080282977.db2.gz OUMVPSIKPXVSGB-UHFFFAOYSA-N 0 0 413.909 2.534 20 10 HFCDRN Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000807108601 1080286929 /nfs/dbraw/zinc/28/69/29/1080286929.db2.gz ZRHHKYJDXQMBNO-OAHLLOKOSA-N 0 0 401.898 2.690 20 10 HFCDRN C[C@@H](NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000807139662 1080299489 /nfs/dbraw/zinc/29/94/89/1080299489.db2.gz GDGLIGOBWOPYSH-AEFFLSMTSA-N 0 0 416.547 2.576 20 10 HFCDRN CC1(C)[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)[C@H]2CCO[C@H]21 ZINC000807195684 1080344148 /nfs/dbraw/zinc/34/41/48/1080344148.db2.gz LAEBJXRJCKBIRK-MISYRCLQSA-N 0 0 400.519 2.983 20 10 HFCDRN Cc1ccc([C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000807242238 1080398940 /nfs/dbraw/zinc/39/89/40/1080398940.db2.gz HAJXVPANHVHFEL-LJQANCHMSA-N 0 0 409.530 2.710 20 10 HFCDRN COc1cc(N2CCN(C(=O)Cc3ccc(C)nc3Cl)CC2)cc(OC)c1OC ZINC000807247405 1080405121 /nfs/dbraw/zinc/40/51/21/1080405121.db2.gz VEJYJBSNBPLIGV-UHFFFAOYSA-N 0 0 419.909 2.961 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)Oc1ccc(Cl)cc1 ZINC000807286940 1080448895 /nfs/dbraw/zinc/44/88/95/1080448895.db2.gz FRJFRRNTYXHEEH-INIZCTEOSA-N 0 0 413.905 2.916 20 10 HFCDRN COC[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(Cl)cc1 ZINC000807288275 1080450785 /nfs/dbraw/zinc/45/07/85/1080450785.db2.gz VCAHGMCTZIFGSH-FQEVSTJZSA-N 0 0 413.905 2.836 20 10 HFCDRN Cc1cc([C@H]2CN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CCO2)ccc1F ZINC000807289050 1080454083 /nfs/dbraw/zinc/45/40/83/1080454083.db2.gz HGZHVXGUGRBKQF-JOCHJYFZSA-N 0 0 423.488 2.727 20 10 HFCDRN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C12CCCCC2 ZINC000807290010 1080454800 /nfs/dbraw/zinc/45/48/00/1080454800.db2.gz BEXIOMUATGBUPQ-NHCUHLMSSA-N 0 0 411.546 2.923 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000807291110 1080457136 /nfs/dbraw/zinc/45/71/36/1080457136.db2.gz FZLVHROWLANVRB-UHFFFAOYSA-N 0 0 419.403 2.736 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000807290760 1080457634 /nfs/dbraw/zinc/45/76/34/1080457634.db2.gz NNQQCVOADLNHDN-OAQYLSRUSA-N 0 0 407.539 2.996 20 10 HFCDRN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290773 1080457641 /nfs/dbraw/zinc/45/76/41/1080457641.db2.gz NXMLEERJSMYDEC-RUZDIDTESA-N 0 0 421.541 2.869 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCCCSC ZINC000807264742 1080470808 /nfs/dbraw/zinc/47/08/08/1080470808.db2.gz QOSREPUAAGVVBC-UHFFFAOYSA-N 0 0 403.342 2.763 20 10 HFCDRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292012 1080479310 /nfs/dbraw/zinc/47/93/10/1080479310.db2.gz RWEVDWGGEOMNOM-NRFANRHFSA-N 0 0 418.541 2.806 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000807291407 1080479687 /nfs/dbraw/zinc/47/96/87/1080479687.db2.gz JCAHQULMZXIYGC-OXQOHEQNSA-N 0 0 411.527 2.729 20 10 HFCDRN Cc1ccccc1OCCCN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291651 1080479749 /nfs/dbraw/zinc/47/97/49/1080479749.db2.gz LHTIFORBPVDPEE-UHFFFAOYSA-N 0 0 407.514 2.915 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000807291430 1080480326 /nfs/dbraw/zinc/48/03/26/1080480326.db2.gz KERDVEIPSNYWKW-UHFFFAOYSA-N 0 0 411.452 2.805 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000807293855 1080482458 /nfs/dbraw/zinc/48/24/58/1080482458.db2.gz CCGPEYDHVMADFJ-LJQANCHMSA-N 0 0 412.534 2.972 20 10 HFCDRN Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000807307591 1080501493 /nfs/dbraw/zinc/50/14/93/1080501493.db2.gz BSGJHJZKUKNBKB-INIZCTEOSA-N 0 0 412.534 2.988 20 10 HFCDRN Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)n(C(C)(C)C)n1 ZINC000807385190 1080580890 /nfs/dbraw/zinc/58/08/90/1080580890.db2.gz DGOXJUCMKILOQD-UHFFFAOYSA-N 0 0 409.284 2.670 20 10 HFCDRN Cc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000807387094 1080581556 /nfs/dbraw/zinc/58/15/56/1080581556.db2.gz YTGVLQCVMIRCSC-UHFFFAOYSA-N 0 0 408.208 2.626 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCc3cc(C)cc(C)c3)CC2)cc1 ZINC000807427645 1080589015 /nfs/dbraw/zinc/58/90/15/1080589015.db2.gz ZQXUZDYSTKKJAA-UHFFFAOYSA-N 0 0 409.530 2.710 20 10 HFCDRN C[C@H](NC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000807512373 1080718726 /nfs/dbraw/zinc/71/87/26/1080718726.db2.gz UVUQBNVCRBXCJF-QWMSRCPPSA-N 0 0 409.530 2.876 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000807541801 1080757581 /nfs/dbraw/zinc/75/75/81/1080757581.db2.gz UKJQEVVITNLZSG-GOSISDBHSA-N 0 0 416.488 2.936 20 10 HFCDRN Cc1cccc(F)c1CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000807516040 1080768502 /nfs/dbraw/zinc/76/85/02/1080768502.db2.gz CONZHMHFVHCDMU-KRWDZBQOSA-N 0 0 400.450 2.664 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000807527719 1080780794 /nfs/dbraw/zinc/78/07/94/1080780794.db2.gz YGTQQLDKVHEMIX-HXUWFJFHSA-N 0 0 422.595 2.632 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000807590499 1080801829 /nfs/dbraw/zinc/80/18/29/1080801829.db2.gz QSFXKDKFRSHWRC-FQEVSTJZSA-N 0 0 423.513 2.751 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)c(O)c1 ZINC000793017300 1078050288 /nfs/dbraw/zinc/05/02/88/1078050288.db2.gz OZWSEKZKRRDATF-APWZRJJASA-N 0 0 421.856 2.965 20 10 HFCDRN COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000793032027 1078052164 /nfs/dbraw/zinc/05/21/64/1078052164.db2.gz PUSMAGRXABYLAS-QFBILLFUSA-N 0 0 403.866 2.825 20 10 HFCDRN COc1ccc(Cn2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)cn2)cc1 ZINC000793033681 1078052352 /nfs/dbraw/zinc/05/23/52/1078052352.db2.gz VKDPTZMTMDQXTL-MRXNPFEDSA-N 0 0 421.501 2.822 20 10 HFCDRN COc1ccc(N2CCN(C(=O)CSC[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000790568910 1078057690 /nfs/dbraw/zinc/05/76/90/1078057690.db2.gz LASKZRMZBURDMU-SFHVURJKSA-N 0 0 404.532 2.563 20 10 HFCDRN CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCc2ccccc2O)CC1 ZINC000790543140 1078059203 /nfs/dbraw/zinc/05/92/03/1078059203.db2.gz QRUYLHWFMYIYRF-UHFFFAOYSA-N 0 0 400.454 2.912 20 10 HFCDRN COc1ccc(CNC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c(O)c1 ZINC000793101670 1078077364 /nfs/dbraw/zinc/07/73/64/1078077364.db2.gz CZYXWOVAHWPGLI-CJNGLKHVSA-N 0 0 423.510 2.961 20 10 HFCDRN O=C(c1cccc(O)c1O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000790617238 1078077582 /nfs/dbraw/zinc/07/75/82/1078077582.db2.gz CVNRIHTZWIQLRL-UHFFFAOYSA-N 0 0 400.866 2.747 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H](O)Cc1ccccc1 ZINC000793103791 1078078166 /nfs/dbraw/zinc/07/81/66/1078078166.db2.gz VCEXXSKTRHLVRE-IBGZPJMESA-N 0 0 408.420 2.762 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3csc(C(F)(F)F)n3)cc2)C1 ZINC000793131625 1078086823 /nfs/dbraw/zinc/08/68/23/1078086823.db2.gz KPEJXWYMBFHACL-LBPRGKRZSA-N 0 0 412.437 2.794 20 10 HFCDRN COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc21 ZINC000793133669 1078087034 /nfs/dbraw/zinc/08/70/34/1078087034.db2.gz XIFJTFLRGMZGSD-HNNXBMFYSA-N 0 0 424.476 2.947 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000790679918 1078088792 /nfs/dbraw/zinc/08/87/92/1078088792.db2.gz ZVPSOPFCDIOYGX-ACJLOTCBSA-N 0 0 401.438 2.701 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c(C)n1-c1ccc(C)cc1 ZINC000790687679 1078097093 /nfs/dbraw/zinc/09/70/93/1078097093.db2.gz VPGDSZMDKVUFNM-XMMPIXPASA-N 0 0 422.481 2.741 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)OC4(CCOCC4)C3)CC2)cc1 ZINC000790700508 1078099868 /nfs/dbraw/zinc/09/98/68/1078099868.db2.gz BCFZYHSUJSMCAX-KRWDZBQOSA-N 0 0 403.523 2.644 20 10 HFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cc1cccc(C(F)F)c1)cc2=O ZINC000790706177 1078101482 /nfs/dbraw/zinc/10/14/82/1078101482.db2.gz XNHGTHKLHNSPRD-UHFFFAOYSA-N 0 0 405.357 2.835 20 10 HFCDRN CN(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000793239801 1078108163 /nfs/dbraw/zinc/10/81/63/1078108163.db2.gz GQGPNMUDLJCSMT-UHFFFAOYSA-N 0 0 415.559 2.786 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)c3csc(C(F)(F)F)n3)CC2)cc1 ZINC000793247448 1078109539 /nfs/dbraw/zinc/10/95/39/1078109539.db2.gz OSXOFPKZGNCACP-UHFFFAOYSA-N 0 0 414.453 2.723 20 10 HFCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCO[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000790790799 1078135637 /nfs/dbraw/zinc/13/56/37/1078135637.db2.gz KRWPLRVELRLPGW-MRXNPFEDSA-N 0 0 403.391 2.588 20 10 HFCDRN CS(=O)(=O)c1ccccc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000790832276 1078160096 /nfs/dbraw/zinc/16/00/96/1078160096.db2.gz WLBGBNCYLONABW-UHFFFAOYSA-N 0 0 406.467 2.981 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC4(CCC4)[C@H]3C3CC3)CC2)cc1 ZINC000793444560 1078173236 /nfs/dbraw/zinc/17/32/36/1078173236.db2.gz RNHBZLOSUZBWSW-JJNABOQBSA-N 0 0 409.530 2.691 20 10 HFCDRN C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000793591908 1078217620 /nfs/dbraw/zinc/21/76/20/1078217620.db2.gz SZLYYVPLKFQHJY-QWRGUYRKSA-N 0 0 422.161 2.804 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793653037 1078226567 /nfs/dbraw/zinc/22/65/67/1078226567.db2.gz BZMVXCVQPHBNMD-UHFFFAOYSA-N 0 0 405.502 2.603 20 10 HFCDRN COc1ccc(N2CCN(C(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)cc1F ZINC000793630508 1078233846 /nfs/dbraw/zinc/23/38/46/1078233846.db2.gz CJXZKPKWLVEGLT-UHFFFAOYSA-N 0 0 403.498 2.568 20 10 HFCDRN COc1cccc(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1O ZINC000793689903 1078249615 /nfs/dbraw/zinc/24/96/15/1078249615.db2.gz PXRSABPVWBZBCG-QZTJIDSGSA-N 0 0 421.453 2.609 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000793747152 1078289653 /nfs/dbraw/zinc/28/96/53/1078289653.db2.gz JZTUTXYVEDPJKT-GHTZIAJQSA-N 0 0 413.493 2.792 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1F ZINC000793747154 1078289672 /nfs/dbraw/zinc/28/96/72/1078289672.db2.gz JZTUTXYVEDPJKT-NQIIRXRSSA-N 0 0 413.493 2.792 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000793748338 1078289677 /nfs/dbraw/zinc/28/96/77/1078289677.db2.gz LGXUXEKCBNDADN-FYYLOGMGSA-N 0 0 419.525 2.963 20 10 HFCDRN C[C@@H](Cc1ccsc1)NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000793793464 1078299059 /nfs/dbraw/zinc/29/90/59/1078299059.db2.gz VCVXZTLSNDPJOQ-YJBOKZPZSA-N 0 0 402.516 2.709 20 10 HFCDRN COCCOC1CCC(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CC1 ZINC000793770586 1078307226 /nfs/dbraw/zinc/30/72/26/1078307226.db2.gz CTQPNPRIKIJMAZ-UHFFFAOYSA-N 0 0 413.898 2.769 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000793936787 1078351788 /nfs/dbraw/zinc/35/17/88/1078351788.db2.gz ISQFJTKXPBSAOL-KRWDZBQOSA-N 0 0 413.493 2.541 20 10 HFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cn4cccn4)on3)cc2F)C[C@H](C)O1 ZINC000794238757 1078390323 /nfs/dbraw/zinc/39/03/23/1078390323.db2.gz LZOGKNRNWRSZQY-GJZGRUSLSA-N 0 0 413.453 2.602 20 10 HFCDRN COC(=O)[C@]12CN(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C[C@H]1COCC2 ZINC000794240572 1078390726 /nfs/dbraw/zinc/39/07/26/1078390726.db2.gz LUJRNUBMZRSLDL-KSFYIVLOSA-N 0 0 400.450 2.885 20 10 HFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000794241653 1078390921 /nfs/dbraw/zinc/39/09/21/1078390921.db2.gz KVMNWHBBHSCTLE-CRAIPNDOSA-N 0 0 409.486 2.537 20 10 HFCDRN COc1ccc(CNC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)c(O)c1 ZINC000794376997 1078430762 /nfs/dbraw/zinc/43/07/62/1078430762.db2.gz DUBQOUADNYRPNL-UHFFFAOYSA-N 0 0 413.455 2.674 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c(O)c1 ZINC000794379343 1078431520 /nfs/dbraw/zinc/43/15/20/1078431520.db2.gz MEVMUNPXHVTVGN-KRWDZBQOSA-N 0 0 400.450 2.637 20 10 HFCDRN COc1ccc(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c(O)c1 ZINC000794381420 1078432217 /nfs/dbraw/zinc/43/22/17/1078432217.db2.gz NESLVONOPMYESD-CQSZACIVSA-N 0 0 416.478 2.778 20 10 HFCDRN COc1ccc(CNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c(O)c1 ZINC000794381411 1078432231 /nfs/dbraw/zinc/43/22/31/1078432231.db2.gz NBBGBDNSXZJBBQ-UNOMPAQXSA-N 0 0 417.425 2.962 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(O)c1 ZINC000794387017 1078432956 /nfs/dbraw/zinc/43/29/56/1078432956.db2.gz CGIZUVAENUCXRM-GOSISDBHSA-N 0 0 413.430 2.538 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c(O)c1 ZINC000794388465 1078433554 /nfs/dbraw/zinc/43/35/54/1078433554.db2.gz VCUGJYXZEVCJJD-CQSZACIVSA-N 0 0 419.275 2.833 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c(O)c1 ZINC000794390547 1078434262 /nfs/dbraw/zinc/43/42/62/1078434262.db2.gz LDMRGGOITIXSJQ-UHFFFAOYSA-N 0 0 424.544 2.813 20 10 HFCDRN COc1ccc(N2CCN(CCNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc1 ZINC000804388503 1078447544 /nfs/dbraw/zinc/44/75/44/1078447544.db2.gz WSBOWYWQCJORGO-UHFFFAOYSA-N 0 0 401.423 2.746 20 10 HFCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000804409102 1078457997 /nfs/dbraw/zinc/45/79/97/1078457997.db2.gz JZIOIVMJWOPHMV-FPOVZHCZSA-N 0 0 401.551 2.957 20 10 HFCDRN CNC(=O)c1cncc(/C=C\C(=O)N2CCN(C)c3cc(Br)ccc32)c1 ZINC000804440899 1078505645 /nfs/dbraw/zinc/50/56/45/1078505645.db2.gz UBXTZZJHRAZZDH-UTCJRWHESA-N 0 0 415.291 2.700 20 10 HFCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000804724122 1078562719 /nfs/dbraw/zinc/56/27/19/1078562719.db2.gz JLWRJELAEKCLLN-NHCUHLMSSA-N 0 0 401.551 2.813 20 10 HFCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000804724121 1078562743 /nfs/dbraw/zinc/56/27/43/1078562743.db2.gz JLWRJELAEKCLLN-LEWJYISDSA-N 0 0 401.551 2.813 20 10 HFCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000804545559 1078573302 /nfs/dbraw/zinc/57/33/02/1078573302.db2.gz ZYTCRMRZAZHTAO-CTNGQTDRSA-N 0 0 401.551 2.957 20 10 HFCDRN Cc1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000804732212 1078590251 /nfs/dbraw/zinc/59/02/51/1078590251.db2.gz HMAAKHQROAUPMZ-UHFFFAOYSA-N 0 0 408.502 2.962 20 10 HFCDRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cc(Br)ccc1O ZINC000804734329 1078592690 /nfs/dbraw/zinc/59/26/90/1078592690.db2.gz IHEAEBIMSVBFFV-WBMJQRKESA-N 0 0 412.328 2.991 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cc(Cl)ccc1-n1cnnn1 ZINC000804736447 1078595174 /nfs/dbraw/zinc/59/51/74/1078595174.db2.gz STIIPJRSXNJGPF-UHFFFAOYSA-N 0 0 408.643 2.714 20 10 HFCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000804737094 1078595648 /nfs/dbraw/zinc/59/56/48/1078595648.db2.gz FDPQAKAACCOKAJ-JTQLQIEISA-N 0 0 416.268 2.772 20 10 HFCDRN O=C(NCCCN1CCCCC1=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000804777690 1078601924 /nfs/dbraw/zinc/60/19/24/1078601924.db2.gz DDLVTSJRYAIERM-UHFFFAOYSA-N 0 0 415.534 2.572 20 10 HFCDRN COc1cc(N2CCN(c3nnc(-c4ccon4)s3)CC2)cc(OC)c1OC ZINC000804614091 1078663657 /nfs/dbraw/zinc/66/36/57/1078663657.db2.gz SGPODMACZVKHOI-UHFFFAOYSA-N 0 0 403.464 2.546 20 10 HFCDRN O=S(=O)(NCC1CC1)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000804828034 1078668261 /nfs/dbraw/zinc/66/82/61/1078668261.db2.gz GOGOVAXKOSQRRB-UHFFFAOYSA-N 0 0 412.309 2.850 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2cc(F)ccc2F)cc1F ZINC000804850636 1078719076 /nfs/dbraw/zinc/71/90/76/1078719076.db2.gz NMMBDUINEBSEIP-UHFFFAOYSA-N 0 0 407.436 2.925 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2csc([C@@H](C)OC)n2)cc1F ZINC000804852561 1078721443 /nfs/dbraw/zinc/72/14/43/1078721443.db2.gz BTRTVBCINJVEDA-CYBMUJFWSA-N 0 0 422.526 2.768 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000804853430 1078723705 /nfs/dbraw/zinc/72/37/05/1078723705.db2.gz PQDRNLFREVPPJD-IBGZPJMESA-N 0 0 412.509 2.774 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H](CCOC)C2)cc1F ZINC000804854097 1078725259 /nfs/dbraw/zinc/72/52/59/1078725259.db2.gz YEZZKLHCLLQZKG-KRWDZBQOSA-N 0 0 407.530 2.953 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)c2c(C)noc2C)cc1F ZINC000804852934 1078725389 /nfs/dbraw/zinc/72/53/89/1078725389.db2.gz 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CCN(CC)c1ccc(CNS(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000804957535 1078797930 /nfs/dbraw/zinc/79/79/30/1078797930.db2.gz LJOORQQEPLIWNO-UHFFFAOYSA-N 0 0 415.357 2.816 20 10 HFCDRN C[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000804970097 1078806509 /nfs/dbraw/zinc/80/65/09/1078806509.db2.gz MBYMXWVMWGFBGQ-ZDUSSCGKSA-N 0 0 415.437 2.977 20 10 HFCDRN Cc1ncc(CN(C)C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000805025020 1078838546 /nfs/dbraw/zinc/83/85/46/1078838546.db2.gz ZLVOEQLRVGNZCU-UHFFFAOYSA-N 0 0 400.548 2.963 20 10 HFCDRN CCOCCC1(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805026751 1078838568 /nfs/dbraw/zinc/83/85/68/1078838568.db2.gz ZKGKNXKUTFQNCA-UHFFFAOYSA-N 0 0 401.551 2.862 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000805023692 1078834735 /nfs/dbraw/zinc/83/47/35/1078834735.db2.gz KGHFWTWAQLABOO-TZIWHRDSSA-N 0 0 401.551 2.549 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](c4nccn4C)C3)cc2)CC1 ZINC000805024058 1078837222 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20 10 HFCDRN Cc1cc(C(=O)COC(=O)C(C)(C)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000805703185 1079224387 /nfs/dbraw/zinc/22/43/87/1079224387.db2.gz MBNRCZBNWCCMGS-UHFFFAOYSA-N 0 0 418.515 2.904 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1cnn(C)c1 ZINC000805731112 1079238868 /nfs/dbraw/zinc/23/88/68/1079238868.db2.gz AHSRXVJFNKGLLJ-HUUCEWRRSA-N 0 0 417.941 2.803 20 10 HFCDRN Cc1cc(CCNC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000805790581 1079257015 /nfs/dbraw/zinc/25/70/15/1079257015.db2.gz BNWNRYWCXIRSLH-KRWDZBQOSA-N 0 0 403.548 2.902 20 10 HFCDRN Cc1cc(C(=O)CN2CC[C@@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000805807858 1079284307 /nfs/dbraw/zinc/28/43/07/1079284307.db2.gz OBVGHKMHSHEEGM-GOSISDBHSA-N 0 0 423.513 2.950 20 10 HFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c(F)cncc1F ZINC000805861493 1079308031 /nfs/dbraw/zinc/30/80/31/1079308031.db2.gz SATNKBBDIBHUDL-DZGCQCFKSA-N 0 0 417.460 2.622 20 10 HFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1c(F)cncc1F ZINC000805861499 1079308038 /nfs/dbraw/zinc/30/80/38/1079308038.db2.gz SATNKBBDIBHUDL-UKRRQHHQSA-N 0 0 417.460 2.622 20 10 HFCDRN CCNC(=O)COc1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000806187180 1079478297 /nfs/dbraw/zinc/47/82/97/1079478297.db2.gz LCAWMBPNFUQDKU-UHFFFAOYSA-N 0 0 422.279 2.991 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)c2C)cc1 ZINC000787331280 1076744028 /nfs/dbraw/zinc/74/40/28/1076744028.db2.gz KTZWHBVSSYJXTM-KPLVRAHFSA-N 0 0 423.513 2.649 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000787318067 1076760649 /nfs/dbraw/zinc/76/06/49/1076760649.db2.gz DMVYMQDARVUVRP-UHFFFAOYSA-N 0 0 421.541 2.982 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3[nH]c(-c4ccccc4)nc3C)cc2)CC1 ZINC000787321067 1076763263 /nfs/dbraw/zinc/76/32/63/1076763263.db2.gz CXAXGEJJKUMOLC-UHFFFAOYSA-N 0 0 417.513 2.984 20 10 HFCDRN COC(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)[C@@H]1C 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C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000789855442 1077839737 /nfs/dbraw/zinc/83/97/37/1077839737.db2.gz RFIGOQIXDUBTDT-LSTHTHJFSA-N 0 0 401.576 2.893 20 10 HFCDRN CCCN(C[C@@H]1CCCCO1)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789860913 1077841889 /nfs/dbraw/zinc/84/18/89/1077841889.db2.gz NWZWBRFOLYSHED-FQEVSTJZSA-N 0 0 419.591 2.664 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000789862988 1077842374 /nfs/dbraw/zinc/84/23/74/1077842374.db2.gz JMTBPHFTYUYOFW-UHFFFAOYSA-N 0 0 403.548 2.507 20 10 HFCDRN CCC1(CC)[C@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1OC ZINC000789867476 1077843714 /nfs/dbraw/zinc/84/37/14/1077843714.db2.gz GHWVPTXVYKNHLX-RTBURBONSA-N 0 0 419.591 2.566 20 10 HFCDRN Cc1cc(F)ccc1CCNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789868413 1077843958 /nfs/dbraw/zinc/84/39/58/1077843958.db2.gz NJXBCICTMRAMLX-UHFFFAOYSA-N 0 0 415.534 2.662 20 10 HFCDRN COc1ccc(N2CCN(C(=O)[C@H](CCS(C)(=O)=O)c3ccccc3)CC2)cc1 ZINC000789869086 1077844481 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/nfs/dbraw/zinc/54/35/77/1079543577.db2.gz QYBIBPYWMTUKBV-UHFFFAOYSA-N 0 0 412.606 2.854 20 10 HFCDRN CCO[C@H]1C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C12CCCCC2 ZINC000806281836 1079544521 /nfs/dbraw/zinc/54/45/21/1079544521.db2.gz ADJGTPXWKLGVGG-CABCVRRESA-N 0 0 411.593 2.986 20 10 HFCDRN COc1ccccc1C1(CNC(=O)C(=O)NCCCSc2nccs2)CCC1 ZINC000806281870 1079544551 /nfs/dbraw/zinc/54/45/51/1079544551.db2.gz AVIRDVJCZJZVHK-UHFFFAOYSA-N 0 0 419.572 2.988 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000806281518 1079544577 /nfs/dbraw/zinc/54/45/77/1079544577.db2.gz AXZFKSZQJHIXKJ-HXUWFJFHSA-N 0 0 417.556 2.790 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806287559 1079572619 /nfs/dbraw/zinc/57/26/19/1079572619.db2.gz GSWWCOIHYZGZBV-IRLDBZIGSA-N 0 0 409.530 2.995 20 10 HFCDRN O=C(NCCOC1CCCCCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000806330551 1079602656 /nfs/dbraw/zinc/60/26/56/1079602656.db2.gz QGRKJSIMLBTBND-FQEVSTJZSA-N 0 0 418.534 2.755 20 10 HFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806458305 1079728864 /nfs/dbraw/zinc/72/88/64/1079728864.db2.gz XTCGCTACBBQDPS-PXAZEXFGSA-N 0 0 419.419 2.648 20 10 HFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000806458137 1079729337 /nfs/dbraw/zinc/72/93/37/1079729337.db2.gz VPZZNUZNHLEQFS-WBMJQRKESA-N 0 0 405.392 2.524 20 10 HFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCC=C(c4ccco4)C3)cc2)C1 ZINC000806495373 1079745500 /nfs/dbraw/zinc/74/55/00/1079745500.db2.gz FXTVORFQPZOANU-LJQANCHMSA-N 0 0 408.502 2.980 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000806477407 1079762648 /nfs/dbraw/zinc/76/26/48/1079762648.db2.gz JASUNODOSHTXBH-GOSISDBHSA-N 0 0 407.605 2.600 20 10 HFCDRN NC(=O)C[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)C1 ZINC000806553306 1079816987 /nfs/dbraw/zinc/81/69/87/1079816987.db2.gz MFBRPVILTOHLBO-DNVCBOLYSA-N 0 0 405.458 2.931 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806593573 1079836721 /nfs/dbraw/zinc/83/67/21/1079836721.db2.gz CNVPLLFUDRNGJM-UHFFFAOYSA-N 0 0 402.926 2.897 20 10 HFCDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000806634397 1079889692 /nfs/dbraw/zinc/88/96/92/1079889692.db2.gz GSYBTYRSMGTOPE-KRWDZBQOSA-N 0 0 405.502 2.774 20 10 HFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(-n2cccn2)c1 ZINC000806636407 1079892322 /nfs/dbraw/zinc/89/23/22/1079892322.db2.gz NDGCOVJNTZIJKZ-SFHVURJKSA-N 0 0 415.497 2.742 20 10 HFCDRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806685769 1079913507 /nfs/dbraw/zinc/91/35/07/1079913507.db2.gz YFQQMXAYDSLMGB-QGZVFWFLSA-N 0 0 419.522 2.532 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806696289 1079919082 /nfs/dbraw/zinc/91/90/82/1079919082.db2.gz ARWAYRWNFPBCEA-SFHVURJKSA-N 0 0 404.507 2.713 20 10 HFCDRN Cc1nnc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)s1 ZINC000806726629 1079949667 /nfs/dbraw/zinc/94/96/67/1079949667.db2.gz AWWHAJHNSFACSC-GFCCVEGCSA-N 0 0 421.954 2.669 20 10 HFCDRN CNC(=O)c1cccc(NC(=O)NCc2cc(OC)ccc2O)c1Br ZINC000806735906 1079963095 /nfs/dbraw/zinc/96/30/95/1079963095.db2.gz DHVLJLICDHUEBS-UHFFFAOYSA-N 0 0 408.252 2.845 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCC3CCC(F)(F)CC3)CC2)cc1 ZINC000806769603 1079988606 /nfs/dbraw/zinc/98/86/06/1079988606.db2.gz LVSCOXFPNVIQPB-UHFFFAOYSA-N 0 0 409.477 2.676 20 10 HFCDRN COC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccc(C)o1 ZINC000806782487 1080007475 /nfs/dbraw/zinc/00/74/75/1080007475.db2.gz MQYDWVWWRUKYAR-SFHVURJKSA-N 0 0 412.442 2.919 20 10 HFCDRN CCc1ccc([C@H](COC)NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000806792834 1080013577 /nfs/dbraw/zinc/01/35/77/1080013577.db2.gz FYRNOMDYPSYQRZ-IBGZPJMESA-N 0 0 401.507 2.760 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000806806501 1080022193 /nfs/dbraw/zinc/02/21/93/1080022193.db2.gz NWVXUKSAGCQERJ-SFHVURJKSA-N 0 0 413.518 2.948 20 10 HFCDRN O=C(Nc1nc(C2CC2)cs1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000806843137 1080029341 /nfs/dbraw/zinc/02/93/41/1080029341.db2.gz DJBCXIOZBPSZJV-OAHLLOKOSA-N 0 0 401.488 2.872 20 10 HFCDRN Cc1nc(C)c(CCNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000805270251 1080050267 /nfs/dbraw/zinc/05/02/67/1080050267.db2.gz SJBLOFLLGWIDIG-UHFFFAOYSA-N 0 0 413.499 2.946 20 10 HFCDRN Cn1ncc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1-c1ccccc1 ZINC000806840989 1080054431 /nfs/dbraw/zinc/05/44/31/1080054431.db2.gz TUDCVCXEMFAVRC-UHFFFAOYSA-N 0 0 403.486 2.942 20 10 HFCDRN Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)N(C)Cc2ccccc2O)c1=O ZINC000806855543 1080059807 /nfs/dbraw/zinc/05/98/07/1080059807.db2.gz PWXYHZAEWJOANU-UHFFFAOYSA-N 0 0 423.444 2.647 20 10 HFCDRN CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000806857570 1080061089 /nfs/dbraw/zinc/06/10/89/1080061089.db2.gz YKYIHCBRZSIUMY-UHFFFAOYSA-N 0 0 422.529 2.974 20 10 HFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806880368 1080078570 /nfs/dbraw/zinc/07/85/70/1080078570.db2.gz RPOQESGZTUVBDG-UHFFFAOYSA-N 0 0 400.232 2.958 20 10 HFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806879939 1080079034 /nfs/dbraw/zinc/07/90/34/1080079034.db2.gz LEGJCCAYNOWUAK-UHFFFAOYSA-N 0 0 418.169 2.823 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000806885806 1080082432 /nfs/dbraw/zinc/08/24/32/1080082432.db2.gz IRBIFWSMZMYGIB-LLVKDONJSA-N 0 0 405.476 2.567 20 10 HFCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806921772 1080089671 /nfs/dbraw/zinc/08/96/71/1080089671.db2.gz USTOXIZFAAGUQB-UHFFFAOYSA-N 0 0 410.396 2.587 20 10 HFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c1 ZINC000806898084 1080105649 /nfs/dbraw/zinc/10/56/49/1080105649.db2.gz ULIBUYCSVNLRFE-LLVKDONJSA-N 0 0 412.364 2.985 20 10 HFCDRN C[C@H](Oc1ccccc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F ZINC000806960164 1080127800 /nfs/dbraw/zinc/12/78/00/1080127800.db2.gz WUPRFYLKRUTZSU-NSHDSACASA-N 0 0 412.364 2.725 20 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000807294921 1080485226 /nfs/dbraw/zinc/48/52/26/1080485226.db2.gz ILPALNRPPQCRMH-LJQANCHMSA-N 0 0 411.550 2.552 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2nc(C)c(C)s2)cc1 ZINC000807333686 1080533673 /nfs/dbraw/zinc/53/36/73/1080533673.db2.gz NKDCANHXAOTUKU-UHFFFAOYSA-N 0 0 402.564 2.923 20 10 HFCDRN CO[C@@H]1Cc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc2C1 ZINC000807386588 1080581975 /nfs/dbraw/zinc/58/19/75/1080581975.db2.gz BEGOTESCWBZCNM-MRXNPFEDSA-N 0 0 419.275 2.523 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000807387215 1080582232 /nfs/dbraw/zinc/58/22/32/1080582232.db2.gz DKMRCNBENBDVIG-UHFFFAOYSA-N 0 0 415.247 2.800 20 10 HFCDRN CCCCn1ncc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1C ZINC000807386897 1080582971 /nfs/dbraw/zinc/58/29/71/1080582971.db2.gz OVHJLMONUIDHNO-UHFFFAOYSA-N 0 0 409.284 2.715 20 10 HFCDRN Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)nn1[C@@H](C)C1CC1 ZINC000807387742 1080584309 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HFCDRN CCOC(=O)CSc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000790517904 1078049329 /nfs/dbraw/zinc/04/93/29/1078049329.db2.gz IWBXPYZRKFATKO-UHFFFAOYSA-N 0 0 412.512 2.781 20 10 HFCDRN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C(=O)OC)C1 ZINC000793065294 1078060683 /nfs/dbraw/zinc/06/06/83/1078060683.db2.gz JHHKXDYKPRIZPJ-WBMJQRKESA-N 0 0 402.413 2.698 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000793070302 1078062363 /nfs/dbraw/zinc/06/23/63/1078062363.db2.gz CPMWLUGRAYZGGG-UHFFFAOYSA-N 0 0 413.449 2.585 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cnc4n3CCCC4)cc2F)C[C@@H](C)O1 ZINC000790671592 1078086298 /nfs/dbraw/zinc/08/62/98/1078086298.db2.gz HWYQQIPPZYKJRB-HZPDHXFCSA-N 0 0 415.513 2.972 20 10 HFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cc1ccc(Cl)c(F)c1)cc2=O ZINC000790719331 1078107403 /nfs/dbraw/zinc/10/74/03/1078107403.db2.gz ZWTZOSCNDFSVRI-UHFFFAOYSA-N 0 0 407.785 2.690 20 10 HFCDRN CC(C)C[C@@H](O)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000746945963 1078150937 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2.953 20 10 HFCDRN Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000794241445 1078390982 /nfs/dbraw/zinc/39/09/82/1078390982.db2.gz GLRZLQOCQUXAJC-LJQANCHMSA-N 0 0 411.550 2.641 20 10 HFCDRN CCOC(=O)c1ccn(-c2cccc(CNC(=O)/C=C/c3ccc(O)c(O)c3)c2)n1 ZINC000794265625 1078396276 /nfs/dbraw/zinc/39/62/76/1078396276.db2.gz MNRLANGNGFQTHC-VQHVLOKHSA-N 0 0 407.426 2.790 20 10 HFCDRN COCc1nc2sc(C(=O)NCc3ccc(OC)cc3O)c(C)c2c(OC)n1 ZINC000794377966 1078431293 /nfs/dbraw/zinc/43/12/93/1078431293.db2.gz OABUSPZMMKLDDB-UHFFFAOYSA-N 0 0 403.460 2.799 20 10 HFCDRN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(O)c1 ZINC000794381073 1078431534 /nfs/dbraw/zinc/43/15/34/1078431534.db2.gz KABNQCGJNFSLHP-UHFFFAOYSA-N 0 0 424.906 2.769 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(O)c1 ZINC000794383395 1078432668 /nfs/dbraw/zinc/43/26/68/1078432668.db2.gz LZZQWSQSLRIUIU-CYBMUJFWSA-N 0 0 404.850 2.732 20 10 HFCDRN Cc1ccc(C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000804689770 1078529894 /nfs/dbraw/zinc/52/98/94/1078529894.db2.gz JJJWEBUOIYDCLU-UHFFFAOYSA-N 0 0 423.557 2.884 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(OCC2CC2)nc1 ZINC001129549488 1078540639 /nfs/dbraw/zinc/54/06/39/1078540639.db2.gz NBBFBUKHGZLIBN-UHFFFAOYSA-N 0 0 403.429 2.915 20 10 HFCDRN CP(C)(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC001129549968 1078541758 /nfs/dbraw/zinc/54/17/58/1078541758.db2.gz YPIPZBULRVLLEX-UHFFFAOYSA-N 0 0 408.385 2.979 20 10 HFCDRN CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccn1 ZINC000804702998 1078568511 /nfs/dbraw/zinc/56/85/11/1078568511.db2.gz PBCGRAGZBWDHLO-ICSRJNTNSA-N 0 0 411.502 2.952 20 10 HFCDRN COc1ccc(C(=O)NCCCC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804739636 1078574908 /nfs/dbraw/zinc/57/49/08/1078574908.db2.gz MUIOQAFPWFMFHQ-UHFFFAOYSA-N 0 0 421.291 2.990 20 10 HFCDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1cc(Br)ccc1O ZINC000804739523 1078575284 /nfs/dbraw/zinc/57/52/84/1078575284.db2.gz IKPYCFDGIJCTTO-UHFFFAOYSA-N 0 0 405.208 2.729 20 10 HFCDRN CCn1cc(-c2nn(C)cc2C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804735599 1078593073 /nfs/dbraw/zinc/59/30/73/1078593073.db2.gz FSHNRZZNWXZRHF-UHFFFAOYSA-N 0 0 404.268 2.702 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000804735292 1078593756 /nfs/dbraw/zinc/59/37/56/1078593756.db2.gz SYABULIUXTUJOI-UHFFFAOYSA-N 0 0 407.264 2.916 20 10 HFCDRN CN(C)C(=O)COc1ccccc1C(=O)NCc1cc(Br)ccc1O ZINC000804735977 1078594820 /nfs/dbraw/zinc/59/48/20/1078594820.db2.gz IYNNUMJDQFVKTJ-UHFFFAOYSA-N 0 0 407.264 2.552 20 10 HFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804737759 1078596049 /nfs/dbraw/zinc/59/60/49/1078596049.db2.gz PRMHSTHMMRPDNO-CYBMUJFWSA-N 0 0 401.326 2.863 20 10 HFCDRN Cc1cc(=O)c(C(=O)NCc2cc(Br)ccc2O)nn1-c1ccccc1 ZINC000804737903 1078597665 /nfs/dbraw/zinc/59/76/65/1078597665.db2.gz UEHXWDSZHBVJHT-UHFFFAOYSA-N 0 0 414.259 2.939 20 10 HFCDRN Cc1ccccc1C1=NO[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001129660070 1078621008 /nfs/dbraw/zinc/62/10/08/1078621008.db2.gz HXRRHGAOCSLQJD-HXUWFJFHSA-N 0 0 415.440 2.919 20 10 HFCDRN Cc1ncsc1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000804618067 1078667538 /nfs/dbraw/zinc/66/75/38/1078667538.db2.gz MCPNFLPKEOSMTL-UHFFFAOYSA-N 0 0 412.515 2.956 20 10 HFCDRN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(N(C)C)cc1 ZINC000804843243 1078682344 /nfs/dbraw/zinc/68/23/44/1078682344.db2.gz HOVDOIDELVRMLA-PBHICJAKSA-N 0 0 416.472 2.603 20 10 HFCDRN CCn1[nH]c(C)nc1=NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC001129727049 1078676991 /nfs/dbraw/zinc/67/69/91/1078676991.db2.gz IVYRWOFVNFPOBS-RAXLEYEMSA-N 0 0 421.573 2.710 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)CCc2cccn2C)cc1F ZINC000804852843 1078720845 /nfs/dbraw/zinc/72/08/45/1078720845.db2.gz HELDBQZJEDZYCT-INIZCTEOSA-N 0 0 402.514 2.764 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(CCOC)[C@@H]2CC[C@@H](C)C2)cc1F ZINC000804852460 1078721825 /nfs/dbraw/zinc/72/18/25/1078721825.db2.gz AWZMMYUAZQZWDD-SJLPKXTDSA-N 0 0 407.530 2.952 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC([C@H]3CCCO3)CC2)cc1F ZINC000804852293 1078722363 /nfs/dbraw/zinc/72/23/63/1078722363.db2.gz GEKNZCQGTSYRQX-HXUWFJFHSA-N 0 0 405.514 2.706 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc1F ZINC000804852177 1078722469 /nfs/dbraw/zinc/72/24/69/1078722469.db2.gz BVSWRYJEWLYVOE-APWZRJJASA-N 0 0 407.530 2.998 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccncc2OC)cc1F ZINC000804852061 1078722894 /nfs/dbraw/zinc/72/28/94/1078722894.db2.gz YCFZMRXIYJZLOU-AWEZNQCLSA-N 0 0 402.470 2.569 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1F ZINC000804853049 1078724753 /nfs/dbraw/zinc/72/47/53/1078724753.db2.gz RYFVRDALSDPZJG-UHFFFAOYSA-N 0 0 424.520 2.981 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)C3(CNC(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001129990611 1078756305 /nfs/dbraw/zinc/75/63/05/1078756305.db2.gz DNHPAMVFEJRCPU-MRXNPFEDSA-N 0 0 403.523 2.943 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000804967308 1078804058 /nfs/dbraw/zinc/80/40/58/1078804058.db2.gz NEJSJGTWXPOKMX-KRWDZBQOSA-N 0 0 402.461 2.595 20 10 HFCDRN O=C(NCCn1cc(Br)cn1)NCc1ccc(N2CCSCC2)cc1 ZINC000804969456 1078805294 /nfs/dbraw/zinc/80/52/94/1078805294.db2.gz QBTDRIHVVRHKJC-UHFFFAOYSA-N 0 0 424.368 2.698 20 10 HFCDRN CC(C)OC1CCN(C(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000805019327 1078830840 /nfs/dbraw/zinc/83/08/40/1078830840.db2.gz DYSZHIZHLIXXEW-UHFFFAOYSA-N 0 0 401.551 2.955 20 10 HFCDRN CO[C@@H](CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(F)(F)F ZINC000805024360 1078836893 /nfs/dbraw/zinc/83/68/93/1078836893.db2.gz SIHWBHKIQARNAM-KRWDZBQOSA-N 0 0 415.456 2.623 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)cc2)CC1 ZINC000805024155 1078837228 /nfs/dbraw/zinc/83/72/28/1078837228.db2.gz BUOMZKSDALFMSL-UHFFFAOYSA-N 0 0 409.534 2.668 20 10 HFCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nccs1 ZINC000805025882 1078837680 /nfs/dbraw/zinc/83/76/80/1078837680.db2.gz XRQVYLMVGWNTKF-MRXNPFEDSA-N 0 0 400.548 2.916 20 10 HFCDRN COCCCONC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000805045566 1078860510 /nfs/dbraw/zinc/86/05/10/1078860510.db2.gz SYTNWKVTTAXMKP-QBFSEMIESA-N 0 0 400.547 2.814 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1F ZINC000805095487 1078884244 /nfs/dbraw/zinc/88/42/44/1078884244.db2.gz YKLARFDRVIVJQO-UHFFFAOYSA-N 0 0 404.408 2.588 20 10 HFCDRN C[C@@H](OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1nccn1C ZINC000805167237 1078956924 /nfs/dbraw/zinc/95/69/24/1078956924.db2.gz CTZHSQXDALNJFM-BZUAXINKSA-N 0 0 404.486 2.567 20 10 HFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001130149698 1079033763 /nfs/dbraw/zinc/03/37/63/1079033763.db2.gz OOLQEZAWZKGZIJ-HXUWFJFHSA-N 0 0 422.934 2.777 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccccc3S[C@@H](C)C(N)=O)C2)cc1 ZINC001130185653 1079078526 /nfs/dbraw/zinc/07/85/26/1079078526.db2.gz NNCTWWBOONMAGB-HOTGVXAUSA-N 0 0 413.543 2.917 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3[C@H]4C[C@H]4CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001130185606 1079078581 /nfs/dbraw/zinc/07/85/81/1079078581.db2.gz MREOFPWPIVHBGB-CPLUKWAASA-N 0 0 415.534 2.893 20 10 HFCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OC3CC3)CC2)cc1 ZINC000805724426 1079236868 /nfs/dbraw/zinc/23/68/68/1079236868.db2.gz ISASGMGNSJKUPW-UHFFFAOYSA-N 0 0 410.470 2.742 20 10 HFCDRN Cc1cccc(CCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000805759887 1079262637 /nfs/dbraw/zinc/26/26/37/1079262637.db2.gz ULMYPOHDBHMAJZ-IBGZPJMESA-N 0 0 409.534 2.524 20 10 HFCDRN O=C(CN1Cc2cccc(Cl)c2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000805805886 1079282191 /nfs/dbraw/zinc/28/21/91/1079282191.db2.gz VMJHUGPVXAIREL-UHFFFAOYSA-N 0 0 403.885 2.948 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000805845804 1079321782 /nfs/dbraw/zinc/32/17/82/1079321782.db2.gz ZIZJUXAGWIRGAG-SFHVURJKSA-N 0 0 416.488 2.937 20 10 HFCDRN CN(C)C(=O)COc1ccc(NC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000806187576 1079479588 /nfs/dbraw/zinc/47/95/88/1079479588.db2.gz RIFUSIZNUZPYRR-UHFFFAOYSA-N 0 0 422.279 2.943 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)c2C)cc1 ZINC000787331285 1076744518 /nfs/dbraw/zinc/74/45/18/1076744518.db2.gz KTZWHBVSSYJXTM-LRXVAGHRSA-N 0 0 423.513 2.649 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3c[nH]nc3-c3ccsc3)cc2)CC1 ZINC000787319164 1076762723 /nfs/dbraw/zinc/76/27/23/1076762723.db2.gz LDXVIFJJMGQCOC-UHFFFAOYSA-N 0 0 409.515 2.737 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](O)c3ccc(Cl)cc3)cc2)CC1 ZINC000787320422 1076762930 /nfs/dbraw/zinc/76/29/30/1076762930.db2.gz UCVWJAJOOBILBS-NRFANRHFSA-N 0 0 415.921 2.748 20 10 HFCDRN CC(=O)Nc1c(C)cccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000787321809 1076763824 /nfs/dbraw/zinc/76/38/24/1076763824.db2.gz KHEVTMKKMWZBJI-UHFFFAOYSA-N 0 0 408.502 2.552 20 10 HFCDRN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000787328219 1076772093 /nfs/dbraw/zinc/77/20/93/1076772093.db2.gz QCRYFHGLEMCFBL-BEFAXECRSA-N 0 0 413.543 2.889 20 10 HFCDRN Cc1ccc(-n2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cn2)c(C)c1 ZINC000787405506 1076809647 /nfs/dbraw/zinc/80/96/47/1076809647.db2.gz DOFPSPZIFFXRSA-UHFFFAOYSA-N 0 0 400.460 2.819 20 10 HFCDRN COc1cccc(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)c1O ZINC000787443238 1076812525 /nfs/dbraw/zinc/81/25/25/1076812525.db2.gz CHTFXONVLKQICC-CQSZACIVSA-N 0 0 416.478 2.778 20 10 HFCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000787453210 1076816934 /nfs/dbraw/zinc/81/69/34/1076816934.db2.gz KRIYKMWQMMOTRS-UHFFFAOYSA-N 0 0 423.517 2.992 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000787456822 1076818188 /nfs/dbraw/zinc/81/81/88/1076818188.db2.gz RFSYUQSPVZHHKI-UHFFFAOYSA-N 0 0 406.486 2.592 20 10 HFCDRN COCc1ccc(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000787506876 1076829138 /nfs/dbraw/zinc/82/91/38/1076829138.db2.gz XRICSAPJZFLBDC-UHFFFAOYSA-N 0 0 408.454 2.977 20 10 HFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC(C)C ZINC000787475236 1076835580 /nfs/dbraw/zinc/83/55/80/1076835580.db2.gz VWVHYOQFNFGPIC-UHFFFAOYSA-N 0 0 411.502 2.874 20 10 HFCDRN C[C@@H](OC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)c1nnnn1C ZINC000787638179 1076891553 /nfs/dbraw/zinc/89/15/53/1076891553.db2.gz NDNCVSJSGBCHON-QSARLWQPSA-N 0 0 423.545 2.557 20 10 HFCDRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)c(C)n1-c1ccccn1 ZINC000787798419 1076948901 /nfs/dbraw/zinc/94/89/01/1076948901.db2.gz KLUMYLBWALVPSR-UHFFFAOYSA-N 0 0 413.499 2.816 20 10 HFCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000787828573 1076955725 /nfs/dbraw/zinc/95/57/25/1076955725.db2.gz FQPQNTYGFFLFEU-QGZVFWFLSA-N 0 0 424.545 2.556 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000787872324 1076968745 /nfs/dbraw/zinc/96/87/45/1076968745.db2.gz AVAISKBCFCTZQO-MRXNPFEDSA-N 0 0 422.529 2.903 20 10 HFCDRN O=S(=O)(CCC1Cc2ccccc2C1)NCc1ccc(N2CCOCC2)cc1 ZINC000787920418 1076996865 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/nfs/dbraw/zinc/08/74/22/1080087422.db2.gz HFDYKXZFUOTUGR-LBPRGKRZSA-N 0 0 410.446 2.777 20 10 HFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)c1O ZINC000806906639 1080111989 /nfs/dbraw/zinc/11/19/89/1080111989.db2.gz BMIRSTMBHJTEHH-UHFFFAOYSA-N 0 0 414.792 2.953 20 10 HFCDRN CC(=O)OC(C)(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000806946319 1080155689 /nfs/dbraw/zinc/15/56/89/1080155689.db2.gz UQXCWTVEESDNDB-QGZVFWFLSA-N 0 0 407.511 2.776 20 10 HFCDRN C[C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000807011690 1080209825 /nfs/dbraw/zinc/20/98/25/1080209825.db2.gz HCKWRXYHCGEKPM-PMPSAXMXSA-N 0 0 409.477 2.925 20 10 HFCDRN COc1ccc(N2CCN(C(=O)c3cnc4c(F)cc(F)cc4c3O)CC2)cc1F ZINC000807032647 1080225117 /nfs/dbraw/zinc/22/51/17/1080225117.db2.gz MGIPWQNRCMWBDL-UHFFFAOYSA-N 0 0 417.387 2.916 20 10 HFCDRN COc1ccc(N2CC[C@@H](NC(=O)CSc3ccc4c(c3)OCCO4)C2)cc1 ZINC001130827102 1080238667 /nfs/dbraw/zinc/23/86/67/1080238667.db2.gz SMEAPAJUEWCJJL-OAHLLOKOSA-N 0 0 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1080354669 /nfs/dbraw/zinc/35/46/69/1080354669.db2.gz RGSQIRRTSKOCPM-LPHOPBHVSA-N 0 0 405.564 2.524 20 10 HFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[S@](=O)CC(F)(F)F)ccc21 ZINC001130874236 1080355754 /nfs/dbraw/zinc/35/57/54/1080355754.db2.gz SDDYMWOFWFMGKL-MHZLTWQESA-N 0 0 404.454 2.945 20 10 HFCDRN CCCC[C@H](COC)NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000807239954 1080393845 /nfs/dbraw/zinc/39/38/45/1080393845.db2.gz FYXCPWQDWVCEAB-OAHLLOKOSA-N 0 0 415.328 2.825 20 10 HFCDRN COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807281605 1080441662 /nfs/dbraw/zinc/44/16/62/1080441662.db2.gz XYKIZDQBQQBBPU-GOSISDBHSA-N 0 0 400.866 2.916 20 10 HFCDRN COc1ccc([C@H]2CCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cc1 ZINC000807287891 1080452185 /nfs/dbraw/zinc/45/21/85/1080452185.db2.gz NLYOGTSJVJPIKQ-FQEVSTJZSA-N 0 0 405.498 2.704 20 10 HFCDRN COc1cc(C)c(CN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC ZINC000807287668 1080452245 /nfs/dbraw/zinc/45/22/45/1080452245.db2.gz LWAQSVOCGJXXEG-UHFFFAOYSA-N 0 0 423.513 2.663 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000807288594 1080454814 /nfs/dbraw/zinc/45/48/14/1080454814.db2.gz YDRHSONYAHXVBN-QFIPXVFZSA-N 0 0 419.525 2.744 20 10 HFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000807289769 1080456109 /nfs/dbraw/zinc/45/61/09/1080456109.db2.gz IQVRMWNPOFESTG-INIZCTEOSA-N 0 0 417.469 2.606 20 10 HFCDRN Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1C ZINC000807289440 1080456559 /nfs/dbraw/zinc/45/65/59/1080456559.db2.gz UYJVZKSNEPXIPH-UHFFFAOYSA-N 0 0 418.541 2.645 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000807290289 1080457177 /nfs/dbraw/zinc/45/71/77/1080457177.db2.gz SRIHERIQCNEGOG-IBGZPJMESA-N 0 0 422.504 2.603 20 10 HFCDRN CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CC2 ZINC000807296746 1080490640 /nfs/dbraw/zinc/49/06/40/1080490640.db2.gz HASZHXAWXFJCGL-LJQANCHMSA-N 0 0 423.561 2.695 20 10 HFCDRN CCOC(=O)c1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O 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COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCc4cc(C)ccc4O3)CC2)cc1 ZINC000793245914 1078109201 /nfs/dbraw/zinc/10/92/01/1078109201.db2.gz DARUGPKZIYBWJL-QHCPKHFHSA-N 0 0 409.530 2.636 20 10 HFCDRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793206944 1078105727 /nfs/dbraw/zinc/10/57/27/1078105727.db2.gz DLUGVNMCMOSHDO-OAHLLOKOSA-N 0 0 408.506 2.550 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c(C)n1-c1ccccc1C ZINC000790683783 1078110248 /nfs/dbraw/zinc/11/02/48/1078110248.db2.gz RGABEEXEHIUCGU-XMMPIXPASA-N 0 0 422.481 2.741 20 10 HFCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@H](C)S(=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000790799646 1078139045 /nfs/dbraw/zinc/13/90/45/1078139045.db2.gz IPEOBDOIJSXRNS-YUMQZZPRSA-N 0 0 422.257 2.620 20 10 HFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)c1 ZINC000790853956 1078151168 /nfs/dbraw/zinc/15/11/68/1078151168.db2.gz XUBVWMGUFFIJEW-UHFFFAOYSA-N 0 0 408.495 2.522 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C2CC2)cc1 ZINC000793659824 1078242940 /nfs/dbraw/zinc/24/29/40/1078242940.db2.gz AIJWIAGCNKBORC-UHFFFAOYSA-N 0 0 417.513 2.746 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)cc2Cl)C1 ZINC000793675556 1078250850 /nfs/dbraw/zinc/25/08/50/1078250850.db2.gz FETKBLRVBJLIOB-RDJZCZTQSA-N 0 0 407.942 2.735 20 10 HFCDRN Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000793689081 1078257438 /nfs/dbraw/zinc/25/74/38/1078257438.db2.gz JBEDKHYXCJMEPF-QGZVFWFLSA-N 0 0 404.898 2.523 20 10 HFCDRN Cc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 ZINC000793759892 1078280339 /nfs/dbraw/zinc/28/03/39/1078280339.db2.gz FNRCKQVEZSIZQM-OAQYLSRUSA-N 0 0 410.514 2.876 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCc3ccc(C)cc3C)CC2)cc1 ZINC000793764747 1078282272 /nfs/dbraw/zinc/28/22/72/1078282272.db2.gz ZADOVYFXHJSFQM-UHFFFAOYSA-N 0 0 409.530 2.710 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1F ZINC000793747158 1078289649 /nfs/dbraw/zinc/28/96/49/1078289649.db2.gz 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O=C(CNc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1)c1ccc(O)c(O)c1 ZINC001170315637 1077941514 /nfs/dbraw/zinc/94/15/14/1077941514.db2.gz DMNZBHMCYYJJRY-UHFFFAOYSA-N 0 0 423.448 2.648 20 10 HFCDRN C[C@@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000790248856 1077976350 /nfs/dbraw/zinc/97/63/50/1077976350.db2.gz DUJUYQZFUMUJLA-UZLBHIALSA-N 0 0 415.563 2.817 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cnc(OCC4CC4)cn3)cc2F)C[C@@H](C)O1 ZINC000790290215 1077987045 /nfs/dbraw/zinc/98/70/45/1077987045.db2.gz FUEMCAZZLBSMCR-HUUCEWRRSA-N 0 0 414.481 2.948 20 10 HFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000790416363 1078021793 /nfs/dbraw/zinc/02/17/93/1078021793.db2.gz VGJWJDBKCBOROG-UHFFFAOYSA-N 0 0 413.517 2.569 20 10 HFCDRN COc1ccc(Cn2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)cn2)cc1 ZINC000792988161 1078041931 /nfs/dbraw/zinc/04/19/31/1078041931.db2.gz UDPPVPXCBNXZJQ-UHFFFAOYSA-N 0 0 421.501 2.569 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000806276138 1079537761 /nfs/dbraw/zinc/53/77/61/1079537761.db2.gz IWGDWBZLEZBARY-UHFFFAOYSA-N 0 0 415.544 2.743 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000806279346 1079543597 /nfs/dbraw/zinc/54/35/97/1079543597.db2.gz LVXNMCMCHJNYLJ-HNNXBMFYSA-N 0 0 409.533 2.542 20 10 HFCDRN Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCSc3nccs3)C2)cc1 ZINC000806281916 1079543966 /nfs/dbraw/zinc/54/39/66/1079543966.db2.gz BMNRRDYAYRHXIN-MRXNPFEDSA-N 0 0 418.588 2.835 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806291387 1079579072 /nfs/dbraw/zinc/57/90/72/1079579072.db2.gz QCXDXQNLEYVZID-IFMALSPDSA-N 0 0 405.498 2.573 20 10 HFCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806440085 1079707454 /nfs/dbraw/zinc/70/74/54/1079707454.db2.gz KDNZZCKPOMHLJI-IBGZPJMESA-N 0 0 404.580 2.830 20 10 HFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[C@@H]1O ZINC000806442827 1079713268 /nfs/dbraw/zinc/71/32/68/1079713268.db2.gz KTAAVPSSJSTIGT-KRWDZBQOSA-N 0 0 415.456 2.844 20 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/nfs/dbraw/zinc/78/78/67/1079787867.db2.gz MMSVRPQTBPERRI-SFHVURJKSA-N 0 0 403.910 2.752 20 10 HFCDRN O=C(NCc1nnc(CCc2ccccc2)o1)NCc1ccc(N2CCOCC2)cc1 ZINC000806511836 1079788393 /nfs/dbraw/zinc/78/83/93/1079788393.db2.gz KMYKAEBDHOKKLS-UHFFFAOYSA-N 0 0 421.501 2.691 20 10 HFCDRN Nc1nc(C2CCCC2)ncc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000806514365 1079789403 /nfs/dbraw/zinc/78/94/03/1079789403.db2.gz WOPTZBWREBCUAF-UHFFFAOYSA-N 0 0 413.497 2.747 20 10 HFCDRN O=C(NCc1ccnc(-n2ccnc2)c1)NCc1cc(Br)ccc1O ZINC000806655985 1079874600 /nfs/dbraw/zinc/87/46/00/1079874600.db2.gz IUEYDCZQMDXPEA-UHFFFAOYSA-N 0 0 402.252 2.735 20 10 HFCDRN O=C(NCC1CCC(F)(F)CC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000806770209 1079990659 /nfs/dbraw/zinc/99/06/59/1079990659.db2.gz MBEYSYRAWANTIJ-KRWDZBQOSA-N 0 0 410.461 2.842 20 10 HFCDRN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000806852831 1080057347 /nfs/dbraw/zinc/05/73/47/1080057347.db2.gz DIKWBWFVNWELBY-UHFFFAOYSA-N 0 0 410.518 2.880 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000806928672 1080095901 /nfs/dbraw/zinc/09/59/01/1080095901.db2.gz LSYCVRIXVJQUFZ-UHFFFAOYSA-N 0 0 400.273 2.573 20 10 HFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1 ZINC000806898224 1080105683 /nfs/dbraw/zinc/10/56/83/1080105683.db2.gz YZNZPRDBRSXCCI-UHFFFAOYSA-N 0 0 401.444 2.989 20 10 HFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1 ZINC000806898085 1080105716 /nfs/dbraw/zinc/10/57/16/1080105716.db2.gz ULIBUYCSVNLRFE-NSHDSACASA-N 0 0 412.364 2.985 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCO[C@H](C)C3)cc2Cl)C1 ZINC000806957586 1080122269 /nfs/dbraw/zinc/12/22/69/1080122269.db2.gz VANMCRODGRAIAY-BFYDXBDKSA-N 0 0 407.942 2.876 20 10 HFCDRN O=C(C/C=C\c1ccc(F)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000747365123 1080124011 /nfs/dbraw/zinc/12/40/11/1080124011.db2.gz XGLRVQHWCAJXMX-UPHRSURJSA-N 0 0 402.491 2.780 20 10 HFCDRN C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2)c1ccc(N(C)C)cc1 ZINC000806985330 1080196604 /nfs/dbraw/zinc/19/66/04/1080196604.db2.gz BAURIIPCYDBEAN-NSHDSACASA-N 0 0 416.865 2.553 20 10 HFCDRN CC(=O)c1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)ccc1F ZINC000807057783 1080239926 /nfs/dbraw/zinc/23/99/26/1080239926.db2.gz IHGBOSXZGDEWIY-UHFFFAOYSA-N 0 0 409.211 2.751 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000807096383 1080275107 /nfs/dbraw/zinc/27/51/07/1080275107.db2.gz GHKOZFUDBMUBAS-HXUWFJFHSA-N 0 0 423.513 2.812 20 10 HFCDRN CCO[C@H](C)c1nc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cs1 ZINC000807100651 1080280052 /nfs/dbraw/zinc/28/00/52/1080280052.db2.gz MPVINHMBMDSKMJ-OAHLLOKOSA-N 0 0 418.563 2.890 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000807102036 1080280483 /nfs/dbraw/zinc/28/04/83/1080280483.db2.gz CBLQOXKKGLMXMA-OFJJUDJNSA-N 0 0 415.559 2.634 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000807100439 1080280500 /nfs/dbraw/zinc/28/05/00/1080280500.db2.gz NDBLTBBNPWAKSC-FQEVSTJZSA-N 0 0 417.456 2.556 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000807101532 1080280979 /nfs/dbraw/zinc/28/09/79/1080280979.db2.gz ZEPUFLMLSMNGHS-LJQANCHMSA-N 0 0 423.561 2.616 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](c1ccccc1)C(C)(C)CO ZINC000807101129 1080281413 /nfs/dbraw/zinc/28/14/13/1080281413.db2.gz QLVKTJGIEFQIII-NRFANRHFSA-N 0 0 411.546 2.596 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000807103951 1080282509 /nfs/dbraw/zinc/28/25/09/1080282509.db2.gz YSBIBILVEZJNOB-UHFFFAOYSA-N 0 0 413.909 2.534 20 10 HFCDRN CNC(=O)C[C@@H](NC(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000807196909 1080345412 /nfs/dbraw/zinc/34/54/12/1080345412.db2.gz QWZFSITUTAOFRN-OAHLLOKOSA-N 0 0 406.280 2.831 20 10 HFCDRN CCCCCn1cc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)n1 ZINC000807290619 1080419910 /nfs/dbraw/zinc/41/99/10/1080419910.db2.gz LNHAJWWJFYAMTE-UHFFFAOYSA-N 0 0 409.534 2.691 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000807290661 1080423934 /nfs/dbraw/zinc/42/39/34/1080423934.db2.gz ZKIHEGRPZLGWMW-VWLOTQADSA-N 0 0 417.509 2.727 20 10 HFCDRN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289308 1080456605 /nfs/dbraw/zinc/45/66/05/1080456605.db2.gz PMNSPIXCTTYSES-UHFFFAOYSA-N 0 0 403.404 2.755 20 10 HFCDRN CC(C)(CO)[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000807290978 1080457684 /nfs/dbraw/zinc/45/76/84/1080457684.db2.gz RJJVNGZMFLDRFN-JOCHJYFZSA-N 0 0 421.541 2.598 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000807291001 1080457708 /nfs/dbraw/zinc/45/77/08/1080457708.db2.gz RSVNWJLLUSTYBC-HXUWFJFHSA-N 0 0 419.481 2.771 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCSC[C@H]1c1ccccc1 ZINC000807290759 1080457738 /nfs/dbraw/zinc/45/77/38/1080457738.db2.gz NNQQCVOADLNHDN-NRFANRHFSA-N 0 0 407.539 2.996 20 10 HFCDRN COc1cccc(C(C)(C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000807290329 1080478784 /nfs/dbraw/zinc/47/87/84/1080478784.db2.gz UKMHQROKSWMVAF-UHFFFAOYSA-N 0 0 407.514 2.782 20 10 HFCDRN Cc1ccc(C)n1C1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807291604 1080479718 /nfs/dbraw/zinc/47/97/18/1080479718.db2.gz KYUJSGYCJNSWOG-UHFFFAOYSA-N 0 0 406.530 2.961 20 10 HFCDRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291361 1080479733 /nfs/dbraw/zinc/47/97/33/1080479733.db2.gz HQJAUVMGZJYTIM-SFHVURJKSA-N 0 0 422.504 2.555 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000807292779 1080480776 /nfs/dbraw/zinc/48/07/76/1080480776.db2.gz YIAWLDPCSUECCY-HSZRJFAPSA-N 0 0 419.525 2.539 20 10 HFCDRN CC(C)CCn1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)n1 ZINC000807385507 1080581362 /nfs/dbraw/zinc/58/13/62/1080581362.db2.gz LWSAHTUQQVDLHA-UHFFFAOYSA-N 0 0 409.284 2.652 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000807386570 1080582242 /nfs/dbraw/zinc/58/22/42/1080582242.db2.gz AUWRMKHQKRARNJ-UHFFFAOYSA-N 0 0 418.169 2.823 20 10 HFCDRN Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)nn1[C@H](C)C1CC1 ZINC000807387741 1080584240 /nfs/dbraw/zinc/58/42/40/1080584240.db2.gz UUVUTZDIDPTZCW-LLVKDONJSA-N 0 0 421.295 2.886 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807500183 1080697895 /nfs/dbraw/zinc/69/78/95/1080697895.db2.gz OWHRFTIDOFTQAM-XMMPIXPASA-N 0 0 411.546 2.904 20 10 HFCDRN COc1ccc(CNC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c(O)c1 ZINC000793074648 1078062989 /nfs/dbraw/zinc/06/29/89/1078062989.db2.gz QBKUXPQSKMFDKE-UHFFFAOYSA-N 0 0 411.502 2.681 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793164438 1078086009 /nfs/dbraw/zinc/08/60/09/1078086009.db2.gz WNYSOHSNPABGAK-GOSISDBHSA-N 0 0 403.523 2.785 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000790679919 1078088828 /nfs/dbraw/zinc/08/88/28/1078088828.db2.gz ZVPSOPFCDIOYGX-FZKQIMNGSA-N 0 0 401.438 2.701 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)CC2)cc1 ZINC000790700511 1078099861 /nfs/dbraw/zinc/09/98/61/1078099861.db2.gz BCFZYHSUJSMCAX-QGZVFWFLSA-N 0 0 403.523 2.644 20 10 HFCDRN CN(CC1CCC(NC(=O)c2cccc(O)c2O)CC1)C(=O)c1cccc(O)c1O ZINC000790721196 1078108820 /nfs/dbraw/zinc/10/88/20/1078108820.db2.gz AXQIWBOMPWKCEQ-UHFFFAOYSA-N 0 0 414.458 2.570 20 10 HFCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000790799644 1078139207 /nfs/dbraw/zinc/13/92/07/1078139207.db2.gz IPEOBDOIJSXRNS-QYZFGRQRSA-N 0 0 422.257 2.620 20 10 HFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000747117275 1078163027 /nfs/dbraw/zinc/16/30/27/1078163027.db2.gz YTUSKFDVXROMEP-UHFFFAOYSA-N 0 0 403.529 2.864 20 10 HFCDRN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCc3ccccc3O)cc2)C1=O ZINC000790887911 1078172384 /nfs/dbraw/zinc/17/23/84/1078172384.db2.gz DTIQRVGZMAKYOJ-QFIPXVFZSA-N 0 0 408.458 2.617 20 10 HFCDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCc3ccccc3O)c2)C1=O ZINC000790897508 1078176391 /nfs/dbraw/zinc/17/63/91/1078176391.db2.gz YHDDUDOWASTXCX-QFIPXVFZSA-N 0 0 408.458 2.617 20 10 HFCDRN CN1CCN(Cc2cc(Br)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604928 1078222612 /nfs/dbraw/zinc/22/26/12/1078222612.db2.gz SLZPBNRNOJPUIX-OAHLLOKOSA-N 0 0 414.344 2.795 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000793625688 1078231831 /nfs/dbraw/zinc/23/18/31/1078231831.db2.gz UIMSNJDCSHASAT-YADHBBJMSA-N 0 0 405.498 2.716 20 10 HFCDRN O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000793854625 1078324284 /nfs/dbraw/zinc/32/42/84/1078324284.db2.gz RTVMUKWWEJDVCU-CLFYSBASSA-N 0 0 421.453 2.796 20 10 HFCDRN O=C(C=Cc1ccc(O)c(O)c1)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000793854626 1078324321 /nfs/dbraw/zinc/32/43/21/1078324321.db2.gz RTVMUKWWEJDVCU-VQHVLOKHSA-N 0 0 421.453 2.796 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000793863149 1078326838 /nfs/dbraw/zinc/32/68/38/1078326838.db2.gz CWJHZPSIAHRPOC-UHFFFAOYSA-N 0 0 420.557 2.767 20 10 HFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000793877157 1078332636 /nfs/dbraw/zinc/33/26/36/1078332636.db2.gz BWNWLCMCUHCJNR-LJQANCHMSA-N 0 0 416.499 2.588 20 10 HFCDRN COc1ccc(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)c(O)c1 ZINC000794379247 1078431476 /nfs/dbraw/zinc/43/14/76/1078431476.db2.gz MZKCTQWBQGKTKG-UDWIEESQSA-N 0 0 403.438 2.883 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)c1 ZINC000794381014 1078431496 /nfs/dbraw/zinc/43/14/96/1078431496.db2.gz HYKJWKNLOYVXLI-LAUBAEHRSA-N 0 0 416.474 2.747 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c(O)c1 ZINC000794379345 1078431562 /nfs/dbraw/zinc/43/15/62/1078431562.db2.gz MEVMUNPXHVTVGN-QGZVFWFLSA-N 0 0 400.450 2.637 20 10 HFCDRN COc1ccc(CNC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000794382050 1078432001 /nfs/dbraw/zinc/43/20/01/1078432001.db2.gz WOINXPRFAAOARS-OAQYLSRUSA-N 0 0 402.422 2.768 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c(O)c1 ZINC000794388272 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O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cc(Br)ccc1O ZINC000804733668 1078591818 /nfs/dbraw/zinc/59/18/18/1078591818.db2.gz XLAZMBFTSNIXRY-WAYWQWQTSA-N 0 0 415.247 2.842 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804735854 1078594776 /nfs/dbraw/zinc/59/47/76/1078594776.db2.gz HDACFEARPCCWCU-INIZCTEOSA-N 0 0 420.219 2.872 20 10 HFCDRN O=S(=O)(c1ccc(NCc2cc(Br)ccc2O)nc1)N1CCCC1 ZINC000804828108 1078668738 /nfs/dbraw/zinc/66/87/38/1078668738.db2.gz ICXQGERVXFXWNF-UHFFFAOYSA-N 0 0 412.309 2.946 20 10 HFCDRN CC[C@@H](NC(=O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000804879248 1078704336 /nfs/dbraw/zinc/70/43/36/1078704336.db2.gz AERYLHKVURJDIQ-GOSISDBHSA-N 0 0 416.547 2.766 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(OC)c2)cc1F ZINC000804850614 1078719037 /nfs/dbraw/zinc/71/90/37/1078719037.db2.gz MVQOJTOBYWNTEP-UHFFFAOYSA-N 0 0 401.482 2.955 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)cc1F ZINC000804853763 1078723296 /nfs/dbraw/zinc/72/32/96/1078723296.db2.gz UKIBCBJLWZQPBG-LJQANCHMSA-N 0 0 417.481 2.790 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1F ZINC000804853549 1078724210 /nfs/dbraw/zinc/72/42/10/1078724210.db2.gz QWUOTMAMFRRVEP-PWIZWCRZSA-N 0 0 417.525 2.752 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000804969013 1078805641 /nfs/dbraw/zinc/80/56/41/1078805641.db2.gz NHMLAFCKMFSMKS-XTCWOQMQSA-N 0 0 421.513 2.529 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)cc2)CC1 ZINC000805023670 1078834635 /nfs/dbraw/zinc/83/46/35/1078834635.db2.gz ZPKQCXBVLMZCOH-NRFANRHFSA-N 0 0 411.502 2.732 20 10 HFCDRN C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805023936 1078834713 /nfs/dbraw/zinc/83/47/13/1078834713.db2.gz NIHMWFGEBMAIFA-NQIIRXRSSA-N 0 0 401.551 2.691 20 10 HFCDRN CO[C@]1(C)C[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1(C)C ZINC000805023106 1078835933 /nfs/dbraw/zinc/83/59/33/1078835933.db2.gz 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C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(N(C)C)cc1 ZINC000805469331 1079088499 /nfs/dbraw/zinc/08/84/99/1079088499.db2.gz DXQLZGASTKDRJA-LPHOPBHVSA-N 0 0 412.509 2.854 20 10 HFCDRN CCOC(=O)C[C@@H](OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)=O ZINC000805540957 1079130538 /nfs/dbraw/zinc/13/05/38/1079130538.db2.gz OGAAFWXDKIBRQN-OAQYLSRUSA-N 0 0 414.502 2.862 20 10 HFCDRN Cc1c(CNC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)cnn1C ZINC000805699863 1079223431 /nfs/dbraw/zinc/22/34/31/1079223431.db2.gz XJZXFCWSFIAXBA-AWEZNQCLSA-N 0 0 417.941 2.551 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000805743956 1079245112 /nfs/dbraw/zinc/24/51/12/1079245112.db2.gz YBNGIXDURFOUMU-KRWDZBQOSA-N 0 0 405.502 2.740 20 10 HFCDRN Cc1cccc(CCCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000805759888 1079262598 /nfs/dbraw/zinc/26/25/98/1079262598.db2.gz ULMYPOHDBHMAJZ-LJQANCHMSA-N 0 0 409.534 2.524 20 10 HFCDRN O=C(NCCc1cc(F)ccc1F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000805824177 1079294110 /nfs/dbraw/zinc/29/41/10/1079294110.db2.gz XLZVIDSXEHSGEB-SFHVURJKSA-N 0 0 418.440 2.537 20 10 HFCDRN CCc1cc(CNC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[nH]n1 ZINC000805851815 1079302206 /nfs/dbraw/zinc/30/22/06/1079302206.db2.gz WEXSHPSLWRHVHC-CQSZACIVSA-N 0 0 417.941 2.794 20 10 HFCDRN COCC(C)(C)CCCNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000806054164 1079400173 /nfs/dbraw/zinc/40/01/73/1079400173.db2.gz NXXDUNGZZGZPMU-UHFFFAOYSA-N 0 0 423.554 2.997 20 10 HFCDRN CC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806145393 1079466674 /nfs/dbraw/zinc/46/66/74/1079466674.db2.gz BEJDYSNSZPGVSC-YOEHRIQHSA-N 0 0 416.349 2.673 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)C(=O)NCc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 ZINC000787331180 1076744382 /nfs/dbraw/zinc/74/43/82/1076744382.db2.gz XJWSLJBWGFGBRY-QRWLVFNGSA-N 0 0 411.502 2.813 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)C(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000787331182 1076744401 /nfs/dbraw/zinc/74/44/01/1076744401.db2.gz 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ZINC000807277968 1080433611 /nfs/dbraw/zinc/43/36/11/1080433611.db2.gz DRZHCCCHJJJWAA-INIZCTEOSA-N 0 0 415.559 2.599 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccccc2)O1 ZINC000807289060 1080454093 /nfs/dbraw/zinc/45/40/93/1080454093.db2.gz HPAOUAKXIVLESP-PGRDOPGGSA-N 0 0 405.498 2.668 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1noc(-c2ccccc2)n1 ZINC000807289770 1080456101 /nfs/dbraw/zinc/45/61/01/1080456101.db2.gz IQVRMWNPOFESTG-MRXNPFEDSA-N 0 0 417.469 2.606 20 10 HFCDRN CSCc1cc(F)ccc1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292060 1080478802 /nfs/dbraw/zinc/47/88/02/1080478802.db2.gz UJIINYOMHVJOPT-UHFFFAOYSA-N 0 0 413.518 2.998 20 10 HFCDRN Cc1ccccc1[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1 ZINC000807291855 1080479333 /nfs/dbraw/zinc/47/93/33/1080479333.db2.gz PFUFCNDUFZPJEK-QFIPXVFZSA-N 0 0 405.498 2.588 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000807291899 1080479651 /nfs/dbraw/zinc/47/96/51/1080479651.db2.gz PPJPKKQWCRVQPG-NRFANRHFSA-N 0 0 418.541 2.712 20 10 HFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000747390692 1080480277 /nfs/dbraw/zinc/48/02/77/1080480277.db2.gz VTNSDLROSMDZRL-ZHRRBRCNSA-N 0 0 415.509 2.578 20 10 HFCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807309434 1080503526 /nfs/dbraw/zinc/50/35/26/1080503526.db2.gz MHMIGYVEUQOTMY-CQSZACIVSA-N 0 0 411.458 2.866 20 10 HFCDRN CC(C)CCn1nccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807387035 1080582555 /nfs/dbraw/zinc/58/25/55/1080582555.db2.gz WCGFEPGYPJDCMD-UHFFFAOYSA-N 0 0 409.284 2.652 20 10 HFCDRN COC[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C(C)C ZINC000807448071 1080627467 /nfs/dbraw/zinc/62/74/67/1080627467.db2.gz GAAQIHMQPBVTGH-FQEVSTJZSA-N 0 0 401.507 2.662 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NC[C@H](C)c3cccc(C)c3)CC2)cc1 ZINC000807470587 1080652030 /nfs/dbraw/zinc/65/20/30/1080652030.db2.gz TXABSQVRIOHSTH-IBGZPJMESA-N 0 0 409.530 2.962 20 10 HFCDRN Cc1cc(Cl)nc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000807558259 1080809150 /nfs/dbraw/zinc/80/91/50/1080809150.db2.gz WQZDDZUUZZFRMK-UHFFFAOYSA-N 0 0 400.910 2.917 20 10 HFCDRN COc1ccc(Cn2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cn2)cc1 ZINC000793033680 1078052292 /nfs/dbraw/zinc/05/22/92/1078052292.db2.gz VKDPTZMTMDQXTL-INIZCTEOSA-N 0 0 421.501 2.822 20 10 HFCDRN Cc1ccn(C[C@@](C)(O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)c(=O)c1 ZINC000790591078 1078062803 /nfs/dbraw/zinc/06/28/03/1078062803.db2.gz HZDDHWNZAQQIEW-XMMPIXPASA-N 0 0 411.546 2.993 20 10 HFCDRN O=C(Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)c1cccc(O)c1O ZINC000790631348 1078068068 /nfs/dbraw/zinc/06/80/68/1078068068.db2.gz MRISDVZMVISFCX-UHFFFAOYSA-N 0 0 411.487 2.524 20 10 HFCDRN O=C(OCCC1CS(=O)(=O)C1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000790631281 1078068130 /nfs/dbraw/zinc/06/81/30/1078068130.db2.gz LCSVPZFSXHOSLW-UHFFFAOYSA-N 0 0 418.854 2.707 20 10 HFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000790679921 1078088822 /nfs/dbraw/zinc/08/88/22/1078088822.db2.gz ZVPSOPFCDIOYGX-UGSOOPFHSA-N 0 0 401.438 2.701 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)CC2)cc1 ZINC000790702860 1078100375 /nfs/dbraw/zinc/10/03/75/1078100375.db2.gz SQOLEEDNGLQSHV-JKSBSHDWSA-N 0 0 403.523 2.642 20 10 HFCDRN COc1cc(O)c(CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000793383950 1078161488 /nfs/dbraw/zinc/16/14/88/1078161488.db2.gz JYCNMRKXNFKNNJ-SFHVURJKSA-N 0 0 421.291 2.845 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC4(CCC4)[C@H]3C3CC3)CC2)cc1 ZINC000793444559 1078173153 /nfs/dbraw/zinc/17/31/53/1078173153.db2.gz RNHBZLOSUZBWSW-DJYGDJEFSA-N 0 0 409.530 2.691 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000793465529 1078181303 /nfs/dbraw/zinc/18/13/03/1078181303.db2.gz CJLGJPILZHQTOF-UHFFFAOYSA-N 0 0 421.538 2.781 20 10 HFCDRN CO[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc4c(c3)CCCN4C)cccc21 ZINC000790921315 1078184300 /nfs/dbraw/zinc/18/43/00/1078184300.db2.gz GATWQIBTMLNFQP-HXUWFJFHSA-N 0 0 409.486 2.794 20 10 HFCDRN COc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)c1O ZINC000793618627 1078229407 /nfs/dbraw/zinc/22/94/07/1078229407.db2.gz WCECBKSMYDZNPZ-MRXNPFEDSA-N 0 0 402.495 2.928 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ccc21 ZINC000793625061 1078231009 /nfs/dbraw/zinc/23/10/09/1078231009.db2.gz OSKXMTMHHHURAX-FCHUYYIVSA-N 0 0 407.514 2.722 20 10 HFCDRN CCOC(=O)C1CCC(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000793675284 1078250100 /nfs/dbraw/zinc/25/01/00/1078250100.db2.gz MKBKLBPFKLVFMA-UHFFFAOYSA-N 0 0 421.513 2.526 20 10 HFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000793755503 1078278197 /nfs/dbraw/zinc/27/81/97/1078278197.db2.gz HSMJSDIIRSKATE-MRXNPFEDSA-N 0 0 423.517 2.794 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC1CCCCCCC1 ZINC000793754798 1078278386 /nfs/dbraw/zinc/27/83/86/1078278386.db2.gz OZNWBTBWZKBEGM-UHFFFAOYSA-N 0 0 401.551 2.958 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2cccc3c2OCCCO3)C2CC2)cc1 ZINC000793742784 1078287928 /nfs/dbraw/zinc/28/79/28/1078287928.db2.gz CUYQVLBFJPFHTR-UHFFFAOYSA-N 0 0 423.513 2.721 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)ccc21 ZINC000793743880 1078288219 /nfs/dbraw/zinc/28/82/19/1078288219.db2.gz DCCQSOBHZKYVHY-FYYLOGMGSA-N 0 0 421.541 2.969 20 10 HFCDRN CC(C)COc1ccccc1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000793739320 1078286196 /nfs/dbraw/zinc/28/61/96/1078286196.db2.gz YKJWHGZBYQBUAB-UHFFFAOYSA-N 0 0 401.482 2.859 20 10 HFCDRN Cc1ccn2cc(CNC(=O)C(=O)NCc3ccc(N4CCC(C)CC4)cc3)nc2c1 ZINC000793751160 1078291046 /nfs/dbraw/zinc/29/10/46/1078291046.db2.gz SQLWGFNZVPGJGL-UHFFFAOYSA-N 0 0 419.529 2.812 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1 ZINC000793781185 1078292404 /nfs/dbraw/zinc/29/24/04/1078292404.db2.gz GENKRCQFHRHPNW-RTWAWAEBSA-N 0 0 413.493 2.887 20 10 HFCDRN O=C(NCCc1ccc(F)cc1F)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000793823787 1078318183 /nfs/dbraw/zinc/31/81/83/1078318183.db2.gz REKSYAVRJHLXEY-SFHVURJKSA-N 0 0 418.440 2.537 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(N(C)C)cc1 ZINC000793866104 1078327598 /nfs/dbraw/zinc/32/75/98/1078327598.db2.gz XDPJXOLXECWNIR-IAGOWNOFSA-N 0 0 412.509 2.712 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000793903344 1078333535 /nfs/dbraw/zinc/33/35/35/1078333535.db2.gz FSBSIFYBCUFURZ-UHFFFAOYSA-N 0 0 410.449 2.772 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCCC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000793920206 1078338358 /nfs/dbraw/zinc/33/83/58/1078338358.db2.gz PXUCLVFJFGEEIM-QGZVFWFLSA-N 0 0 422.529 2.763 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000793939135 1078352450 /nfs/dbraw/zinc/35/24/50/1078352450.db2.gz RHTYJIXNWFCFRD-DLBZAZTESA-N 0 0 413.493 2.759 20 10 HFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000794041561 1078364235 /nfs/dbraw/zinc/36/42/35/1078364235.db2.gz JTYCBFIUKDWGFG-SOFGYWHQSA-N 0 0 418.449 2.956 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)Cc3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000794255186 1078392950 /nfs/dbraw/zinc/39/29/50/1078392950.db2.gz OFPDRFRMAUQSBK-UHFFFAOYSA-N 0 0 413.566 2.570 20 10 HFCDRN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c(O)c1 ZINC000794377081 1078430725 /nfs/dbraw/zinc/43/07/25/1078430725.db2.gz MAIOKSSOWLAPOX-UHFFFAOYSA-N 0 0 414.483 2.539 20 10 HFCDRN COc1ccc(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)c(O)c1 ZINC000794382686 1078432221 /nfs/dbraw/zinc/43/22/21/1078432221.db2.gz ZXUGTSBFLVAYPR-UHFFFAOYSA-N 0 0 417.512 2.959 20 10 HFCDRN C=Cc1ccc(CCNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000794383698 1078432735 /nfs/dbraw/zinc/43/27/35/1078432735.db2.gz PJCSUUVJALBLSZ-SEYXRHQNSA-N 0 0 419.525 2.902 20 10 HFCDRN C[C@@H](Nc1cc(S(=O)(=O)N2CCCC2)ccn1)c1ccc(N2CCOCC2)cc1 ZINC000804378300 1078454068 /nfs/dbraw/zinc/45/40/68/1078454068.db2.gz KSCAEXRWEZWOTM-QGZVFWFLSA-N 0 0 416.547 2.876 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1COc2ccc(F)cc2C1 ZINC001129549801 1078541592 /nfs/dbraw/zinc/54/15/92/1078541592.db2.gz WJRVMZVDFRRHMO-HNNXBMFYSA-N 0 0 406.404 2.808 20 10 HFCDRN Cc1csc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000804500058 1078554382 /nfs/dbraw/zinc/55/43/82/1078554382.db2.gz JQTUSLGMTJNXBC-ZBFHGGJFSA-N 0 0 403.504 2.542 20 10 HFCDRN O=C(CCn1cnc2sccc2c1=O)NCc1cc(Br)ccc1O ZINC000804739927 1078576112 /nfs/dbraw/zinc/57/61/12/1078576112.db2.gz ZBYXJKWWBXQQJE-UHFFFAOYSA-N 0 0 408.277 2.633 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000804734386 1078592677 /nfs/dbraw/zinc/59/26/77/1078592677.db2.gz CYKMZSJXZFNNDY-UHFFFAOYSA-N 0 0 413.231 2.574 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000804575180 1078616372 /nfs/dbraw/zinc/61/63/72/1078616372.db2.gz SDXFPWXITONJQV-MRXNPFEDSA-N 0 0 423.513 2.917 20 10 HFCDRN COC(=O)c1cc(C)nc(N(Cc2ccccc2O)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000804578093 1078632867 /nfs/dbraw/zinc/63/28/67/1078632867.db2.gz KSXDZFSSNXXZBR-OAHLLOKOSA-N 0 0 401.419 2.976 20 10 HFCDRN COc1c(Br)c([N+](=O)[O-])c(N2CC(O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000804837040 1078679465 /nfs/dbraw/zinc/67/94/65/1078679465.db2.gz SGEILSQDQPRTMY-UHFFFAOYSA-N 0 0 424.207 2.982 20 10 HFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000804643604 1078694070 /nfs/dbraw/zinc/69/40/70/1078694070.db2.gz BKSQPWUVPBVWPD-XDNSSPFJSA-N 0 0 408.546 2.908 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000804851752 1078720353 /nfs/dbraw/zinc/72/03/53/1078720353.db2.gz NUJCXSOJZOZCRX-GOSISDBHSA-N 0 0 405.514 2.706 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cc(C)on2)cc1F ZINC000804852205 1078722941 /nfs/dbraw/zinc/72/29/41/1078722941.db2.gz COTXYCVUWICKLK-LJQANCHMSA-N 0 0 402.470 2.948 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)cc1F ZINC000804851927 1078723276 /nfs/dbraw/zinc/72/32/76/1078723276.db2.gz 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ZINC000793899914 1078343945 /nfs/dbraw/zinc/34/39/45/1078343945.db2.gz YTTCGQKHNXWUEW-HNNXBMFYSA-N 0 0 423.492 2.879 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000793940709 1078352661 /nfs/dbraw/zinc/35/26/61/1078352661.db2.gz WITZDEISNPAQOL-JXFKEZNVSA-N 0 0 414.477 2.959 20 10 HFCDRN CCOc1cc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000794040123 1078364163 /nfs/dbraw/zinc/36/41/63/1078364163.db2.gz FTJDPVNDRZZAAH-XBXARRHUSA-N 0 0 413.430 2.767 20 10 HFCDRN COc1ccc(N2CCN(C(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)CC2)cc1 ZINC000794124237 1078374841 /nfs/dbraw/zinc/37/48/41/1078374841.db2.gz LNNPOYNGFZILDK-ROUUACIJSA-N 0 0 410.518 2.666 20 10 HFCDRN CCn1ncnc1CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000794238846 1078390313 /nfs/dbraw/zinc/39/03/13/1078390313.db2.gz PADSFKRDNAIHSY-LCYFTJDESA-N 0 0 421.573 2.657 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)CC2)cc1 ZINC000794272602 1078398013 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406.504 2.670 20 10 HFCDRN COc1cccc([C@@H]2[C@H](C(=O)NCc3ccc(OC)cc3O)CC(=O)N2C2CC2)c1 ZINC000794387855 1078433457 /nfs/dbraw/zinc/43/34/57/1078433457.db2.gz NWVYNXZGJPTOJD-DENIHFKCSA-N 0 0 410.470 2.778 20 10 HFCDRN COc1ccc(CNC(=O)c2nnn(-c3cccc(Br)c3)c2C)c(O)c1 ZINC000794387706 1078433458 /nfs/dbraw/zinc/43/34/58/1078433458.db2.gz KAEWBNUVPVZVIY-UHFFFAOYSA-N 0 0 417.263 2.982 20 10 HFCDRN COc1ccc(CNC(=O)COc2cccc(I)c2)c(O)c1 ZINC000794388502 1078433563 /nfs/dbraw/zinc/43/35/63/1078433563.db2.gz WZGCVEWOZWNOFG-UHFFFAOYSA-N 0 0 413.211 2.701 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N[C@H]1CCCc2sccc21 ZINC000804383984 1078443077 /nfs/dbraw/zinc/44/30/77/1078443077.db2.gz ZRMNIKAZKBLFGG-IBGZPJMESA-N 0 0 413.543 2.737 20 10 HFCDRN Cc1c(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cnn1-c1ccncc1 ZINC001129549490 1078541017 /nfs/dbraw/zinc/54/10/17/1078541017.db2.gz NBLMFOYVCNJTPE-UHFFFAOYSA-N 0 0 413.428 2.621 20 10 HFCDRN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCc1cc(Br)ccc1O ZINC000804739807 1078576196 /nfs/dbraw/zinc/57/61/96/1078576196.db2.gz UHMHEGKDHIJSRD-MRXNPFEDSA-N 0 0 406.280 2.621 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cc(N2CCNC2=O)ccc1F ZINC000804738990 1078574811 /nfs/dbraw/zinc/57/48/11/1078574811.db2.gz LRZKXJHYJVKXQX-UHFFFAOYSA-N 0 0 408.227 2.753 20 10 HFCDRN Cc1c(CC(=O)NCc2cc(Br)ccc2O)nnn1-c1ccccc1 ZINC000804739478 1078575276 /nfs/dbraw/zinc/57/52/76/1078575276.db2.gz HEZSJFYLJQCXBW-UHFFFAOYSA-N 0 0 401.264 2.903 20 10 HFCDRN COc1ccc(-n2nnc(C(=O)NCc3cc(Br)ccc3O)c2C)cc1 ZINC000804735228 1078593522 /nfs/dbraw/zinc/59/35/22/1078593522.db2.gz QJWZGLAZKMLHAC-UHFFFAOYSA-N 0 0 417.263 2.982 20 10 HFCDRN COC(=O)c1cc(C(=O)NCc2cc(Br)ccc2O)cc([N+](=O)[O-])c1 ZINC000804735422 1078593609 /nfs/dbraw/zinc/59/36/09/1078593609.db2.gz YKBPKNHKOYEOHM-UHFFFAOYSA-N 0 0 409.192 2.780 20 10 HFCDRN Cc1sc2ncc(C(=O)NCc3cc(Br)ccc3O)c(=O)n2c1C ZINC000804736117 1078594317 /nfs/dbraw/zinc/59/43/17/1078594317.db2.gz OBNIFDURINZZRN-UHFFFAOYSA-N 0 0 408.277 2.771 20 10 HFCDRN O=C(CCc1nc(-c2ccncc2)no1)NCc1cc(Br)ccc1O ZINC000804735850 1078594753 /nfs/dbraw/zinc/59/47/53/1078594753.db2.gz GVBRFFSMTDRHIS-UHFFFAOYSA-N 0 0 403.236 2.849 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cnn(CCO)c1-c1ccccc1 ZINC000804737362 1078595088 /nfs/dbraw/zinc/59/50/88/1078595088.db2.gz PUJUNQLGWDMCCF-UHFFFAOYSA-N 0 0 416.275 2.941 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000804739257 1078597619 /nfs/dbraw/zinc/59/76/19/1078597619.db2.gz CPOONNPDOMDUHU-IBGZPJMESA-N 0 0 419.319 2.969 20 10 HFCDRN O=C(COc1cccc(N2CCCC2=O)c1)NCc1cc(Br)ccc1O ZINC000804739694 1078597658 /nfs/dbraw/zinc/59/76/58/1078597658.db2.gz OTDFRIFVQZJJON-UHFFFAOYSA-N 0 0 419.275 2.977 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1COc2cc(F)ccc2C1 ZINC001129660644 1078620990 /nfs/dbraw/zinc/62/09/90/1078620990.db2.gz VELHISKRRRXUKK-HNNXBMFYSA-N 0 0 406.404 2.808 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1COC[C@H]1c1ccccc1 ZINC001129661076 1078621665 /nfs/dbraw/zinc/62/16/65/1078621665.db2.gz DYRRDJXYVXNMJD-ROUUACIJSA-N 0 0 402.441 2.848 20 10 HFCDRN CN(C)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc(Cl)n1 ZINC001129661442 1078622533 /nfs/dbraw/zinc/62/25/33/1078622533.db2.gz MOUZBMQNJVMYBY-UHFFFAOYSA-N 0 0 410.852 2.846 20 10 HFCDRN C[C@@H]1CCN(c2cc(C(=O)NCc3cc(F)c(N4CCOCC4)c(F)c3)ccn2)C1 ZINC001129662432 1078623908 /nfs/dbraw/zinc/62/39/08/1078623908.db2.gz ZOWJVOFXKALZPT-OAHLLOKOSA-N 0 0 416.472 2.973 20 10 HFCDRN COc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c(C)c1OC ZINC000804609481 1078654271 /nfs/dbraw/zinc/65/42/71/1078654271.db2.gz DJWUVIYZZOYCAG-UHFFFAOYSA-N 0 0 411.502 2.611 20 10 HFCDRN O=C(NCCc1ccc2c(c1)OCCO2)NCc1cc(Br)ccc1O ZINC000804859135 1078684961 /nfs/dbraw/zinc/68/49/61/1078684961.db2.gz BYATWFXXWXVGQM-UHFFFAOYSA-N 0 0 407.264 2.968 20 10 HFCDRN O=C(NCc1ccc(Cn2cncn2)cc1)NCc1cc(Br)ccc1O ZINC000804875827 1078697495 /nfs/dbraw/zinc/69/74/95/1078697495.db2.gz SVKDMNNNUNLXHR-UHFFFAOYSA-N 0 0 416.279 2.794 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCOC[C@H]2c2ccccc2)cc1F ZINC000804852083 1078723239 /nfs/dbraw/zinc/72/32/39/1078723239.db2.gz YPGQWEJNPMBUGP-NRFANRHFSA-N 0 0 413.493 2.888 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)cc1F ZINC000804851928 1078723257 /nfs/dbraw/zinc/72/32/57/1078723257.db2.gz SQXKTSXHILXCDR-LJQANCHMSA-N 0 0 415.513 2.694 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc1F ZINC000804851872 1078723306 /nfs/dbraw/zinc/72/33/06/1078723306.db2.gz RDAFFBSTJVUSPK-MSOLQXFVSA-N 0 0 407.530 2.998 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)cc1F ZINC000804853439 1078723752 /nfs/dbraw/zinc/72/37/52/1078723752.db2.gz PRWSDMBMPUIALN-UHFFFAOYSA-N 0 0 415.513 2.860 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1F ZINC000804853547 1078724226 /nfs/dbraw/zinc/72/42/26/1078724226.db2.gz QWUOTMAMFRRVEP-DBVUQKKJSA-N 0 0 417.525 2.752 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCOc2ccc(F)cc2F)cc1F ZINC000804853149 1078724272 /nfs/dbraw/zinc/72/42/72/1078724272.db2.gz LHCNRCKWIOXHBI-UHFFFAOYSA-N 0 0 423.435 2.762 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](COC)c2ccc(C)o2)cc1F ZINC000804852858 1078724856 /nfs/dbraw/zinc/72/48/56/1078724856.db2.gz PFVHBIIEXLOEFE-KRWDZBQOSA-N 0 0 405.470 2.693 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)C2)cc1 ZINC001129991139 1078756747 /nfs/dbraw/zinc/75/67/47/1078756747.db2.gz LJONNISXPJISQY-RTBURBONSA-N 0 0 414.550 2.566 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC001129991303 1078757096 /nfs/dbraw/zinc/75/70/96/1078757096.db2.gz NFUCJGBPLPLVKZ-WOJBJXKFSA-N 0 0 407.514 2.686 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001129992921 1078760012 /nfs/dbraw/zinc/76/00/12/1078760012.db2.gz BHRBLCPTSMOKOE-UYAOXDASSA-N 0 0 407.514 2.800 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC001129993109 1078760611 /nfs/dbraw/zinc/76/06/11/1078760611.db2.gz 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COc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)cc(Cl)c1OCC(N)=O ZINC000746813664 1077574861 /nfs/dbraw/zinc/57/48/61/1077574861.db2.gz YHJLNLWSWWOJIH-UHFFFAOYSA-N 0 0 417.893 2.525 20 10 HFCDRN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000789573544 1077656732 /nfs/dbraw/zinc/65/67/32/1077656732.db2.gz LCNNIZXGADYEAT-UHFFFAOYSA-N 0 0 401.517 2.874 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)NCc3ccc4ncccc4c3)CC2)cc1 ZINC000792057763 1077662942 /nfs/dbraw/zinc/66/29/42/1077662942.db2.gz PTUHDQRPYMGFMC-UHFFFAOYSA-N 0 0 419.529 2.865 20 10 HFCDRN CCOC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000789581428 1077666465 /nfs/dbraw/zinc/66/64/65/1077666465.db2.gz QYHXWCLJOYMXJG-ABAIWWIYSA-N 0 0 402.285 2.611 20 10 HFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)NC(=O)OC(C)(C)C ZINC000792039246 1077689243 /nfs/dbraw/zinc/68/92/43/1077689243.db2.gz IEHGPMSPPYQIGQ-INIZCTEOSA-N 0 0 420.554 2.608 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4ccccc4F)c3)CC2)cc1 ZINC000746846194 1077727843 /nfs/dbraw/zinc/72/78/43/1077727843.db2.gz BYIRDWLFGJWTGH-UHFFFAOYSA-N 0 0 423.492 2.572 20 10 HFCDRN COc1ccc(N2CCN(C(=O)CNc3ccc(-n4ccc(C)n4)cc3)CC2)cc1 ZINC000789696515 1077733294 /nfs/dbraw/zinc/73/32/94/1077733294.db2.gz HYIOTJZHKOUGGT-UHFFFAOYSA-N 0 0 405.502 2.950 20 10 HFCDRN CN(C)c1ccc([C@@H](CNC(=O)C2CCC(O)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000792197740 1077741485 /nfs/dbraw/zinc/74/14/85/1077741485.db2.gz CWWXAGGJMKBCMT-NKELODKYSA-N 0 0 405.539 2.986 20 10 HFCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000792214912 1077768198 /nfs/dbraw/zinc/76/81/98/1077768198.db2.gz ARXRKEXUBPKAMG-HOTGVXAUSA-N 0 0 413.522 2.815 20 10 HFCDRN O=C1C[C@]2(CC[N@@H+](Cc3cc(Br)cc(Br)c3[O-])C2)CN1 ZINC000789768373 1077769412 /nfs/dbraw/zinc/76/94/12/1077769412.db2.gz MMFHFHIAMXBSDT-CQSZACIVSA-N 0 0 404.102 2.629 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCc4c(O)cccc43)cc2)C1 ZINC000789741648 1077775621 /nfs/dbraw/zinc/77/56/21/1077775621.db2.gz BZUOUBOPTJKMRA-LAUBAEHRSA-N 0 0 407.514 2.830 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792251460 1077779347 /nfs/dbraw/zinc/77/93/47/1077779347.db2.gz PVERRTRNWISPQG-MRXNPFEDSA-N 0 0 406.527 2.830 20 10 HFCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC(=O)OC(C)(C)C ZINC000792263548 1077785509 /nfs/dbraw/zinc/78/55/09/1077785509.db2.gz ZXGAOMCETFBZOP-DOTOQJQBSA-N 0 0 407.511 2.996 20 10 HFCDRN Cc1ccc(C)c(CN(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000789798055 1077803145 /nfs/dbraw/zinc/80/31/45/1077803145.db2.gz AWWPKUKYGBWGDN-UHFFFAOYSA-N 0 0 413.493 2.554 20 10 HFCDRN CC1(C)CC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC(C)(C)C1 ZINC000789799084 1077803862 /nfs/dbraw/zinc/80/38/62/1077803862.db2.gz IGIXFVGKHYZNAW-UHFFFAOYSA-N 0 0 419.541 3.000 20 10 HFCDRN CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000789799070 1077803915 /nfs/dbraw/zinc/80/39/15/1077803915.db2.gz HWAACPXGLJFWJN-HZPDHXFCSA-N 0 0 405.514 2.704 20 10 HFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000789798972 1077803944 /nfs/dbraw/zinc/80/39/44/1077803944.db2.gz KPYUNTUQAOXDAA-AWEZNQCLSA-N 0 0 405.495 2.526 20 10 HFCDRN CCC1CCC(N(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789799676 1077804511 /nfs/dbraw/zinc/80/45/11/1077804511.db2.gz KDLFWTUEOYZAKJ-UHFFFAOYSA-N 0 0 405.514 2.706 20 10 HFCDRN Cc1cc(C)cc(CN(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000789801190 1077804747 /nfs/dbraw/zinc/80/47/47/1077804747.db2.gz ZCVWMWLXTNPAEG-UHFFFAOYSA-N 0 0 413.493 2.554 20 10 HFCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789800809 1077805071 /nfs/dbraw/zinc/80/50/71/1077805071.db2.gz OXRDYDFUXVYJMP-HKUYNNGSSA-N 0 0 405.514 2.754 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000789802007 1077805567 /nfs/dbraw/zinc/80/55/67/1077805567.db2.gz YIOIDGIASFMRNR-SFHVURJKSA-N 0 0 417.506 2.704 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCC(C3CC3)C3CC3)cc2F)C[C@H](C)O1 ZINC000789827665 1077810812 /nfs/dbraw/zinc/81/08/12/1077810812.db2.gz ULRKTRSBUNVGOK-GASCZTMLSA-N 0 0 417.525 2.608 20 10 HFCDRN COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000772794586 1077813132 /nfs/dbraw/zinc/81/31/32/1077813132.db2.gz RVDGOSHGEUWIOK-GHTZIAJQSA-N 0 0 416.518 2.589 20 10 HFCDRN CCC(CC)CN(CC)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789841445 1077816785 /nfs/dbraw/zinc/81/67/85/1077816785.db2.gz YFQLERCQNJWEDX-UHFFFAOYSA-N 0 0 407.530 2.688 20 10 HFCDRN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCC1 ZINC000789842212 1077817148 /nfs/dbraw/zinc/81/71/48/1077817148.db2.gz BPMBKFQRVVKYLE-UHFFFAOYSA-N 0 0 419.541 2.736 20 10 HFCDRN CC[C@H](C)[C@H](C)N(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000789842207 1077817231 /nfs/dbraw/zinc/81/72/31/1077817231.db2.gz BNGQBFGORHZDPT-HOTGVXAUSA-N 0 0 419.541 2.829 20 10 HFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000789844438 1077817775 /nfs/dbraw/zinc/81/77/75/1077817775.db2.gz HQHXTULYSCZUKH-FQEVSTJZSA-N 0 0 419.541 2.878 20 10 HFCDRN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCCO1 ZINC000789845765 1077818722 /nfs/dbraw/zinc/81/87/22/1077818722.db2.gz LMIRMQFGLWJVCO-LJQANCHMSA-N 0 0 419.591 2.568 20 10 HFCDRN C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC12CCC2 ZINC000789845888 1077818840 /nfs/dbraw/zinc/81/88/40/1077818840.db2.gz NUEGZJHRHCJQFG-QGZVFWFLSA-N 0 0 401.576 2.895 20 10 HFCDRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000789812192 1077821955 /nfs/dbraw/zinc/82/19/55/1077821955.db2.gz KETRAMKOOYCGQK-UYAOXDASSA-N 0 0 419.541 3.000 20 10 HFCDRN CCN(CCC1CC1)C(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000789817121 1077825034 /nfs/dbraw/zinc/82/50/34/1077825034.db2.gz FTBBUGIMXHZZGG-HOTGVXAUSA-N 0 0 405.514 2.704 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H]3CC=CCC3)cc2F)C[C@H](C)O1 ZINC000789819424 1077825961 /nfs/dbraw/zinc/82/59/61/1077825961.db2.gz MNJUPGMRVIJGMC-KSZLIROESA-N 0 0 417.525 2.870 20 10 HFCDRN CCCN(CC1CC1)C(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000789818690 1077826320 /nfs/dbraw/zinc/82/63/20/1077826320.db2.gz KAOYLBVPUAOMON-IYBDPMFKSA-N 0 0 405.514 2.704 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCC3(C)C)cc2F)C[C@H](C)O1 ZINC000789822055 1077828056 /nfs/dbraw/zinc/82/80/56/1077828056.db2.gz VGUVOFOJZYZKSW-ZRGWGRIASA-N 0 0 405.514 2.750 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCCC(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000789824885 1077829895 /nfs/dbraw/zinc/82/98/95/1077829895.db2.gz KUTPTAAOAUUTLF-HZPDHXFCSA-N 0 0 407.530 2.998 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)S(=O)[C@H](C)C3)c2C)cc1 ZINC000792389317 1077831668 /nfs/dbraw/zinc/83/16/68/1077831668.db2.gz RMFNGAXZFXZHAI-HZPDHXFCSA-N 0 0 416.543 2.905 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)NCc3cc(Br)cs3)ccc21 ZINC000789877337 1077832517 /nfs/dbraw/zinc/83/25/17/1077832517.db2.gz LUVOZGXJAQHIPI-UHFFFAOYSA-N 0 0 422.348 2.826 20 10 HFCDRN Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000792408263 1077840903 /nfs/dbraw/zinc/84/09/03/1077840903.db2.gz DSBGRUOFAUHFFG-UHFFFAOYSA-N 0 0 414.502 2.521 20 10 HFCDRN CC(C)n1cc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000789864461 1077842704 /nfs/dbraw/zinc/84/27/04/1077842704.db2.gz OMDVVVOVVGNYSZ-INIZCTEOSA-N 0 0 415.563 2.511 20 10 HFCDRN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000789867470 1077843606 /nfs/dbraw/zinc/84/36/06/1077843606.db2.gz GFTNBGDDESNMBC-RBUKOAKNSA-N 0 0 419.591 2.518 20 10 HFCDRN C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000789949344 1077864546 /nfs/dbraw/zinc/86/45/46/1077864546.db2.gz HRNNADNYQLQXJH-AWEZNQCLSA-N 0 0 413.440 2.559 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCCN3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959078 1077869585 /nfs/dbraw/zinc/86/95/85/1077869585.db2.gz NXTICLDNMVRCBX-HYFFOGBASA-N 0 0 419.541 2.699 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCCN3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959079 1077870094 /nfs/dbraw/zinc/87/00/94/1077870094.db2.gz NXTICLDNMVRCBX-JKSBSHDWSA-N 0 0 419.541 2.699 20 10 HFCDRN CCOC(=O)c1c(NC(=O)CN2CC(=O)N(CC)C2)sc(C)c1-c1ccccc1 ZINC000792487557 1077879367 /nfs/dbraw/zinc/87/93/67/1077879367.db2.gz SLAWJSYOIKMGQE-UHFFFAOYSA-N 0 0 415.515 2.960 20 10 HFCDRN COC(=O)[C@H](CSCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C)NC(C)=O ZINC000790001592 1077898268 /nfs/dbraw/zinc/89/82/68/1077898268.db2.gz NWZLKSABLAMWIV-SFHVURJKSA-N 0 0 406.479 2.827 20 10 HFCDRN COc1ccc(CCS(=O)(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000790031491 1077903388 /nfs/dbraw/zinc/90/33/88/1077903388.db2.gz KMFUWIAXFVWHHE-UHFFFAOYSA-N 0 0 408.495 2.537 20 10 HFCDRN C[NH+](C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000790020659 1077915996 /nfs/dbraw/zinc/91/59/96/1077915996.db2.gz CJDPPIXGCJTHPD-IBGZPJMESA-N 0 0 404.532 2.824 20 10 HFCDRN COC(=O)c1cc(Br)c(OC)c(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170320642 1077942638 /nfs/dbraw/zinc/94/26/38/1077942638.db2.gz GNRSWLHMVYAIDO-UHFFFAOYSA-N 0 0 410.220 2.950 20 10 HFCDRN Cc1c(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1C ZINC000790153255 1077966077 /nfs/dbraw/zinc/96/60/77/1077966077.db2.gz HMDQOZMUSMSQTJ-UHFFFAOYSA-N 0 0 417.506 2.941 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc(Cl)nc3C)CC2)cc1 ZINC000790237643 1077973915 /nfs/dbraw/zinc/97/39/15/1077973915.db2.gz NTXICYQLQDAVOJ-KTKRTIGZSA-N 0 0 414.893 2.896 20 10 HFCDRN C[C@@H](O)[C@](C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000790240874 1077974508 /nfs/dbraw/zinc/97/45/08/1077974508.db2.gz LOGRBBPSNUPPBX-DVECYGJZSA-N 0 0 411.546 2.952 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3CCSC[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000790284449 1077984905 /nfs/dbraw/zinc/98/49/05/1077984905.db2.gz RYOYHCAGIHNHOU-HXUWFJFHSA-N 0 0 415.563 2.897 20 10 HFCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c(O)c1 ZINC000792831782 1078007802 /nfs/dbraw/zinc/00/78/02/1078007802.db2.gz RNLWEQXDRFPYEE-CQSZACIVSA-N 0 0 413.474 2.619 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)cc2F)C[C@@H](C)O1 ZINC000792836482 1078008693 /nfs/dbraw/zinc/00/86/93/1078008693.db2.gz WXFYZZMTBZBZPO-FSNCLGKMSA-N 0 0 421.513 2.529 20 10 HFCDRN CCCOc1nc(C)ccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000790379252 1078008995 /nfs/dbraw/zinc/00/89/95/1078008995.db2.gz KPFJFADTIJCANG-SFHVURJKSA-N 0 0 410.518 2.811 20 10 HFCDRN COc1ccc([C@@H]2C[C@H]2NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000792865757 1078011599 /nfs/dbraw/zinc/01/15/99/1078011599.db2.gz AYDDBKQAXZDZMI-XZOQPEGZSA-N 0 0 424.545 2.681 20 10 HFCDRN C[C@H](Cn1ncc2ccccc21)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000792844818 1078013437 /nfs/dbraw/zinc/01/34/37/1078013437.db2.gz GEQVZPWKDWHQAK-QGZVFWFLSA-N 0 0 408.502 2.940 20 10 HFCDRN C[C@@H]1c2nncn2CCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000790398442 1078025716 /nfs/dbraw/zinc/02/57/16/1078025716.db2.gz SWAXEHKDOHPCPF-KGLIPLIRSA-N 0 0 406.437 2.635 20 10 HFCDRN C[C@@H](NC(=O)N(CCO)Cc1cccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000792921848 1078026512 /nfs/dbraw/zinc/02/65/12/1078026512.db2.gz RMRSNLQULWPKOB-MRXNPFEDSA-N 0 0 418.925 2.837 20 10 HFCDRN O=C1NCCN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000790462408 1078028277 /nfs/dbraw/zinc/02/82/77/1078028277.db2.gz QCZCYINEYDAMGJ-KRWDZBQOSA-N 0 0 410.348 2.693 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@H](C)O1 ZINC000790431923 1078028758 /nfs/dbraw/zinc/02/87/58/1078028758.db2.gz ULNWTBKUZIHZPX-FVJLSDCUSA-N 0 0 421.557 2.802 20 10 HFCDRN Cc1c(CN(C)CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cnn1C ZINC000790444547 1078033930 /nfs/dbraw/zinc/03/39/30/1078033930.db2.gz IHKPQOWOTIORPS-UHFFFAOYSA-N 0 0 402.454 2.574 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000792966727 1078037471 /nfs/dbraw/zinc/03/74/71/1078037471.db2.gz JKWBGDLKIICAEG-UHFFFAOYSA-N 0 0 406.486 2.640 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000806276118 1079537688 /nfs/dbraw/zinc/53/76/88/1079537688.db2.gz IDEPFFRULIQUAB-KRWDZBQOSA-N 0 0 419.572 2.640 20 10 HFCDRN Cc1cccc(N2CCN(C(=O)C(=O)NCCCSc3nccs3)CC2)c1C ZINC000806275680 1079538253 /nfs/dbraw/zinc/53/82/53/1079538253.db2.gz QPFKYDKBYUJVOL-UHFFFAOYSA-N 0 0 418.588 2.707 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1cccc(-n2cccn2)c1 ZINC000806276453 1079539796 /nfs/dbraw/zinc/53/97/96/1079539796.db2.gz DROSJGCTBZQMBH-CQSZACIVSA-N 0 0 415.544 2.805 20 10 HFCDRN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806281091 1079543572 /nfs/dbraw/zinc/54/35/72/1079543572.db2.gz MWEXGBZWDZGOSQ-OAHLLOKOSA-N 0 0 419.572 2.986 20 10 HFCDRN CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCCSc1nccs1)CCO2 ZINC000806282003 1079544119 /nfs/dbraw/zinc/54/41/19/1079544119.db2.gz FFZAHOVNDBWJHQ-HNNXBMFYSA-N 0 0 421.544 2.780 20 10 HFCDRN CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCCSc1nccs1)CCO2 ZINC000806282004 1079544132 /nfs/dbraw/zinc/54/41/32/1079544132.db2.gz FFZAHOVNDBWJHQ-OAHLLOKOSA-N 0 0 421.544 2.780 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000806281441 1079544584 /nfs/dbraw/zinc/54/45/84/1079544584.db2.gz YKLWUPCMAYAHHF-UHFFFAOYSA-N 0 0 419.450 2.798 20 10 HFCDRN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]1 ZINC000806444053 1079714874 /nfs/dbraw/zinc/71/48/74/1079714874.db2.gz ZFOCKMGKEJAWQO-NSHDSACASA-N 0 0 412.416 2.529 20 10 HFCDRN Cc1noc([C@H]2CCCCN2C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000806457171 1079727295 /nfs/dbraw/zinc/72/72/95/1079727295.db2.gz FQJHYZCJEMOBKL-LJQANCHMSA-N 0 0 417.485 2.915 20 10 HFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000806456947 1079727894 /nfs/dbraw/zinc/72/78/94/1079727894.db2.gz AFZCZHDQVMKIBT-FQEVSTJZSA-N 0 0 401.486 2.947 20 10 HFCDRN COC1(c2ccccc2)CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000806458644 1079732161 /nfs/dbraw/zinc/73/21/61/1079732161.db2.gz ZTJCUOBAPZSAFP-UHFFFAOYSA-N 0 0 413.493 2.854 20 10 HFCDRN Cc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCO2 ZINC000806496185 1079746867 /nfs/dbraw/zinc/74/68/67/1079746867.db2.gz QQMHDMHOKYHSTM-IBGZPJMESA-N 0 0 422.529 2.801 20 10 HFCDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000806511491 1079760776 /nfs/dbraw/zinc/76/07/76/1079760776.db2.gz HSDTUOKCWCSVTH-HXUWFJFHSA-N 0 0 418.538 2.722 20 10 HFCDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806541002 1079778547 /nfs/dbraw/zinc/77/85/47/1079778547.db2.gz CSLYONKFYMRGTQ-APWZRJJASA-N 0 0 404.511 2.504 20 10 HFCDRN C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000806540827 1079779219 /nfs/dbraw/zinc/77/92/19/1079779219.db2.gz BDNMODREUFQFIU-XLIONFOSSA-N 0 0 418.538 2.847 20 10 HFCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542146 1079780087 /nfs/dbraw/zinc/78/00/87/1079780087.db2.gz PSIREBSTUMJLNG-FXAWDEMLSA-N 0 0 402.539 2.675 20 10 HFCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542149 1079780332 /nfs/dbraw/zinc/78/03/32/1079780332.db2.gz PSIREBSTUMJLNG-YLJYHZDGSA-N 0 0 402.539 2.675 20 10 HFCDRN O=C(NCCc1ccc2[nH]ccc2c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000806548702 1079787357 /nfs/dbraw/zinc/78/73/57/1079787357.db2.gz MJMRHIUIDHSCHJ-HXUWFJFHSA-N 0 0 421.497 2.740 20 10 HFCDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000806511539 1079788454 /nfs/dbraw/zinc/78/84/54/1079788454.db2.gz IUBOCCACGZLYEU-UHFFFAOYSA-N 0 0 416.566 2.846 20 10 HFCDRN O=C(NCCc1ccc(Cl)nc1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806605298 1079846917 /nfs/dbraw/zinc/84/69/17/1079846917.db2.gz MXMHWHIBKDOTCT-UHFFFAOYSA-N 0 0 413.861 2.921 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCc1ccncc1C ZINC000806591508 1079864122 /nfs/dbraw/zinc/86/41/22/1079864122.db2.gz PPAFIFAPIJCEIZ-UHFFFAOYSA-N 0 0 420.307 2.566 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)NCc1ccccc1N1CCOCC1 ZINC000806622691 1079881170 /nfs/dbraw/zinc/88/11/70/1079881170.db2.gz SFIPACKSADPETP-UHFFFAOYSA-N 0 0 420.307 2.991 20 10 HFCDRN O=C(NC[C@H](CO)c1cccnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806684399 1079911844 /nfs/dbraw/zinc/91/18/44/1079911844.db2.gz IPMAJACOGGBYLL-MRXNPFEDSA-N 0 0 420.460 2.727 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000806698795 1079921879 /nfs/dbraw/zinc/92/18/79/1079921879.db2.gz SVVREWRQACXRFQ-FQEVSTJZSA-N 0 0 417.550 2.683 20 10 HFCDRN O=C(NCc1ccsc1Br)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806810218 1080024258 /nfs/dbraw/zinc/02/42/58/1080024258.db2.gz QTNQOSGZWPVIQB-UHFFFAOYSA-N 0 0 420.332 2.819 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccsc2Br)cc1 ZINC000806810984 1080024503 /nfs/dbraw/zinc/02/45/03/1080024503.db2.gz QDWYELVUJHHMKW-UHFFFAOYSA-N 0 0 410.337 2.851 20 10 HFCDRN COC(=O)c1c(C)csc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000806839555 1080051988 /nfs/dbraw/zinc/05/19/88/1080051988.db2.gz IDKQCEJIKIMUDT-UHFFFAOYSA-N 0 0 401.488 2.698 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806929922 1080096685 /nfs/dbraw/zinc/09/66/85/1080096685.db2.gz MQXLVTMJJIJJBX-UHFFFAOYSA-N 0 0 400.576 2.626 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001130780424 1080113272 /nfs/dbraw/zinc/11/32/72/1080113272.db2.gz PGDRVICTTGNVAN-SFTDATJTSA-N 0 0 416.518 2.871 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001130780517 1080114068 /nfs/dbraw/zinc/11/40/68/1080114068.db2.gz RKLWPEIEBIOWDG-SJORKVTESA-N 0 0 418.481 2.906 20 10 HFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1O ZINC000806908020 1080115253 /nfs/dbraw/zinc/11/52/53/1080115253.db2.gz UGYKDUNKJBBVCV-NSHDSACASA-N 0 0 412.364 2.985 20 10 HFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000807010925 1080208341 /nfs/dbraw/zinc/20/83/41/1080208341.db2.gz RUNBNGGGAWWDGE-BZUAXINKSA-N 0 0 409.477 2.925 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807087774 1080264348 /nfs/dbraw/zinc/26/43/48/1080264348.db2.gz QFYCLYUOCFTCMH-JOCHJYFZSA-N 0 0 409.530 2.961 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092008 1080270710 /nfs/dbraw/zinc/27/07/10/1080270710.db2.gz REIRASBOKSPCKM-HSZRJFAPSA-N 0 0 419.525 2.963 20 10 HFCDRN CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)Oc1ccccc1F ZINC000807099048 1080276164 /nfs/dbraw/zinc/27/61/64/1080276164.db2.gz IWUTVCZAGLADGM-SFHVURJKSA-N 0 0 401.482 2.790 20 10 HFCDRN CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)Oc1ccccc1F ZINC000807099047 1080276300 /nfs/dbraw/zinc/27/63/00/1080276300.db2.gz IWUTVCZAGLADGM-GOSISDBHSA-N 0 0 401.482 2.790 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000807099767 1080278031 /nfs/dbraw/zinc/27/80/31/1080278031.db2.gz FJRFLQGXFTUKPK-HXUWFJFHSA-N 0 0 415.921 2.931 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000807099599 1080278520 /nfs/dbraw/zinc/27/85/20/1080278520.db2.gz AJYOBXCYGKRGAM-UHFFFAOYSA-N 0 0 405.502 2.522 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[C@H](SC)C3)CC2)cc1 ZINC000807205839 1080354706 /nfs/dbraw/zinc/35/47/06/1080354706.db2.gz RGSQIRRTSKOCPM-APWZRJJASA-N 0 0 405.564 2.524 20 10 HFCDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289040 1080453337 /nfs/dbraw/zinc/45/33/37/1080453337.db2.gz HDLBNCQFXSJKFV-FQEVSTJZSA-N 0 0 407.518 2.649 20 10 HFCDRN CCO[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C12CCCCC2 ZINC000807290011 1080454902 /nfs/dbraw/zinc/45/49/02/1080454902.db2.gz BEXIOMUATGBUPQ-RTWAWAEBSA-N 0 0 411.546 2.923 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000807289949 1080455377 /nfs/dbraw/zinc/45/53/77/1080455377.db2.gz NWRUXZPMQWQMKT-UHFFFAOYSA-N 0 0 420.469 2.778 20 10 HFCDRN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289565 1080456520 /nfs/dbraw/zinc/45/65/20/1080456520.db2.gz ZSVIRNAKKXMXDD-JOCHJYFZSA-N 0 0 407.514 2.570 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000807289522 1080456625 /nfs/dbraw/zinc/45/66/25/1080456625.db2.gz XVMDWLZZHYIVOU-QHCPKHFHSA-N 0 0 419.525 2.651 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCC[C@@H]3CCOC3)cc2Cl)C1 ZINC000807325921 1080476478 /nfs/dbraw/zinc/47/64/78/1080476478.db2.gz KVCVAKSXUBBICJ-HZPDHXFCSA-N 0 0 407.942 2.735 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000807292112 1080478763 /nfs/dbraw/zinc/47/87/63/1080478763.db2.gz LUGIGEUSUKZSPA-UHFFFAOYSA-N 0 0 421.545 2.595 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000807291406 1080479625 /nfs/dbraw/zinc/47/96/25/1080479625.db2.gz JCAHQULMZXIYGC-OXJNMPFZSA-N 0 0 411.527 2.729 20 10 HFCDRN COC(=O)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1C ZINC000807385488 1080581265 /nfs/dbraw/zinc/58/12/65/1080581265.db2.gz LKJYMGGELKJPEJ-UHFFFAOYSA-N 0 0 421.247 2.505 20 10 HFCDRN CC(=O)Nc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1C ZINC000807387173 1080582040 /nfs/dbraw/zinc/58/20/40/1080582040.db2.gz BKRXXURHRKBSJI-UHFFFAOYSA-N 0 0 420.263 2.676 20 10 HFCDRN COC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000807386665 1080583254 /nfs/dbraw/zinc/58/32/54/1080583254.db2.gz DQAHSRMAJPYCCI-UHFFFAOYSA-N 0 0 421.247 2.505 20 10 HFCDRN CCc1c(NC(=O)C(=O)NCc2cc(Br)ccc2O)cnn1CC(C)C ZINC000807386704 1080583317 /nfs/dbraw/zinc/58/33/17/1080583317.db2.gz FSPOXGNKTMIMTI-UHFFFAOYSA-N 0 0 423.311 2.825 20 10 HFCDRN CCN(CC)c1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000807387566 1080583902 /nfs/dbraw/zinc/58/39/02/1080583902.db2.gz OBYGHXIDDFRAFH-UHFFFAOYSA-N 0 0 421.295 2.651 20 10 HFCDRN O=C(NC[C@@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000807488992 1080676851 /nfs/dbraw/zinc/67/68/51/1080676851.db2.gz AGHRQFRVCAGJPL-HNNXBMFYSA-N 0 0 414.487 2.982 20 10 HFCDRN O=C(NC[C@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000807488994 1080676910 /nfs/dbraw/zinc/67/69/10/1080676910.db2.gz AGHRQFRVCAGJPL-OAHLLOKOSA-N 0 0 414.487 2.982 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(OC(F)F)cn2)C2CC2)cc1 ZINC000807530920 1080744046 /nfs/dbraw/zinc/74/40/46/1080744046.db2.gz FICQTIAVQQLJGT-UHFFFAOYSA-N 0 0 418.444 2.556 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCOCC3)cc2Cl)C1 ZINC000807563640 1080819973 /nfs/dbraw/zinc/81/99/73/1080819973.db2.gz JRFNWTLHZFAQNP-DOTOQJQBSA-N 0 0 407.942 2.878 20 10 HFCDRN C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C[C@@H](C)O2 ZINC000790502583 1078046828 /nfs/dbraw/zinc/04/68/28/1078046828.db2.gz VOKUCVJNVASIMJ-LZJOCLMNSA-N 0 0 405.564 2.718 20 10 HFCDRN O=C(COc1ccc([C@@H]2CCOC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790519943 1078049696 /nfs/dbraw/zinc/04/96/96/1078049696.db2.gz RRDSKVJNDCNBDE-LJQANCHMSA-N 0 0 414.477 2.861 20 10 HFCDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1F ZINC000790554830 1078054910 /nfs/dbraw/zinc/05/49/10/1078054910.db2.gz ROVYZXMIOTVQTE-UHFFFAOYSA-N 0 0 400.410 2.996 20 10 HFCDRN O=C1/C(=C\c2ccnn2-c2ccccc2)SC(=S)N1CCCN1CCOCC1 ZINC000790626778 1078081579 /nfs/dbraw/zinc/08/15/79/1078081579.db2.gz AZLLCYALQIVKTE-OBGWFSINSA-N 0 0 414.556 2.796 20 10 HFCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)O2 ZINC000793132330 1078087045 /nfs/dbraw/zinc/08/70/45/1078087045.db2.gz NDGXWISPNBAXLX-UGKGYDQZSA-N 0 0 407.514 2.707 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(F)ccc3-n3cccn3)cc2)C1 ZINC000793132334 1078087056 /nfs/dbraw/zinc/08/70/56/1078087056.db2.gz NHRUCPVBXYJNPU-KRWDZBQOSA-N 0 0 421.476 2.643 20 10 HFCDRN COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000793134081 1078087353 /nfs/dbraw/zinc/08/73/53/1078087353.db2.gz PXKJDALIFVJPDI-VQTJNVASSA-N 0 0 419.909 2.925 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c(C)n1-c1cccc(C)c1 ZINC000790679242 1078088266 /nfs/dbraw/zinc/08/82/66/1078088266.db2.gz XFCAILYJSUHZBV-XMMPIXPASA-N 0 0 422.481 2.741 20 10 HFCDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790701178 1078099757 /nfs/dbraw/zinc/09/97/57/1078099757.db2.gz ILBFKAUKFRTNSH-GFCCVEGCSA-N 0 0 400.460 2.728 20 10 HFCDRN NC(=O)[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000793264540 1078113316 /nfs/dbraw/zinc/11/33/16/1078113316.db2.gz 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413.499 2.946 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000807385133 1080580980 /nfs/dbraw/zinc/58/09/80/1080580980.db2.gz BZOIQVKIEVUFED-UHFFFAOYSA-N 0 0 418.169 2.823 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000807387276 1080581729 /nfs/dbraw/zinc/58/17/29/1080581729.db2.gz GUKIHRRSPCYTBI-UHFFFAOYSA-N 0 0 415.247 2.595 20 10 HFCDRN CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000807386911 1080582821 /nfs/dbraw/zinc/58/28/21/1080582821.db2.gz PWPJMPXFCPEXGW-UHFFFAOYSA-N 0 0 420.263 2.758 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc2ncccc2c1 ZINC000807386830 1080582851 /nfs/dbraw/zinc/58/28/51/1080582851.db2.gz LMHPXMHAAFNBCN-UHFFFAOYSA-N 0 0 400.232 2.958 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000807386810 1080582946 /nfs/dbraw/zinc/58/29/46/1080582946.db2.gz KOYCVWNPSFLWNL-UHFFFAOYSA-N 0 0 417.259 2.929 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000807387592 1080583967 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1078727315 /nfs/dbraw/zinc/72/73/15/1078727315.db2.gz DEAAWGMMICIDEG-UHFFFAOYSA-N 0 0 410.518 2.744 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(F)c(COC)c1 ZINC000804916789 1078737076 /nfs/dbraw/zinc/73/70/76/1078737076.db2.gz KGUOLUHUHOWSQW-UHFFFAOYSA-N 0 0 401.482 2.703 20 10 HFCDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000804975091 1078811535 /nfs/dbraw/zinc/81/15/35/1078811535.db2.gz DFXGGBJGHXHXLD-LPHOPBHVSA-N 0 0 418.538 2.720 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000805020813 1078831251 /nfs/dbraw/zinc/83/12/51/1078831251.db2.gz ZMJQSKJHVDPTQE-RTBURBONSA-N 0 0 401.551 2.861 20 10 HFCDRN CCOC1CC(CCNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000805026359 1078838997 /nfs/dbraw/zinc/83/89/97/1078838997.db2.gz KTBDPXCHBVWVJS-UHFFFAOYSA-N 0 0 401.551 2.861 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC000805023287 1078835521 /nfs/dbraw/zinc/83/55/21/1078835521.db2.gz FHNFONANJSFTST-NRFANRHFSA-N 0 0 413.562 2.814 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCc4ccccc4[C@@H]3CO)cc2)CC1 ZINC000805024679 1078836266 /nfs/dbraw/zinc/83/62/66/1078836266.db2.gz TWUUBPHGUOAHNX-QHCPKHFHSA-N 0 0 421.541 2.657 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](Oc4ccncc4)C3)cc2)CC1 ZINC000805024667 1078836761 /nfs/dbraw/zinc/83/67/61/1078836761.db2.gz TVNUQVBYWNNRON-JOCHJYFZSA-N 0 0 422.529 2.614 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@@](C)(O)c3ccccc3)cc2)CC1 ZINC000805026133 1078839314 /nfs/dbraw/zinc/83/93/14/1078839314.db2.gz CVICVIWBVDCOOL-RUZDIDTESA-N 0 0 423.557 2.953 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000805002060 1078848230 /nfs/dbraw/zinc/84/82/30/1078848230.db2.gz UADWBFCOUJCIHX-CQSZACIVSA-N 0 0 404.264 2.759 20 10 HFCDRN COCc1ccccc1CS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000805011335 1078855953 /nfs/dbraw/zinc/85/59/53/1078855953.db2.gz BJTLISVPGPNLFW-UHFFFAOYSA-N 0 0 418.559 2.661 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000805465566 1079086548 /nfs/dbraw/zinc/08/65/48/1079086548.db2.gz ORAFTZCHTSOJED-LJQANCHMSA-N 0 0 412.509 2.635 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCc1cccc(C)n1 ZINC000805721680 1079235405 /nfs/dbraw/zinc/23/54/05/1079235405.db2.gz BIGGCPVVKMXDHB-UHFFFAOYSA-N 0 0 420.307 2.566 20 10 HFCDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1-n1cccn1 ZINC000805742810 1079245100 /nfs/dbraw/zinc/24/51/00/1079245100.db2.gz OOJKBOALQJHNNK-KRWDZBQOSA-N 0 0 405.502 2.774 20 10 HFCDRN COc1ccc(N2CCN(C(=O)CN(C)c3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000805770248 1079245432 /nfs/dbraw/zinc/24/54/32/1079245432.db2.gz KMHIZKQYCNVFKK-UHFFFAOYSA-N 0 0 421.497 2.895 20 10 HFCDRN COc1ccc(N2CCN(CCNS(=O)(=O)/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000747268209 1079259899 /nfs/dbraw/zinc/25/98/99/1079259899.db2.gz QVJZKCRXMYWYND-LICLKQGHSA-N 0 0 419.522 2.547 20 10 HFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000805880372 1079303913 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CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000806428286 1079672712 /nfs/dbraw/zinc/67/27/12/1079672712.db2.gz RXBREZURDHQTIF-HXUWFJFHSA-N 0 0 421.501 2.791 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000806464520 1079736885 /nfs/dbraw/zinc/73/68/85/1079736885.db2.gz ICHRXIABMSPLHP-GOSISDBHSA-N 0 0 422.595 2.536 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCc1cncc(C)c1 ZINC000806494980 1079746357 /nfs/dbraw/zinc/74/63/57/1079746357.db2.gz ZJEVGLDTOJQNOY-UHFFFAOYSA-N 0 0 406.280 2.523 20 10 HFCDRN CN1C(=O)COc2cc(NC(=O)NCc3cc(Br)ccc3O)ccc21 ZINC000806510032 1079760386 /nfs/dbraw/zinc/76/03/86/1079760386.db2.gz YOOMYKKXCFNPPI-UHFFFAOYSA-N 0 0 406.236 2.832 20 10 HFCDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542853 1079781636 /nfs/dbraw/zinc/78/16/36/1079781636.db2.gz ZCOGJXPYQJTJTK-PXNSSMCTSA-N 0 0 418.538 2.894 20 10 HFCDRN CN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000806513031 1079788430 /nfs/dbraw/zinc/78/84/30/1079788430.db2.gz XQLPDBHOGCGAEF-HSZRJFAPSA-N 0 0 408.546 2.592 20 10 HFCDRN COCCNC(=O)c1cccc(NC(=O)NCc2cc(Br)ccc2O)c1 ZINC000806628859 1079886621 /nfs/dbraw/zinc/88/66/21/1079886621.db2.gz MPFWATCNKFTJLM-UHFFFAOYSA-N 0 0 422.279 2.853 20 10 HFCDRN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000806647233 1079902551 /nfs/dbraw/zinc/90/25/51/1079902551.db2.gz PDOILMPYURNIPS-AWEZNQCLSA-N 0 0 403.910 2.951 20 10 HFCDRN CCN(C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C)[C@@H]1CCNC1=O ZINC001626115243 1079994869 /nfs/dbraw/zinc/99/48/69/1079994869.db2.gz BUEJBWUXXRAOIO-OAHLLOKOSA-N 0 0 405.296 2.602 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)c1ccc(C)o1 ZINC000806780787 1080007002 /nfs/dbraw/zinc/00/70/02/1080007002.db2.gz GLCGCVIZIGLCPW-LJQANCHMSA-N 0 0 401.507 2.895 20 10 HFCDRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806792031 1080012864 /nfs/dbraw/zinc/01/28/64/1080012864.db2.gz JVMDJKASFYHYBR-NRFANRHFSA-N 0 0 423.513 2.892 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccncc1OC[C@H]1CCOC1 ZINC000806846588 1080030938 /nfs/dbraw/zinc/03/09/38/1080030938.db2.gz UIBZAIUIAVMJKQ-IBGZPJMESA-N 0 0 408.502 2.873 20 10 HFCDRN C[C@H](NC(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C)c1ccc(N(C)C)cc1 ZINC000806852092 1080057586 /nfs/dbraw/zinc/05/75/86/1080057586.db2.gz IWVKYODZFZSJPZ-IFXJQAMLSA-N 0 0 418.488 2.627 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000806852316 1080057603 /nfs/dbraw/zinc/05/76/03/1080057603.db2.gz LIGWUIXUDXZUKP-SFHVURJKSA-N 0 0 419.472 2.828 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 ZINC000806852872 1080058515 /nfs/dbraw/zinc/05/85/15/1080058515.db2.gz FAYQIBAIEJKZCW-UHFFFAOYSA-N 0 0 411.428 2.848 20 10 HFCDRN CC(C)(O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000806854178 1080059460 /nfs/dbraw/zinc/05/94/60/1080059460.db2.gz VVWXJAJMSZREFK-UHFFFAOYSA-N 0 0 413.543 2.722 20 10 HFCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806856743 1080060702 /nfs/dbraw/zinc/06/07/02/1080060702.db2.gz LEGRLAZWEBWUSM-UHFFFAOYSA-N 0 0 423.439 2.943 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000806920902 1080088976 /nfs/dbraw/zinc/08/89/76/1080088976.db2.gz NXAKTOSVTSJPRE-CYBMUJFWSA-N 0 0 401.326 2.515 20 10 HFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)c(Br)cc2F)c1 ZINC000806898090 1080105655 /nfs/dbraw/zinc/10/56/55/1080105655.db2.gz UUZKTPBTFCLBPE-UHFFFAOYSA-N 0 0 411.227 2.866 20 10 HFCDRN NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1Cl ZINC000806950507 1080159259 /nfs/dbraw/zinc/15/92/59/1080159259.db2.gz UWPKUIBYRRZQSQ-LLVKDONJSA-N 0 0 424.835 2.834 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000806951518 1080161046 /nfs/dbraw/zinc/16/10/46/1080161046.db2.gz ZKLLSKXANJUUEP-RYUDHWBXSA-N 0 0 413.312 2.575 20 10 HFCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)cc1 ZINC001130827037 1080238119 /nfs/dbraw/zinc/23/81/19/1080238119.db2.gz QNHMKDHVWZZPRI-SFHVURJKSA-N 0 0 416.543 2.815 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000807154272 1080311989 /nfs/dbraw/zinc/31/19/89/1080311989.db2.gz ISNWWJKHQMNVKH-UHFFFAOYSA-N 0 0 414.453 2.893 20 10 HFCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000807235839 1080392414 /nfs/dbraw/zinc/39/24/14/1080392414.db2.gz PWLJGKKLEJHTLK-QHCPKHFHSA-N 0 0 422.485 2.959 20 10 HFCDRN COC(=O)[C@H](Cn1ccnc1)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807282677 1080442225 /nfs/dbraw/zinc/44/22/25/1080442225.db2.gz QCTNZQKRHVSIMZ-IBGZPJMESA-N 0 0 414.893 2.845 20 10 HFCDRN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290544 1080446368 /nfs/dbraw/zinc/44/63/68/1080446368.db2.gz KQCRAUFKGHYBGX-INIZCTEOSA-N 0 0 409.534 2.816 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](c2ccccc2)O1 ZINC000807289059 1080454068 /nfs/dbraw/zinc/45/40/68/1080454068.db2.gz HPAOUAKXIVLESP-GCJKJVERSA-N 0 0 405.498 2.668 20 10 HFCDRN CCCOc1cccc(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000807289338 1080456554 /nfs/dbraw/zinc/45/65/54/1080456554.db2.gz QHCWTIICBKQEJF-UHFFFAOYSA-N 0 0 407.514 2.827 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000807323339 1080475106 /nfs/dbraw/zinc/47/51/06/1080475106.db2.gz PYRAXPPSBNJEIH-HNNXBMFYSA-N 0 0 413.312 2.579 20 10 HFCDRN COc1ccc(CCCN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000807292163 1080478837 /nfs/dbraw/zinc/47/88/37/1080478837.db2.gz MURLWYYQSFXNKI-UHFFFAOYSA-N 0 0 407.514 2.779 20 10 HFCDRN CC(C)(C)Oc1cccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000807292014 1080479339 /nfs/dbraw/zinc/47/93/39/1080479339.db2.gz RXCUJHFOYMYYSS-UHFFFAOYSA-N 0 0 408.502 2.568 20 10 HFCDRN Cc1nc(CCNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)sc1C ZINC000807334846 1080534498 /nfs/dbraw/zinc/53/44/98/1080534498.db2.gz ZQWCGKCTWWAVAX-UHFFFAOYSA-N 0 0 402.564 2.922 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(F)c(F)c1F ZINC000807386706 1080583236 /nfs/dbraw/zinc/58/32/36/1080583236.db2.gz FTEXILGSKBURDO-UHFFFAOYSA-N 0 0 403.154 2.827 20 10 HFCDRN COc1cc(C)cc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000807539190 1080754022 /nfs/dbraw/zinc/75/40/22/1080754022.db2.gz DZMAGYBGPKFZFR-LJQANCHMSA-N 0 0 412.486 2.533 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000807540895 1080756076 /nfs/dbraw/zinc/75/60/76/1080756076.db2.gz JBVGDQDXDODOAR-QGZVFWFLSA-N 0 0 402.461 2.547 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C1CC1 ZINC000807524436 1080776240 /nfs/dbraw/zinc/77/62/40/1080776240.db2.gz UHZYLFKGDJAODH-KBXCAEBGSA-N 0 0 407.942 2.734 20 10 HFCDRN COC(=O)N1CCC(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000807526392 1080777983 /nfs/dbraw/zinc/77/79/83/1080777983.db2.gz FNKVENBLWPBVLR-SFHVURJKSA-N 0 0 405.495 2.561 20 10 HFCDRN COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000807569283 1080782723 /nfs/dbraw/zinc/78/27/23/1080782723.db2.gz DMAOMCIYZHGFCT-KRWDZBQOSA-N 0 0 413.518 2.551 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCn3cccc3)cc2Cl)C1 ZINC000807584230 1080795596 /nfs/dbraw/zinc/79/55/96/1080795596.db2.gz WKDIQQPORUUYRJ-MRXNPFEDSA-N 0 0 402.926 2.810 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000807590500 1080801775 /nfs/dbraw/zinc/80/17/75/1080801775.db2.gz QSFXKDKFRSHWRC-HXUWFJFHSA-N 0 0 423.513 2.751 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000793032028 1078052086 /nfs/dbraw/zinc/05/20/86/1078052086.db2.gz PUSMAGRXABYLAS-VQIMIIECSA-N 0 0 403.866 2.825 20 10 HFCDRN COCc1nc([C@H]2COCCN2Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000793063370 1078060055 /nfs/dbraw/zinc/06/00/55/1078060055.db2.gz MZJBPOMKCPMJDC-OAHLLOKOSA-N 0 0 400.401 2.874 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793120184 1078070138 /nfs/dbraw/zinc/07/01/38/1078070138.db2.gz MVTTVBPZJFOPSJ-GOSISDBHSA-N 0 0 421.513 2.924 20 10 HFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790681703 1078090033 /nfs/dbraw/zinc/09/00/33/1078090033.db2.gz PMANWCKEJDAWNA-BEFAXECRSA-N 0 0 416.428 2.961 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)CC2)cc1 ZINC000790702855 1078100407 /nfs/dbraw/zinc/10/04/07/1078100407.db2.gz SQOLEEDNGLQSHV-GSHUGGBRSA-N 0 0 403.523 2.642 20 10 HFCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnn1Cc1ccc(F)cc1F ZINC000790866495 1078163533 /nfs/dbraw/zinc/16/35/33/1078163533.db2.gz NRFPZMUFLOWNCI-NSHDSACASA-N 0 0 402.401 2.685 20 10 HFCDRN CN(C)c1ccc([C@@H](CNC(=O)CCc2cncn2C)NC(=O)OC(C)(C)C)cc1 ZINC000793569806 1078212356 /nfs/dbraw/zinc/21/23/56/1078212356.db2.gz DBTZKJHIRGKIBZ-LJQANCHMSA-N 0 0 415.538 2.801 20 10 HFCDRN CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Br)ccc1O)C2 ZINC000793610287 1078227536 /nfs/dbraw/zinc/22/75/36/1078227536.db2.gz SFNRGNOJHCBHJB-UHFFFAOYSA-N 0 0 411.321 2.621 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000793680632 1078252511 /nfs/dbraw/zinc/25/25/11/1078252511.db2.gz SHMJURFJHJUOAF-CQSZACIVSA-N 0 0 417.303 2.959 20 10 HFCDRN Cc1ccn2cc(CNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)nc2c1 ZINC000793747888 1078289905 /nfs/dbraw/zinc/28/99/05/1078289905.db2.gz HGYQSYHNBZTANF-UHFFFAOYSA-N 0 0 405.502 2.516 20 10 HFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793795050 1078300005 /nfs/dbraw/zinc/30/00/05/1078300005.db2.gz BIOHSCAPGPAYKA-GFCCVEGCSA-N 0 0 421.519 2.983 20 10 HFCDRN COc1cc(N2CCN(C(=O)COC3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000793815547 1078315664 /nfs/dbraw/zinc/31/56/64/1078315664.db2.gz NZWQJTVSAHFWDJ-UHFFFAOYSA-N 0 0 406.523 2.956 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000793824185 1078317997 /nfs/dbraw/zinc/31/79/97/1078317997.db2.gz BVGLIRJOLUOANH-UHFFFAOYSA-N 0 0 401.482 2.913 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000793863835 1078327109 /nfs/dbraw/zinc/32/71/09/1078327109.db2.gz PFVDWIJGCIMUBU-QGZVFWFLSA-N 0 0 413.493 2.913 20 10 HFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cc(Cn2cccn2)on1 ZINC000794278658 1078399587 /nfs/dbraw/zinc/39/95/87/1078399587.db2.gz MUCAGUBMSWIZLZ-UHFFFAOYSA-N 0 0 417.416 2.920 20 10 HFCDRN COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000794378948 1078431269 /nfs/dbraw/zinc/43/12/69/1078431269.db2.gz HODXWMBHEQRRFP-INIZCTEOSA-N 0 0 417.849 2.576 20 10 HFCDRN C=Cc1ccc(CCNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000794383697 1078432631 /nfs/dbraw/zinc/43/26/31/1078432631.db2.gz PJCSUUVJALBLSZ-OUKQBFOZSA-N 0 0 419.525 2.902 20 10 HFCDRN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)c(O)c1 ZINC000794388908 1078433511 /nfs/dbraw/zinc/43/35/11/1078433511.db2.gz BXAASXGQWVDMJL-KRWDZBQOSA-N 0 0 418.515 2.577 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)c(O)c1 ZINC000794389930 1078433516 /nfs/dbraw/zinc/43/35/16/1078433516.db2.gz SNKVSMJFQZRAMY-MRXNPFEDSA-N 0 0 420.412 2.923 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)c(O)c1 ZINC000794390636 1078434236 /nfs/dbraw/zinc/43/42/36/1078434236.db2.gz NENKZIIKDHOETN-OAHLLOKOSA-N 0 0 418.877 2.598 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(CC3CC3)CC3CCC3)CC2)cc1 ZINC000794393903 1078434794 /nfs/dbraw/zinc/43/47/94/1078434794.db2.gz QHTKZEZOMGITSC-QXMHVHEDSA-N 0 0 411.546 2.939 20 10 HFCDRN CNC(=O)COc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1OC ZINC001129814258 1078511907 /nfs/dbraw/zinc/51/19/07/1078511907.db2.gz CZFXRBXOEILRSD-INIZCTEOSA-N 0 0 413.518 2.555 20 10 HFCDRN CCn1nc(C)c(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000804464789 1078528675 /nfs/dbraw/zinc/52/86/75/1078528675.db2.gz RXPHPSVXSDTLAN-UHFFFAOYSA-N 0 0 411.550 2.689 20 10 HFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCCN(c4ccc(F)c(F)c4)CC3)cc2N1 ZINC000804696686 1078537177 /nfs/dbraw/zinc/53/71/77/1078537177.db2.gz GCFAVPJSPMPAKD-UHFFFAOYSA-N 0 0 404.373 2.921 20 10 HFCDRN COc1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC001129549047 1078540218 /nfs/dbraw/zinc/54/02/18/1078540218.db2.gz JBRWVGJPIIKPCF-UHFFFAOYSA-N 0 0 407.373 2.648 20 10 HFCDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549078 1078540268 /nfs/dbraw/zinc/54/02/68/1078540268.db2.gz CEXBZCMMQBWEJC-ZDUSSCGKSA-N 0 0 406.477 2.647 20 10 HFCDRN CC(C)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000804726700 1078563470 /nfs/dbraw/zinc/56/34/70/1078563470.db2.gz PBSPGFASMOUIJU-PMACEKPBSA-N 0 0 401.551 2.813 20 10 HFCDRN COc1cccc2c1CC[C@H]2NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000804529285 1078566794 /nfs/dbraw/zinc/56/67/94/1078566794.db2.gz VYKUZSVBBPQMTH-YLJYHZDGSA-N 0 0 424.497 2.712 20 10 HFCDRN C[C@@H]1C(=O)Nc2cc(C(=O)NCc3cc(Br)ccc3O)ccc2N1C ZINC000804739422 1078575220 /nfs/dbraw/zinc/57/52/20/1078575220.db2.gz FYKLYBYZOMAJQF-SNVBAGLBSA-N 0 0 404.264 2.862 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000804734562 1078592550 /nfs/dbraw/zinc/59/25/50/1078592550.db2.gz QXCPYEOJZJARJB-SFHVURJKSA-N 0 0 423.282 2.984 20 10 HFCDRN O=C(CNC(=O)c1cc2ccccc2[nH]1)NCc1cc(Br)ccc1O ZINC000804739360 1078597544 /nfs/dbraw/zinc/59/75/44/1078597544.db2.gz XHJRUJCRNMJFLL-UHFFFAOYSA-N 0 0 402.248 2.682 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000804739258 1078597564 /nfs/dbraw/zinc/59/75/64/1078597564.db2.gz CPOONNPDOMDUHU-LJQANCHMSA-N 0 0 419.319 2.969 20 10 HFCDRN CCn1[nH]c(C)nc1=NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC001129727019 1078676910 /nfs/dbraw/zinc/67/69/10/1078676910.db2.gz IVYRWOFVNFPOBS-JLHYYAGUSA-N 0 0 421.573 2.710 20 10 HFCDRN CC[C@H](NC(=O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1nc(C)cs1 ZINC000804879249 1078704225 /nfs/dbraw/zinc/70/42/25/1078704225.db2.gz AERYLHKVURJDIQ-SFHVURJKSA-N 0 0 416.547 2.766 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(CCO)Cc2ccc(C)cc2)cc1F ZINC000804851846 1078719863 /nfs/dbraw/zinc/71/98/63/1078719863.db2.gz QRHMXJOROPWMRG-UHFFFAOYSA-N 0 0 415.509 2.618 20 10 HFCDRN CCN(CCc1nccs1)C(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851401 1078720727 /nfs/dbraw/zinc/72/07/27/1078720727.db2.gz AXZOUEUPQXCZAB-UHFFFAOYSA-N 0 0 406.527 2.836 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)cc1F ZINC000804851404 1078720888 /nfs/dbraw/zinc/72/08/88/1078720888.db2.gz BAEUBZXOLRNYMF-UHFFFAOYSA-N 0 0 418.538 2.698 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2csc([C@H](C)OC)n2)cc1F ZINC000804852562 1078721531 /nfs/dbraw/zinc/72/15/31/1078721531.db2.gz BTRTVBCINJVEDA-ZDUSSCGKSA-N 0 0 422.526 2.768 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](c3cccs3)C2)cc1F ZINC000804852908 1078724743 /nfs/dbraw/zinc/72/47/43/1078724743.db2.gz IEEBNVCYWSYKFS-GOSISDBHSA-N 0 0 419.522 2.950 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3c(n2)CCCC3)cc1F ZINC000804852851 1078724796 /nfs/dbraw/zinc/72/47/96/1078724796.db2.gz OUYIDOPIKIZQRH-UHFFFAOYSA-N 0 0 412.509 2.878 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(OC(F)F)cn2)cc1F ZINC000804853907 1078725833 /nfs/dbraw/zinc/72/58/33/1078725833.db2.gz XBZWVKRIIJDKHD-UHFFFAOYSA-N 0 0 424.423 2.601 20 10 HFCDRN C[C@H]1CC[C@@H]1NC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000804855982 1078727194 /nfs/dbraw/zinc/72/71/94/1078727194.db2.gz WCDZVYZFFFGUMG-ZBEGNZNMSA-N 0 0 405.432 2.630 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCOc1ccc(F)cc1F ZINC000804916122 1078737895 /nfs/dbraw/zinc/73/78/95/1078737895.db2.gz YCVLDZXJJYUNJL-UHFFFAOYSA-N 0 0 406.429 2.994 20 10 HFCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc(C)cs1 ZINC000804887229 1078745696 /nfs/dbraw/zinc/74/56/96/1078745696.db2.gz WGFWKNQKCNMSOF-GOSISDBHSA-N 0 0 416.547 2.514 20 10 HFCDRN O=C(NCCc1nnc2n1CCCCC2)NCc1cc(Br)ccc1O ZINC000804898401 1078754475 /nfs/dbraw/zinc/75/44/75/1078754475.db2.gz GHDWJOMDHIKTNY-UHFFFAOYSA-N 0 0 408.300 2.515 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)C(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC001129993110 1078760617 /nfs/dbraw/zinc/76/06/17/1078760617.db2.gz HXJCZMHXZBEZLL-QGZVFWFLSA-N 0 0 404.470 2.706 20 10 HFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cnc(NC(C)=O)s2)cc1F ZINC000804991476 1078795154 /nfs/dbraw/zinc/79/51/54/1078795154.db2.gz TXSMJPHQALMKNZ-UHFFFAOYSA-N 0 0 400.501 2.565 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000804962801 1078801057 /nfs/dbraw/zinc/80/10/57/1078801057.db2.gz IULPQESFZSXKRX-SNVBAGLBSA-N 0 0 410.234 2.838 20 10 HFCDRN COC(=O)N1CCC(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000804968737 1078804341 /nfs/dbraw/zinc/80/43/41/1078804341.db2.gz JMMPTSQNQAOGFR-UHFFFAOYSA-N 0 0 406.552 2.517 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@]4(CCCOC4)C3)cc2F)C[C@H](C)O1 ZINC000804970596 1078805962 /nfs/dbraw/zinc/80/59/62/1078805962.db2.gz YDYXOSBZJDAYLG-HYFFOGBASA-N 0 0 421.513 2.530 20 10 HFCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1nncn1C ZINC000804970163 1078806429 /nfs/dbraw/zinc/80/64/29/1078806429.db2.gz VNFYGPWGMKTXNW-ZRGWGRIASA-N 0 0 418.517 2.764 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc2)CC1 ZINC000805026759 1078838487 /nfs/dbraw/zinc/83/84/87/1078838487.db2.gz ZXCPAYRIXRSWQZ-DENIHFKCSA-N 0 0 423.561 2.845 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCc3nn(C)c4ccccc34)cc2)CC1 ZINC000805025235 1078838508 /nfs/dbraw/zinc/83/85/08/1078838508.db2.gz LJCGQCFQMHVRJZ-UHFFFAOYSA-N 0 0 419.529 2.742 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@H]3CCO[C@@H](C)C3)cc2)CC1 ZINC000805020809 1078831190 /nfs/dbraw/zinc/83/11/90/1078831190.db2.gz ZMJQSKJHVDPTQE-OALUTQOASA-N 0 0 401.551 2.861 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCC[C@@H]3CCO[C@@H](C)C3)cc2)CC1 ZINC000805020811 1078831268 /nfs/dbraw/zinc/83/12/68/1078831268.db2.gz ZMJQSKJHVDPTQE-RBUKOAKNSA-N 0 0 401.551 2.861 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)cc2)CC1 ZINC000805020341 1078832199 /nfs/dbraw/zinc/83/21/99/1078832199.db2.gz RYDQSINUINUSMQ-UHFFFAOYSA-N 0 0 409.534 2.668 20 10 HFCDRN C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805023939 1078834229 /nfs/dbraw/zinc/83/42/29/1078834229.db2.gz NIHMWFGEBMAIFA-WIYYLYMNSA-N 0 0 401.551 2.691 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000805023333 1078835440 /nfs/dbraw/zinc/83/54/40/1078835440.db2.gz FUAYLBCBVBFHSB-IBGZPJMESA-N 0 0 409.534 2.668 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4c[nH]cn4)CC3)cc2)CC1 ZINC000805023190 1078835892 /nfs/dbraw/zinc/83/58/92/1078835892.db2.gz CONNYLQUOJSCJP-UHFFFAOYSA-N 0 0 409.534 2.668 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000805025301 1078837976 /nfs/dbraw/zinc/83/79/76/1078837976.db2.gz NFGIYEVNFFYMME-XMMPIXPASA-N 0 0 413.562 2.958 20 10 HFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000805057667 1078870765 /nfs/dbraw/zinc/87/07/65/1078870765.db2.gz VAJMUFOPGCYYLJ-QFIPXVFZSA-N 0 0 407.514 2.594 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)NC[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000805092166 1078919430 /nfs/dbraw/zinc/91/94/30/1078919430.db2.gz XFLJMIFPFOEAAN-HXUWFJFHSA-N 0 0 422.595 2.536 20 10 HFCDRN Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805134974 1078931520 /nfs/dbraw/zinc/93/15/20/1078931520.db2.gz LXLBWTRCMJMPFL-UHFFFAOYSA-N 0 0 421.350 2.552 20 10 HFCDRN CN(C[C@H]1CCCN1C)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC001130098604 1078949027 /nfs/dbraw/zinc/94/90/27/1078949027.db2.gz ORSRQWDWCLQMDN-CYBMUJFWSA-N 0 0 407.426 2.536 20 10 HFCDRN C[C@@H](OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1nccn1C ZINC000805167246 1078957009 /nfs/dbraw/zinc/95/70/09/1078957009.db2.gz CTZHSQXDALNJFM-OWCLPIDISA-N 0 0 404.486 2.567 20 10 HFCDRN O=C(NCCNC(=O)c1ccccc1F)NCc1cc(Br)ccc1O ZINC000805221719 1078991507 /nfs/dbraw/zinc/99/15/07/1078991507.db2.gz MQMOEVUGCKULKP-UHFFFAOYSA-N 0 0 410.243 2.523 20 10 HFCDRN COC(=O)N1CCC([C@H](C)NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805310176 1079031236 /nfs/dbraw/zinc/03/12/36/1079031236.db2.gz LGEAVQYDWZYEEX-NSHDSACASA-N 0 0 414.300 2.821 20 10 HFCDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cc(Br)ccc1O ZINC000805359717 1079045904 /nfs/dbraw/zinc/04/59/04/1079045904.db2.gz NOVAPIYZAQCAHF-JTQLQIEISA-N 0 0 402.289 2.867 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccccc3S[C@H](C)C(N)=O)C2)cc1 ZINC001130185654 1079078557 /nfs/dbraw/zinc/07/85/57/1079078557.db2.gz NNCTWWBOONMAGB-HZPDHXFCSA-N 0 0 413.543 2.917 20 10 HFCDRN COC(=O)c1ccc(OC)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000747250415 1079126391 /nfs/dbraw/zinc/12/63/91/1079126391.db2.gz LPFYSGCNMBTIJU-UHFFFAOYSA-N 0 0 418.515 2.901 20 10 HFCDRN COc1cc(N2CCN(C(=O)NCC3(C(F)(F)F)CC3)CC2)cc(OC)c1OC ZINC000805816239 1079289479 /nfs/dbraw/zinc/28/94/79/1079289479.db2.gz VYYYUHJXNBJXCZ-UHFFFAOYSA-N 0 0 417.428 2.887 20 10 HFCDRN Cc1cc(CCNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000806040570 1079410513 /nfs/dbraw/zinc/41/05/13/1079410513.db2.gz JJCHTPDCWFQMSK-SFHVURJKSA-N 0 0 403.548 2.761 20 10 HFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000747303417 1079427788 /nfs/dbraw/zinc/42/77/88/1079427788.db2.gz LMCRWWGIBFMBPA-UHFFFAOYSA-N 0 0 406.470 2.858 20 10 HFCDRN CCc1nc([C@H](C)NC(=O)C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000806111604 1079441010 /nfs/dbraw/zinc/44/10/10/1079441010.db2.gz GBQNHLIAQWIYJZ-HNNXBMFYSA-N 0 0 416.547 2.630 20 10 HFCDRN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806145391 1079466671 /nfs/dbraw/zinc/46/66/71/1079466671.db2.gz BEJDYSNSZPGVSC-RHSMWYFYSA-N 0 0 416.349 2.673 20 10 HFCDRN CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(Cl)c1[O-] ZINC000806146786 1079467117 /nfs/dbraw/zinc/46/71/17/1079467117.db2.gz QMBMDRNYRGFVFS-KRWDZBQOSA-N 0 0 412.939 2.899 20 10 HFCDRN O=C(N[C@@H]1CSc2ccccc21)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000806151235 1079468033 /nfs/dbraw/zinc/46/80/33/1079468033.db2.gz JTDCEQZIEIZAQP-SJLPKXTDSA-N 0 0 412.511 2.863 20 10 HFCDRN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332688 1076744962 /nfs/dbraw/zinc/74/49/62/1076744962.db2.gz UGBTWRIAAGAWFW-GIMINZRKSA-N 0 0 409.486 2.591 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H](CC(N)=O)C3)c2C)cc1 ZINC000746673496 1076745724 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/nfs/dbraw/zinc/09/59/99/1080095999.db2.gz BTMCRVKBGXHSOB-UHFFFAOYSA-N 0 0 405.252 2.709 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCO[C@H](C)C3)cc2Cl)C1 ZINC000806957647 1080122249 /nfs/dbraw/zinc/12/22/49/1080122249.db2.gz VANMCRODGRAIAY-INMHGKMJSA-N 0 0 407.942 2.876 20 10 HFCDRN COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806943212 1080153216 /nfs/dbraw/zinc/15/32/16/1080153216.db2.gz RWJIVGOJYIMBAM-KRWDZBQOSA-N 0 0 420.506 2.734 20 10 HFCDRN C[C@@H]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000807011688 1080209706 /nfs/dbraw/zinc/20/97/06/1080209706.db2.gz HCKWRXYHCGEKPM-OAGGEKHMSA-N 0 0 409.477 2.925 20 10 HFCDRN COc1ccc(N2CCN(C(=O)c3[nH]cnc3C(=O)c3ccccc3)CC2)cc1F ZINC000807032921 1080225096 /nfs/dbraw/zinc/22/50/96/1080225096.db2.gz VHVMROKTKQVXJS-UHFFFAOYSA-N 0 0 408.433 2.751 20 10 HFCDRN COc1ccc(N2CC[C@H](NC(=O)CSc3ccc4c(c3)OCCO4)C2)cc1 ZINC001130827101 1080238786 /nfs/dbraw/zinc/23/87/86/1080238786.db2.gz SMEAPAJUEWCJJL-HNNXBMFYSA-N 0 0 400.500 2.954 20 10 HFCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C)CCC2 ZINC000807097428 1080276107 /nfs/dbraw/zinc/27/61/07/1080276107.db2.gz YIGLIEBCAHWDJR-GOSISDBHSA-N 0 0 400.548 2.978 20 10 HFCDRN COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807100072 1080277742 /nfs/dbraw/zinc/27/77/42/1080277742.db2.gz HNMPBVZSINWGOT-INIZCTEOSA-N 0 0 413.518 2.517 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000807099509 1080278560 /nfs/dbraw/zinc/27/85/60/1080278560.db2.gz XNTSKCKFUVRYHU-UHFFFAOYSA-N 0 0 418.881 2.598 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000807100377 1080279950 /nfs/dbraw/zinc/27/99/50/1080279950.db2.gz KFOAZRWONVIEHA-ZDUSSCGKSA-N 0 0 419.323 2.712 20 10 HFCDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807101575 1080280952 /nfs/dbraw/zinc/28/09/52/1080280952.db2.gz ADWACOPOPORODI-IBGZPJMESA-N 0 0 409.530 2.922 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000807101291 1080281508 /nfs/dbraw/zinc/28/15/08/1080281508.db2.gz WHOAMUJYPJROLU-UHFFFAOYSA-N 0 0 422.298 2.895 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NC[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000807115698 1080292025 /nfs/dbraw/zinc/29/20/25/1080292025.db2.gz CWXLVUSYJPLAHP-LJQANCHMSA-N 0 0 421.541 2.655 20 10 HFCDRN C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000807141152 1080301006 /nfs/dbraw/zinc/30/10/06/1080301006.db2.gz RIAUIBOOAAWTRR-QRFRQXIXSA-N 0 0 418.538 2.893 20 10 HFCDRN COc1cc(N2CCN(C(=O)c3ccnc4ccncc43)CC2)cc(OC)c1OC ZINC000807247490 1080405253 /nfs/dbraw/zinc/40/52/53/1080405253.db2.gz WTYRQPLYDXEJCO-UHFFFAOYSA-N 0 0 408.458 2.618 20 10 HFCDRN CC(C)(C)Oc1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000807289609 1080456135 /nfs/dbraw/zinc/45/61/35/1080456135.db2.gz BEWBWHAZKDTLJT-UHFFFAOYSA-N 0 0 408.502 2.568 20 10 HFCDRN CC[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)Oc1cccc(F)c1 ZINC000807290810 1080458394 /nfs/dbraw/zinc/45/83/94/1080458394.db2.gz AETQRDPBEAOHHD-HXUWFJFHSA-N 0 0 411.477 2.792 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000807291405 1080479671 /nfs/dbraw/zinc/47/96/71/1080479671.db2.gz JCAHQULMZXIYGC-JXFKEZNVSA-N 0 0 411.527 2.729 20 10 HFCDRN O=C(NCCCc1ccccc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000807315230 1080507753 /nfs/dbraw/zinc/50/77/53/1080507753.db2.gz XOCXQWCGSHGHMW-LJQANCHMSA-N 0 0 414.477 2.788 20 10 HFCDRN Cc1csc([C@@H](C)CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000807350922 1080556895 /nfs/dbraw/zinc/55/68/95/1080556895.db2.gz WCSKVIUSYIVIOI-WMLDXEAASA-N 0 0 417.531 2.585 20 10 HFCDRN Cn1ccc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc21 ZINC000807385521 1080581344 /nfs/dbraw/zinc/58/13/44/1080581344.db2.gz LZVGYJGQTURKEW-UHFFFAOYSA-N 0 0 402.248 2.901 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000807385382 1080581375 /nfs/dbraw/zinc/58/13/75/1080581375.db2.gz JXZSXGWNDQSOSU-UHFFFAOYSA-N 0 0 415.247 2.595 20 10 HFCDRN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807386581 1080582090 /nfs/dbraw/zinc/58/20/90/1080582090.db2.gz BCXRGPRCYLQNBC-SNVBAGLBSA-N 0 0 407.268 2.577 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000807387043 1080582454 /nfs/dbraw/zinc/58/24/54/1080582454.db2.gz WLCAZHCHTURRPK-UHFFFAOYSA-N 0 0 415.247 2.595 20 10 HFCDRN CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807386794 1080583348 /nfs/dbraw/zinc/58/33/48/1080583348.db2.gz JPCKJYDFSAKWNL-UHFFFAOYSA-N 0 0 423.263 2.817 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCCCOC(C)C ZINC000807467665 1080645163 /nfs/dbraw/zinc/64/51/63/1080645163.db2.gz XAIZOKPFNRKWQB-UHFFFAOYSA-N 0 0 415.328 2.825 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)cc1 ZINC000807504519 1080705393 /nfs/dbraw/zinc/70/53/93/1080705393.db2.gz POMYXOBJEJFTEH-XMMPIXPASA-N 0 0 411.546 2.905 20 10 HFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000807512472 1080718732 /nfs/dbraw/zinc/71/87/32/1080718732.db2.gz WJIZCUXHFHBUTL-UHFFFAOYSA-N 0 0 406.229 2.535 20 10 HFCDRN COC[C@]1(CNC(=O)N(C)Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000807550477 1080766089 /nfs/dbraw/zinc/76/60/89/1080766089.db2.gz HWGYATQPAXEBFR-OAQYLSRUSA-N 0 0 407.511 2.950 20 10 HFCDRN CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807528092 1080780411 /nfs/dbraw/zinc/78/04/11/1080780411.db2.gz BADYGCHSZOGIRL-KRWDZBQOSA-N 0 0 421.519 2.511 20 10 HFCDRN O=C(COc1ccc([C@H]2CCOC2)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790519942 1078049735 /nfs/dbraw/zinc/04/97/35/1078049735.db2.gz RRDSKVJNDCNBDE-IBGZPJMESA-N 0 0 414.477 2.861 20 10 HFCDRN COc1ccc(N2CCN(C(=O)CSC[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000790568909 1078057706 /nfs/dbraw/zinc/05/77/06/1078057706.db2.gz LASKZRMZBURDMU-GOSISDBHSA-N 0 0 404.532 2.563 20 10 HFCDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])cc2)C1=O ZINC000790612294 1078075346 /nfs/dbraw/zinc/07/53/46/1078075346.db2.gz WRXWTNBFTKAXMJ-OAQYLSRUSA-N 0 0 410.430 2.815 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)c(C)n1-c1ccc(C)cc1 ZINC000790687678 1078097047 /nfs/dbraw/zinc/09/70/47/1078097047.db2.gz VPGDSZMDKVUFNM-DEOSSOPVSA-N 0 0 422.481 2.741 20 10 HFCDRN CCc1nn(C)c(CC)c1CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000790696603 1078098959 /nfs/dbraw/zinc/09/89/59/1078098959.db2.gz UOEKCALYTPQITL-UHFFFAOYSA-N 0 0 402.514 2.504 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CC2)cc1 ZINC000790702858 1078100393 /nfs/dbraw/zinc/10/03/93/1078100393.db2.gz SQOLEEDNGLQSHV-HOIFWPIMSA-N 0 0 403.523 2.642 20 10 HFCDRN CCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1c1cncn1C ZINC000793279709 1078126311 /nfs/dbraw/zinc/12/63/11/1078126311.db2.gz HLSBXRTXIDWGSE-IIBYNOLFSA-N 0 0 415.513 2.631 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCOCCC(C)C ZINC000793757865 1078279252 /nfs/dbraw/zinc/27/92/52/1078279252.db2.gz UIRMVVZSKQQEMV-UHFFFAOYSA-N 0 0 415.328 2.682 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cn3ccc(C)cc3n2)cc1 ZINC000793744276 1078287890 /nfs/dbraw/zinc/28/78/90/1078287890.db2.gz PKHVMAGMUJUEFQ-UHFFFAOYSA-N 0 0 407.518 2.764 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H](C)Cc3ccsc3)CC2)cc1 ZINC000793790372 1078297302 /nfs/dbraw/zinc/29/73/02/1078297302.db2.gz LKKWOWPCAARCKS-INIZCTEOSA-N 0 0 401.532 2.543 20 10 HFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCCO3)cc2Cl)C1 ZINC000793796160 1078300468 /nfs/dbraw/zinc/30/04/68/1078300468.db2.gz URZUDHKDIMBDMG-WBVHZDCISA-N 0 0 407.942 2.878 20 10 HFCDRN CC[C@@H](C)CC[C@H](O)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000793815520 1078315824 /nfs/dbraw/zinc/31/58/24/1078315824.db2.gz NTIZXFGODRLNPW-AEFFLSMTSA-N 0 0 408.539 2.938 20 10 HFCDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793825254 1078318192 /nfs/dbraw/zinc/31/81/92/1078318192.db2.gz NINYURZEUQHKRL-SFHVURJKSA-N 0 0 409.530 2.992 20 10 HFCDRN C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793825246 1078318208 /nfs/dbraw/zinc/31/82/08/1078318208.db2.gz NINYURZEUQHKRL-GOSISDBHSA-N 0 0 409.530 2.992 20 10 HFCDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000793827401 1078318924 /nfs/dbraw/zinc/31/89/24/1078318924.db2.gz IXNDYEVNVPRIFW-LJQANCHMSA-N 0 0 407.514 2.880 20 10 HFCDRN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000747154005 1078326100 /nfs/dbraw/zinc/32/61/00/1078326100.db2.gz HRTRNJNQIOOKPG-UHFFFAOYSA-N 0 0 421.588 2.914 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(OC)cc1OC ZINC000793861973 1078326405 /nfs/dbraw/zinc/32/64/05/1078326405.db2.gz BOAAICPGSAGIEW-UHFFFAOYSA-N 0 0 400.475 2.507 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000793864467 1078326966 /nfs/dbraw/zinc/32/69/66/1078326966.db2.gz QXZUSHOYMSDJNW-CQSZACIVSA-N 0 0 422.551 2.523 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000793863833 1078327168 /nfs/dbraw/zinc/32/71/68/1078327168.db2.gz PFVDWIJGCIMUBU-KRWDZBQOSA-N 0 0 413.493 2.913 20 10 HFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000793867658 1078328339 /nfs/dbraw/zinc/32/83/39/1078328339.db2.gz QLYQXFZVMOQZKT-HOTGVXAUSA-N 0 0 401.532 2.948 20 10 HFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000794359982 1078424662 /nfs/dbraw/zinc/42/46/62/1078424662.db2.gz GZNYYXIMIFUKJE-QUZHSLKNSA-N 0 0 417.259 2.573 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(O)c1 ZINC000794371254 1078429721 /nfs/dbraw/zinc/42/97/21/1078429721.db2.gz ZXDPTGZBQOSFLZ-ZDUSSCGKSA-N 0 0 419.275 2.833 20 10 HFCDRN COc1ccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794378282 1078431266 /nfs/dbraw/zinc/43/12/66/1078431266.db2.gz UDBOUFZBVJLIPH-UHFFFAOYSA-N 0 0 414.487 2.663 20 10 HFCDRN COc1ccc(CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(O)c1 ZINC000794379298 1078431512 /nfs/dbraw/zinc/43/15/12/1078431512.db2.gz ORTFLUFFAQWZBJ-UHFFFAOYSA-N 0 0 423.395 2.723 20 10 HFCDRN COc1ccc(CNC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c(O)c1 ZINC000794380384 1078432024 /nfs/dbraw/zinc/43/20/24/1078432024.db2.gz YSTAJWPNFMHEDV-UHFFFAOYSA-N 0 0 404.373 2.821 20 10 HFCDRN COc1cccc([C@@H]2[C@@H](C(=O)NCc3ccc(OC)cc3O)CC(=O)N2C2CC2)c1 ZINC000794387860 1078433447 /nfs/dbraw/zinc/43/34/47/1078433447.db2.gz NWVYNXZGJPTOJD-SIKLNZKXSA-N 0 0 410.470 2.778 20 10 HFCDRN CCn1nc(C)c(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)c1C ZINC000804463719 1078527495 /nfs/dbraw/zinc/52/74/95/1078527495.db2.gz WLXMQPZTQOWWRM-UHFFFAOYSA-N 0 0 410.474 2.664 20 10 HFCDRN CC(C)n1[nH]cnc1=NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001129841726 1078527508 /nfs/dbraw/zinc/52/75/08/1078527508.db2.gz YNXMAVGKIRZWKI-ZROIWOOFSA-N 0 0 419.507 2.650 20 10 HFCDRN Cc1nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nn1-c1ccccc1 ZINC001129549108 1078540280 /nfs/dbraw/zinc/54/02/80/1078540280.db2.gz COHNVKPVBJXLHL-UHFFFAOYSA-N 0 0 413.428 2.621 20 10 HFCDRN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549626 1078541047 /nfs/dbraw/zinc/54/10/47/1078541047.db2.gz QMRBGYJNJXDUNF-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/59/56/41/1078595641.db2.gz GQQDLLZYILFSHF-UHFFFAOYSA-N 0 0 416.069 2.877 20 10 HFCDRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCc1cc(Br)ccc1O ZINC000804738130 1078596902 /nfs/dbraw/zinc/59/69/02/1078596902.db2.gz CXXXKUOAYHJFMY-AWEZNQCLSA-N 0 0 400.317 2.893 20 10 HFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804737885 1078597122 /nfs/dbraw/zinc/59/71/22/1078597122.db2.gz SPONUDUBRXFSBC-MFKMUULPSA-N 0 0 401.326 2.719 20 10 HFCDRN O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129661298 1078622540 /nfs/dbraw/zinc/62/25/40/1078622540.db2.gz JDAANUJCOGRLKR-SFHVURJKSA-N 0 0 402.397 2.719 20 10 HFCDRN CCN1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])[C@H](C)C1 ZINC000804795831 1078629593 /nfs/dbraw/zinc/62/95/93/1078629593.db2.gz ZIEWJVPTQMCBHI-SECBINFHSA-N 0 0 403.233 2.805 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCc2ccccc2OC)cc1F ZINC000804850839 1078719112 /nfs/dbraw/zinc/71/91/12/1078719112.db2.gz ROZCOWOUYTUSLG-UHFFFAOYSA-N 0 0 415.509 2.998 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COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000789610294 1077707665 /nfs/dbraw/zinc/70/76/65/1077707665.db2.gz HXUGJWBWIBDODH-QFIPXVFZSA-N 0 0 407.514 2.694 20 10 HFCDRN O=C(NCCOC(F)(F)F)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000789687090 1077727936 /nfs/dbraw/zinc/72/79/36/1077727936.db2.gz QREBVWWEYVJDTI-UHFFFAOYSA-N 0 0 408.288 2.636 20 10 HFCDRN O=C(NCc1ccc2ncccc2c1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000789694471 1077731186 /nfs/dbraw/zinc/73/11/86/1077731186.db2.gz BWDJCOJKDKFKFN-HXUWFJFHSA-N 0 0 419.481 2.764 20 10 HFCDRN C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S)c1ncnn1C ZINC000789695374 1077732286 /nfs/dbraw/zinc/73/22/86/1077732286.db2.gz SKIUBQDBLCARLF-KWJWQAOWSA-N 0 0 421.573 2.735 20 10 HFCDRN CN1c2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2CC1=O ZINC000789757732 1077764123 /nfs/dbraw/zinc/76/41/23/1077764123.db2.gz PCVDSJOQSUPFST-UHFFFAOYSA-N 0 0 406.486 2.950 20 10 HFCDRN Cc1cc(Br)cc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O ZINC000789768349 1077769288 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406.885 2.992 20 10 HFCDRN Cc1c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cccc1NC(=O)N(C)C ZINC000792328505 1077809506 /nfs/dbraw/zinc/80/95/06/1077809506.db2.gz PUBNOOIISASVPC-UHFFFAOYSA-N 0 0 423.517 2.944 20 10 HFCDRN C[C@H](CC1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789836678 1077815800 /nfs/dbraw/zinc/81/58/00/1077815800.db2.gz UQYYDIPHDSZOAD-MRXNPFEDSA-N 0 0 419.541 2.878 20 10 HFCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789840652 1077816799 /nfs/dbraw/zinc/81/67/99/1077816799.db2.gz LWYKVYULAWYSDE-MDYRTPRTSA-N 0 0 417.525 2.583 20 10 HFCDRN CCC1CCC(CNC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000789841446 1077816831 /nfs/dbraw/zinc/81/68/31/1077816831.db2.gz YHLPWIRJRQDZRB-UHFFFAOYSA-N 0 0 419.541 2.736 20 10 HFCDRN CC[C@@H]1CCCCCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789843644 1077818509 /nfs/dbraw/zinc/81/85/09/1077818509.db2.gz NBLIVAAKLSOROX-QGZVFWFLSA-N 0 0 405.514 2.584 20 10 HFCDRN CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000789845293 1077818531 /nfs/dbraw/zinc/81/85/31/1077818531.db2.gz VZIDTGJZEUKXJC-OXQOHEQNSA-N 0 0 419.541 2.830 20 10 HFCDRN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000789812149 1077821632 /nfs/dbraw/zinc/82/16/32/1077821632.db2.gz JEZFQWOCIUVMLF-UHFFFAOYSA-N 0 0 405.514 2.611 20 10 HFCDRN CC1(C)CCC(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789814292 1077823784 /nfs/dbraw/zinc/82/37/84/1077823784.db2.gz ZZNIUJTZVYISRC-UHFFFAOYSA-N 0 0 405.514 2.611 20 10 HFCDRN C[C@H]1CN(c2ccc(CNC(=O)C(=O)NC3CCC4(CC4)CC3)cc2F)C[C@H](C)O1 ZINC000789821590 1077827158 /nfs/dbraw/zinc/82/71/58/1077827158.db2.gz UADYIVKSPQWACT-HOTGVXAUSA-N 0 0 417.525 2.895 20 10 HFCDRN CC[C@H](C)CN(CC)C(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000789821023 1077827407 /nfs/dbraw/zinc/82/74/07/1077827407.db2.gz RVAHCWDDBSTOPX-ULQDDVLXSA-N 0 0 407.530 2.950 20 10 HFCDRN Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C2CC2)o1 ZINC000789854563 1077839159 /nfs/dbraw/zinc/83/91/59/1077839159.db2.gz BRVGCMWVLKANBA-UHFFFAOYSA-N 0 0 413.543 2.949 20 10 HFCDRN CS[C@@H]1CCCCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000789853888 1077839439 /nfs/dbraw/zinc/83/94/39/1077839439.db2.gz AUYPFRLDCVOVTJ-GOSISDBHSA-N 0 0 407.605 2.600 20 10 HFCDRN CN(Cc1ccc(F)cc1F)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789853892 1077839492 /nfs/dbraw/zinc/83/94/92/1077839492.db2.gz AXZGETCUMKDBEG-UHFFFAOYSA-N 0 0 419.497 2.793 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000789859633 1077840950 /nfs/dbraw/zinc/84/09/50/1077840950.db2.gz CEQGGVQKVICENV-GUDVDZBRSA-N 0 0 401.576 2.941 20 10 HFCDRN O=C(NCCc1cccc2[nH]ccc21)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789861825 1077842178 /nfs/dbraw/zinc/84/21/78/1077842178.db2.gz RYUCHQNJXUGQBF-UHFFFAOYSA-N 0 0 422.554 2.696 20 10 HFCDRN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000789863250 1077842429 /nfs/dbraw/zinc/84/24/29/1077842429.db2.gz FFEBCGMQPMEDCE-IBGZPJMESA-N 0 0 414.531 2.516 20 10 HFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1)c1nccs1 ZINC000789863871 1077842919 /nfs/dbraw/zinc/84/29/19/1077842919.db2.gz KMIYMWVEKHDHSE-MRXNPFEDSA-N 0 0 404.561 2.580 20 10 HFCDRN Cc1cnc([C@H](C)CNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000789869631 1077844499 /nfs/dbraw/zinc/84/44/99/1077844499.db2.gz WPODIUJQHGFALO-CQSZACIVSA-N 0 0 418.588 2.541 20 10 HFCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000789869712 1077844996 /nfs/dbraw/zinc/84/49/96/1077844996.db2.gz XHNLJTFMYWYQLG-AZUAARDMSA-N 0 0 419.591 2.566 20 10 HFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789909864 1077857973 /nfs/dbraw/zinc/85/79/73/1077857973.db2.gz LZZFWXVUVQRULO-MJGOQNOKSA-N 0 0 410.580 2.942 20 10 HFCDRN C[C@H]1CN(c2ccnc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2)C[C@H](C)O1 ZINC000789948578 1077864284 /nfs/dbraw/zinc/86/42/84/1077864284.db2.gz AIFFSLMOIGQRAZ-OALUTQOASA-N 0 0 424.545 2.804 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCCN3C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000789959080 1077870017 /nfs/dbraw/zinc/87/00/17/1077870017.db2.gz NXTICLDNMVRCBX-YVHKJVDXSA-N 0 0 419.541 2.699 20 10 HFCDRN Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nnn1CC1CCCC1 ZINC000789965415 1077873519 /nfs/dbraw/zinc/87/35/19/1077873519.db2.gz DYUUUTXLFABOLP-UHFFFAOYSA-N 0 0 415.513 2.807 20 10 HFCDRN C[C@@H]1C[C@H](C)N1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000792527277 1077887030 /nfs/dbraw/zinc/88/70/30/1077887030.db2.gz CPOVZYWKEKAQMI-TXEJJXNPSA-N 0 0 405.432 2.724 20 10 HFCDRN C[C@H]1C[C@H](C)N1C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000792527275 1077887163 /nfs/dbraw/zinc/88/71/63/1077887163.db2.gz CPOVZYWKEKAQMI-RYUDHWBXSA-N 0 0 405.432 2.724 20 10 HFCDRN C[C@H](NS(=O)(=O)CCc1ccc2c(c1)CCO2)c1ccc(N2CCOCC2)cc1 ZINC000790010948 1077912144 /nfs/dbraw/zinc/91/21/44/1077912144.db2.gz PLQHWYWZMFSORC-KRWDZBQOSA-N 0 0 416.543 2.681 20 10 HFCDRN CC(C)(C)OC1CC(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000792592382 1077926504 /nfs/dbraw/zinc/92/65/04/1077926504.db2.gz TZGGEMCWUNXHOX-FDYSRKEFSA-N 0 0 401.551 2.988 20 10 HFCDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](c1nccs1)c1ccccc1)cc2=O ZINC000746871809 1077937615 /nfs/dbraw/zinc/93/76/15/1077937615.db2.gz NVOKQXMTKAIPAX-QGZVFWFLSA-N 0 0 409.471 2.947 20 10 HFCDRN O=C(CNc1ncc(NC(=O)c2ccc(F)c(F)c2)cn1)c1ccc(O)c(O)c1 ZINC001170317052 1077941508 /nfs/dbraw/zinc/94/15/08/1077941508.db2.gz XBFYBEQXPUSFEC-UHFFFAOYSA-N 0 0 400.341 2.713 20 10 HFCDRN O=C(CNc1nnc(Br)cc1Br)c1ccc(O)c(O)c1 ZINC001170322646 1077943367 /nfs/dbraw/zinc/94/33/67/1077943367.db2.gz KFFDOXKLXYQUEA-UHFFFAOYSA-N 0 0 403.030 2.708 20 10 HFCDRN COC(=O)c1cc(F)c(F)cc1NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000757477924 1077952804 /nfs/dbraw/zinc/95/28/04/1077952804.db2.gz NCBXPQQDGNHVEN-UHFFFAOYSA-N 0 0 419.428 2.521 20 10 HFCDRN Cn1cc([C@H]2CSCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000790198011 1077968279 /nfs/dbraw/zinc/96/82/79/1077968279.db2.gz OAFNTYJMYXTCEL-LJQANCHMSA-N 0 0 417.604 2.973 20 10 HFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000792702773 1077978618 /nfs/dbraw/zinc/97/86/18/1077978618.db2.gz ZXMHTLAJAUFAJD-UHFFFAOYSA-N 0 0 406.489 2.622 20 10 HFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000790284304 1077985204 /nfs/dbraw/zinc/98/52/04/1077985204.db2.gz QLNLREOPFYGMSH-QGZVFWFLSA-N 0 0 422.476 2.663 20 10 HFCDRN CSc1c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cnn1C ZINC000790351523 1078002104 /nfs/dbraw/zinc/00/21/04/1078002104.db2.gz BBWIOUJVNZABSI-UHFFFAOYSA-N 0 0 414.453 2.927 20 10 HFCDRN C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000790332302 1078005770 /nfs/dbraw/zinc/00/57/70/1078005770.db2.gz NTUWIOXBTIAAGH-UZLBHIALSA-N 0 0 414.527 2.662 20 10 HFCDRN CN(C)c1ccc(CNc2cccc(C(=O)NCCC(N)=O)c2)c(C(F)(F)F)c1 ZINC000792873173 1078021777 /nfs/dbraw/zinc/02/17/77/1078021777.db2.gz QRAJDGQBIAYQFL-UHFFFAOYSA-N 0 0 408.424 2.989 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000790434043 1078029524 /nfs/dbraw/zinc/02/95/24/1078029524.db2.gz KPNNSSAFOJYRBZ-HXUWFJFHSA-N 0 0 414.527 2.741 20 10 HFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)nc1Br ZINC000792972223 1078029751 /nfs/dbraw/zinc/02/97/51/1078029751.db2.gz AAZUHQIXWMYZAL-UHFFFAOYSA-N 0 0 409.259 2.613 20 10 HFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(Br)n2)c1 ZINC000792980703 1078031735 /nfs/dbraw/zinc/03/17/35/1078031735.db2.gz UWLAIRDCLRUINT-JTQLQIEISA-N 0 0 408.252 2.683 20 10 HFCDRN Cc1c(CN(C)[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cnn1C ZINC000790449177 1078034792 /nfs/dbraw/zinc/03/47/92/1078034792.db2.gz ZCZAKCQZEWVAJB-HNNXBMFYSA-N 0 0 416.481 2.963 20 10 HFCDRN COc1cc(F)c([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000806218899 1079504521 /nfs/dbraw/zinc/50/45/21/1079504521.db2.gz ZYKSUFBTRANHMC-ZIAGYGMSSA-N 0 0 417.481 2.964 20 10 HFCDRN CN(C(=O)C(=O)NCCCSc1nccs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000806275611 1079538384 /nfs/dbraw/zinc/53/83/84/1079538384.db2.gz NQWRILFHCBQZCE-KRWDZBQOSA-N 0 0 418.588 2.869 20 10 HFCDRN CCn1ccnc1[C@H]1CCCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806278556 1079541800 /nfs/dbraw/zinc/54/18/00/1079541800.db2.gz VIBJUDBWYOAWDZ-CQSZACIVSA-N 0 0 407.565 2.712 20 10 HFCDRN Cc1ccc(C2CCN(C(=O)C(=O)NCCCSc3nccs3)CC2)cn1 ZINC000806279658 1079542987 /nfs/dbraw/zinc/54/29/87/1079542987.db2.gz VOKIILJFYZOPOW-UHFFFAOYSA-N 0 0 404.561 2.851 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H](c2ccccc2)O1 ZINC000806282017 1079544125 /nfs/dbraw/zinc/54/41/25/1079544125.db2.gz FSWQGWKGKQRXQH-GOEBONIOSA-N 0 0 405.545 2.730 20 10 HFCDRN COc1ccc(C2(CNC(=O)C(=O)NCCCSc3nccs3)CCC2)cc1 ZINC000806282332 1079546018 /nfs/dbraw/zinc/54/60/18/1079546018.db2.gz VBYDXZCRQLRPJU-UHFFFAOYSA-N 0 0 419.572 2.988 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000806457700 1079730283 /nfs/dbraw/zinc/73/02/83/1079730283.db2.gz RGUZCZLSYDNUST-GOSISDBHSA-N 0 0 419.419 2.651 20 10 HFCDRN Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000806493864 1079745143 /nfs/dbraw/zinc/74/51/43/1079745143.db2.gz GMYVGOLEIZNSAA-QGZVFWFLSA-N 0 0 413.522 2.728 20 10 HFCDRN Cn1cc(-c2ccc(NC(=O)NCc3cc(Br)ccc3O)nn2)cn1 ZINC000806496586 1079748671 /nfs/dbraw/zinc/74/86/71/1079748671.db2.gz DKWMWCAJUYLRTM-UHFFFAOYSA-N 0 0 403.240 2.667 20 10 HFCDRN C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc[nH]1 ZINC000806521330 1079798905 /nfs/dbraw/zinc/79/89/05/1079798905.db2.gz KWANGINHRHOUNU-KBPBESRZSA-N 0 0 406.433 2.579 20 10 HFCDRN COCCc1ccnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000806658697 1079877850 /nfs/dbraw/zinc/87/78/50/1079877850.db2.gz XJZIGUUDMMNYTM-UHFFFAOYSA-N 0 0 402.470 2.692 20 10 HFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1F ZINC000806633703 1079890244 /nfs/dbraw/zinc/89/02/44/1079890244.db2.gz APYXXLVRGRSRMX-AWEZNQCLSA-N 0 0 418.435 2.882 20 10 HFCDRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806637352 1079893353 /nfs/dbraw/zinc/89/33/53/1079893353.db2.gz DPRJKALKTYFVPC-UHFFFAOYSA-N 0 0 415.515 2.938 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)c1 ZINC000806637265 1079893662 /nfs/dbraw/zinc/89/36/62/1079893662.db2.gz AQIIHABTCACWQR-GFCCVEGCSA-N 0 0 408.476 2.837 20 10 HFCDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000806683354 1079911055 /nfs/dbraw/zinc/91/10/55/1079911055.db2.gz GVWQTYKMLGZJKT-IBGZPJMESA-N 0 0 418.538 2.974 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000806704888 1079935337 /nfs/dbraw/zinc/93/53/37/1079935337.db2.gz SWCUEVJJXRBYBB-WEQDKIBNSA-N 0 0 417.550 2.539 20 10 HFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000806742444 1079997065 /nfs/dbraw/zinc/99/70/65/1079997065.db2.gz JVXTVRJNSCXJAU-LBPRGKRZSA-N 0 0 407.417 2.965 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000806789825 1080011353 /nfs/dbraw/zinc/01/13/53/1080011353.db2.gz BDEZQQZQFXZVCS-FQEVSTJZSA-N 0 0 411.502 2.750 20 10 HFCDRN CCc1ccc([C@@H](COC)NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)o1 ZINC000806792837 1080013988 /nfs/dbraw/zinc/01/39/88/1080013988.db2.gz FYRNOMDYPSYQRZ-LJQANCHMSA-N 0 0 401.507 2.760 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000806808824 1080023901 /nfs/dbraw/zinc/02/39/01/1080023901.db2.gz OCXMJQYRMBUEIN-AWEZNQCLSA-N 0 0 413.312 2.577 20 10 HFCDRN COCc1csc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000806843240 1080029640 /nfs/dbraw/zinc/02/96/40/1080029640.db2.gz HNGMMGPKOMSAPL-UHFFFAOYSA-N 0 0 401.444 2.756 20 10 HFCDRN CC(=O)c1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1F ZINC000806843997 1080030297 /nfs/dbraw/zinc/03/02/97/1080030297.db2.gz MSOPDUZSPIDLBE-QGZVFWFLSA-N 0 0 414.433 2.880 20 10 HFCDRN CC(C)(O)c1cccc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000806843904 1080030658 /nfs/dbraw/zinc/03/06/58/1080030658.db2.gz LMJDDKMQVSNDTH-LJQANCHMSA-N 0 0 412.486 2.766 20 10 HFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000806855727 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000807099860 1080278632 /nfs/dbraw/zinc/27/86/32/1080278632.db2.gz CWWCDOKIRFMGPO-LJQANCHMSA-N 0 0 409.486 2.770 20 10 HFCDRN CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)Oc1cccc(F)c1 ZINC000807103376 1080282839 /nfs/dbraw/zinc/28/28/39/1080282839.db2.gz PEJTYDCZDHPROW-LJQANCHMSA-N 0 0 401.482 2.790 20 10 HFCDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000807139750 1080299405 /nfs/dbraw/zinc/29/94/05/1080299405.db2.gz HKXZUWMTVGYVEM-IAGOWNOFSA-N 0 0 424.611 2.905 20 10 HFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000807288901 1080454010 /nfs/dbraw/zinc/45/40/10/1080454010.db2.gz CBCJTIDZZLSEOY-SFHVURJKSA-N 0 0 415.497 2.742 20 10 HFCDRN CN(Cc1nc2c(s1)CCCC2)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289669 1080456618 /nfs/dbraw/zinc/45/66/18/1080456618.db2.gz DPOFXNMSTSPDAE-UHFFFAOYSA-N 0 0 410.543 2.673 20 10 HFCDRN COc1ccccc1C1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000807291137 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CC(=O)N[C@H](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccs1 ZINC001129549204 1078540631 /nfs/dbraw/zinc/54/06/31/1078540631.db2.gz LXDNSGNAUQLOTL-QGZVFWFLSA-N 0 0 423.485 2.747 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001129549888 1078541580 /nfs/dbraw/zinc/54/15/80/1078541580.db2.gz XCPPASJHFNVPKH-GHTZIAJQSA-N 0 0 410.461 2.536 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000804739459 1078575294 /nfs/dbraw/zinc/57/52/94/1078575294.db2.gz GTDRDTBUKRQRDB-UHFFFAOYSA-N 0 0 416.275 2.950 20 10 HFCDRN Cc1ccc(C(=O)NCCC(=O)NCc2cc(Br)ccc2O)c(O)c1 ZINC000804733293 1078591740 /nfs/dbraw/zinc/59/17/40/1078591740.db2.gz NTIXVKRTBUZWSN-UHFFFAOYSA-N 0 0 407.264 2.605 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804732822 1078592162 /nfs/dbraw/zinc/59/21/62/1078592162.db2.gz CQKAHFXGIUTDDX-UHFFFAOYSA-N 0 0 409.221 2.998 20 10 HFCDRN O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cc(Br)ccc1O ZINC000804732923 1078592204 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CS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804738074 1078596851 /nfs/dbraw/zinc/59/68/51/1078596851.db2.gz BEFWWPXHMCTSMJ-UHFFFAOYSA-N 0 0 402.241 2.627 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000804739350 1078597610 /nfs/dbraw/zinc/59/76/10/1078597610.db2.gz WULOISOLAKHYJI-AWEZNQCLSA-N 0 0 410.289 2.732 20 10 HFCDRN C[C@@H]1Oc2ccccc2N(CC(=O)NCc2cc(Br)ccc2O)C1=O ZINC000804738758 1078597648 /nfs/dbraw/zinc/59/76/48/1078597648.db2.gz CSERFJZPXNMKSV-NSHDSACASA-N 0 0 405.248 2.585 20 10 HFCDRN CCS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001129660851 1078621606 /nfs/dbraw/zinc/62/16/06/1078621606.db2.gz ZOSRASLQVMYDEA-UHFFFAOYSA-N 0 0 424.469 2.525 20 10 HFCDRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001129661610 1078623134 /nfs/dbraw/zinc/62/31/34/1078623134.db2.gz QBZUMOSCRFOVOP-INIZCTEOSA-N 0 0 423.504 2.702 20 10 HFCDRN COCCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000804610418 1078656603 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1078930049 /nfs/dbraw/zinc/93/00/49/1078930049.db2.gz KCJHNBHYADQHOZ-GFCCVEGCSA-N 0 0 402.322 2.999 20 10 HFCDRN Cn1cnc2c1nccc2C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000805176437 1078962472 /nfs/dbraw/zinc/96/24/72/1078962472.db2.gz IMWOPBQEHNCDIS-UHFFFAOYSA-N 0 0 401.417 2.969 20 10 HFCDRN C[C@H](OCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1nccn1C ZINC000805186337 1078966736 /nfs/dbraw/zinc/96/67/36/1078966736.db2.gz GNLHZSGPWORIKU-LSDHHAIUSA-N 0 0 408.449 2.884 20 10 HFCDRN CCc1nc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000805194151 1078968982 /nfs/dbraw/zinc/96/89/82/1078968982.db2.gz IBMVRIAMLPNVLK-UHFFFAOYSA-N 0 0 400.548 2.971 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000805216820 1078990921 /nfs/dbraw/zinc/99/09/21/1078990921.db2.gz OGRFGTYGKVTWCZ-HNNXBMFYSA-N 0 0 410.312 2.888 20 10 HFCDRN CS(=O)(=O)c1ccc(CNC(=O)NCc2cc(Br)ccc2O)s1 ZINC000805327474 1079020418 /nfs/dbraw/zinc/02/04/18/1079020418.db2.gz HHTLAJYFLALHPJ-UHFFFAOYSA-N 0 0 419.322 2.619 20 10 HFCDRN COc1cccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)C2)c1 ZINC000805477395 1079092248 /nfs/dbraw/zinc/09/22/48/1079092248.db2.gz JDJRTMQVMOKZMO-PKOBYXMFSA-N 0 0 424.545 2.724 20 10 HFCDRN Cn1cnc(/C=C/C(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)c1 ZINC001130211078 1079088583 /nfs/dbraw/zinc/08/85/83/1079088583.db2.gz UOSXYNFNURJLCK-GQCTYLIASA-N 0 0 415.295 2.911 20 10 HFCDRN COC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F ZINC000747248497 1079145721 /nfs/dbraw/zinc/14/57/21/1079145721.db2.gz PTALXOMKXKPAGE-UHFFFAOYSA-N 0 0 424.519 2.644 20 10 HFCDRN O=C(NCCCc1cccc(F)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000805232427 1079177920 /nfs/dbraw/zinc/17/79/20/1079177920.db2.gz VCKUGDARHWFDKN-FQEVSTJZSA-N 0 0 414.477 2.788 20 10 HFCDRN COc1ncc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cncc(Br)c2)cn1 ZINC001130367032 1079262874 /nfs/dbraw/zinc/26/28/74/1079262874.db2.gz YAFGGEGMUJHZGG-NSCUHMNNSA-N 0 0 415.251 2.612 20 10 HFCDRN COc1ccc(N2CCN(C(=O)NCc3ccc(C[S@@](C)=O)cc3)CC2)cc1F ZINC000805869427 1079312085 /nfs/dbraw/zinc/31/20/85/1079312085.db2.gz SHDYXRNMHUWILA-GDLZYMKVSA-N 0 0 419.522 2.745 20 10 HFCDRN O=C(NC[C@H]1CCc2ccccc21)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000805953023 1079344275 /nfs/dbraw/zinc/34/42/75/1079344275.db2.gz ZWFZBWWMEAVCEF-UYAOXDASSA-N 0 0 408.498 2.746 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000805953734 1079371196 /nfs/dbraw/zinc/37/11/96/1079371196.db2.gz VLODFANOMZVMNM-LJQANCHMSA-N 0 0 407.514 2.580 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805244356 1079383070 /nfs/dbraw/zinc/38/30/70/1079383070.db2.gz YUGXMJBTBVQCGA-UHFFFAOYSA-N 0 0 414.300 2.821 20 10 HFCDRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000747297931 1079411927 /nfs/dbraw/zinc/41/19/27/1079411927.db2.gz KNGBUPMIRFQNEQ-MRXNPFEDSA-N 0 0 415.465 2.593 20 10 HFCDRN O=C(N[C@@H]1CSc2ccccc21)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000806151234 1079468085 /nfs/dbraw/zinc/46/80/85/1079468085.db2.gz JTDCEQZIEIZAQP-FUHWJXTLSA-N 0 0 412.511 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ZINC000787321164 1076764267 /nfs/dbraw/zinc/76/42/67/1076764267.db2.gz COEDFZSPWOYMBL-UHFFFAOYSA-N 0 0 421.457 2.675 20 10 HFCDRN Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328974 1076771204 /nfs/dbraw/zinc/77/12/04/1076771204.db2.gz AHKFARWYGIEMSI-TXBYWVTISA-N 0 0 423.513 2.634 20 10 HFCDRN CS(=O)(=O)c1cccnc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000787387555 1076804434 /nfs/dbraw/zinc/80/44/34/1076804434.db2.gz MQKGAIWFPUXCIG-UHFFFAOYSA-N 0 0 415.471 2.696 20 10 HFCDRN COc1cc(C)cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000787457612 1076818699 /nfs/dbraw/zinc/81/86/99/1076818699.db2.gz HPNPFDFJQUTUQG-UHFFFAOYSA-N 0 0 411.502 2.746 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000787629369 1076883168 /nfs/dbraw/zinc/88/31/68/1076883168.db2.gz ZGPGFISLTWMDLL-UHFFFAOYSA-N 0 0 422.573 2.666 20 10 HFCDRN COC(=O)c1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc(C(=O)OC)c1 ZINC000746705860 1076907859 /nfs/dbraw/zinc/90/78/59/1076907859.db2.gz IYSFOQMPRKOXCW-UHFFFAOYSA-N 0 0 411.458 2.964 20 10 HFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000787801845 1076949740 /nfs/dbraw/zinc/94/97/40/1076949740.db2.gz JBUNVGSWCXGBKI-ZETCQYMHSA-N 0 0 409.411 2.730 20 10 HFCDRN Cc1cc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000787843828 1076961550 /nfs/dbraw/zinc/96/15/50/1076961550.db2.gz AUWMMKMWBLWDIX-OAHLLOKOSA-N 0 0 401.532 2.695 20 10 HFCDRN COc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000787868768 1076966926 /nfs/dbraw/zinc/96/69/26/1076966926.db2.gz BJUSKRKXECBDGQ-QGZVFWFLSA-N 0 0 409.530 2.831 20 10 HFCDRN Cc1ccc(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000787917006 1076995315 /nfs/dbraw/zinc/99/53/15/1076995315.db2.gz GCWGBHNTQQWQED-HNNXBMFYSA-N 0 0 421.444 2.633 20 10 HFCDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000787987632 1077033410 /nfs/dbraw/zinc/03/34/10/1077033410.db2.gz LOYXNWDSWFALNZ-UTKZUKDTSA-N 0 0 401.551 2.955 20 10 HFCDRN O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ncsc2c1 ZINC000772714611 1077068467 /nfs/dbraw/zinc/06/84/67/1077068467.db2.gz SRVGTTNWMHLAGR-UHFFFAOYSA-N 0 0 417.556 2.984 20 10 HFCDRN CC(=O)N1CC(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C1 ZINC000788151519 1077069437 /nfs/dbraw/zinc/06/94/37/1077069437.db2.gz LEUFHEYRSXSLQQ-UHFFFAOYSA-N 0 0 420.412 2.900 20 10 HFCDRN COCCOc1cc(OC)ccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000788227980 1077083373 /nfs/dbraw/zinc/08/33/73/1077083373.db2.gz PJKZWUOFBOKYMA-UHFFFAOYSA-N 0 0 418.465 2.831 20 10 HFCDRN Cn1ccc2cccc(NC(=O)C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)c21 ZINC000788325819 1077101244 /nfs/dbraw/zinc/10/12/44/1077101244.db2.gz BMJGCFFRZHDRHT-UHFFFAOYSA-N 0 0 424.476 2.533 20 10 HFCDRN CCCN(Cc1ccc(C)cc1)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788333990 1077105462 /nfs/dbraw/zinc/10/54/62/1077105462.db2.gz UQYMAPNARLGFPV-UHFFFAOYSA-N 0 0 409.530 2.887 20 10 HFCDRN COC(=O)c1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C)cc1C ZINC000788339323 1077109149 /nfs/dbraw/zinc/10/91/49/1077109149.db2.gz QQLCWFJIERYAOI-UHFFFAOYSA-N 0 0 410.470 2.929 20 10 HFCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[C@H]1c1ccccc1 ZINC000788309669 1077114909 /nfs/dbraw/zinc/11/49/09/1077114909.db2.gz FYEVZSPYVINKSH-WMZHIEFXSA-N 0 0 421.541 2.792 20 10 HFCDRN Cc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000788311043 1077115526 /nfs/dbraw/zinc/11/55/26/1077115526.db2.gz PIKWFXKVCNKXGW-QFIPXVFZSA-N 0 0 407.514 2.715 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000788311129 1077116248 /nfs/dbraw/zinc/11/62/48/1077116248.db2.gz QSPPDFQCVHAAEZ-UHFFFAOYSA-N 0 0 407.514 2.546 20 10 HFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc2ncsc2c1 ZINC000788312550 1077116400 /nfs/dbraw/zinc/11/64/00/1077116400.db2.gz JAOYXKFEMMKUKL-OAHLLOKOSA-N 0 0 424.526 2.627 20 10 HFCDRN CCCN1CCCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1=O ZINC000788313855 1077116785 /nfs/dbraw/zinc/11/67/85/1077116785.db2.gz QKTNENBULAAWRZ-IRXDYDNUSA-N 0 0 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COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCSC(C)(C)CC3)CC2)cc1 ZINC000790141153 1077955351 /nfs/dbraw/zinc/95/53/51/1077955351.db2.gz RCYNQXQRTGXJRF-HJWRWDBZSA-N 0 0 417.575 2.644 20 10 HFCDRN CC[C@]1(NC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCOC1 ZINC000790203404 1077969107 /nfs/dbraw/zinc/96/91/07/1077969107.db2.gz DQIHRRWZZYAIHA-SFHVURJKSA-N 0 0 401.429 2.910 20 10 HFCDRN C[C@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)Cn1cccn1 ZINC000790226414 1077980508 /nfs/dbraw/zinc/98/05/08/1077980508.db2.gz AMOMUXSWISCLSH-GOSISDBHSA-N 0 0 423.517 2.523 20 10 HFCDRN CN(C)c1ccc(CN2CCN(CC(=O)N3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000792778361 1077999179 /nfs/dbraw/zinc/99/91/79/1077999179.db2.gz OHWIFMWTQFNSAU-UHFFFAOYSA-N 0 0 412.500 2.902 20 10 HFCDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1F ZINC000790309014 1077999983 /nfs/dbraw/zinc/99/99/83/1077999983.db2.gz IVHAFQAIUHSABH-HNNXBMFYSA-N 0 0 414.437 2.674 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)cc2F)C[C@@H](C)O1 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Cc1nc(CS(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cs1 ZINC000790013091 1077913160 /nfs/dbraw/zinc/91/31/60/1077913160.db2.gz NZJHYUVOCFEJLN-BETUJISGSA-N 0 0 413.540 2.824 20 10 HFCDRN COC(=O)[C@H](CSCC(=O)c1cc(C)n(-c2ccccc2C)c1C)NC(C)=O ZINC000790016713 1077914335 /nfs/dbraw/zinc/91/43/35/1077914335.db2.gz PWAHQGFBUZDUKJ-SFHVURJKSA-N 0 0 402.516 2.996 20 10 HFCDRN CN(c1ccccc1)S(=O)(=O)c1cccnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170316759 1077941526 /nfs/dbraw/zinc/94/15/26/1077941526.db2.gz NFGCWMTZPYZNPN-UHFFFAOYSA-N 0 0 413.455 2.613 20 10 HFCDRN Cn1cc([C@@H]2CSCCN2C(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000790198009 1077968343 /nfs/dbraw/zinc/96/83/43/1077968343.db2.gz OAFNTYJMYXTCEL-IBGZPJMESA-N 0 0 417.604 2.973 20 10 HFCDRN C[C@@](O)(CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC000790239059 1077974319 /nfs/dbraw/zinc/97/43/19/1077974319.db2.gz YBUPBNDADDACCE-FDDCHVKYSA-N 0 0 416.566 2.519 20 10 HFCDRN C[C@@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000790248855 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O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCc1ccccc1OCC1CC1 ZINC000806352841 1079624905 /nfs/dbraw/zinc/62/49/05/1079624905.db2.gz CJCIZEMMGWVHJU-UHFFFAOYSA-N 0 0 405.498 2.784 20 10 HFCDRN CO[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000806442813 1079713144 /nfs/dbraw/zinc/71/31/44/1079713144.db2.gz KBVYKVWVVLOCSM-IYBDPMFKSA-N 0 0 401.429 2.861 20 10 HFCDRN COC1CCC(CCNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000806540657 1079779034 /nfs/dbraw/zinc/77/90/34/1079779034.db2.gz GAURWHHGSLCVOW-UUKMXZOPSA-N 0 0 418.534 2.611 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000806543381 1079780682 /nfs/dbraw/zinc/78/06/82/1079780682.db2.gz SZCOCUOLOKBRQH-UHFFFAOYSA-N 0 0 408.499 2.772 20 10 HFCDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000806511817 1079788409 /nfs/dbraw/zinc/78/84/09/1079788409.db2.gz KECJZNCAFKNGAQ-FQEVSTJZSA-N 0 0 418.538 2.724 20 10 HFCDRN C[C@H](NC(=O)c1[nH]cnc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000806613991 1079855403 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C[C@@H](NC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000806774893 1079994399 /nfs/dbraw/zinc/99/43/99/1079994399.db2.gz KUKAAWFBHVRRJE-MRXNPFEDSA-N 0 0 405.502 2.647 20 10 HFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001130744383 1080008834 /nfs/dbraw/zinc/00/88/34/1080008834.db2.gz AJGWZHRHBHYBBN-UHFFFAOYSA-N 0 0 409.446 2.998 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000806846589 1080030808 /nfs/dbraw/zinc/03/08/08/1080030808.db2.gz UIBZAIUIAVMJKQ-LJQANCHMSA-N 0 0 408.502 2.873 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000806822184 1080039665 /nfs/dbraw/zinc/03/96/65/1080039665.db2.gz XQQNIZRSOFYVKX-ICSRJNTNSA-N 0 0 418.538 2.640 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000806854354 1080058984 /nfs/dbraw/zinc/05/89/84/1080058984.db2.gz YXLBFHRFLAKHIE-UHFFFAOYSA-N 0 0 402.545 2.829 20 10 HFCDRN COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1C ZINC000806861610 1080063772 /nfs/dbraw/zinc/06/37/72/1080063772.db2.gz CZOCZDOJLIZSAN-UHFFFAOYSA-N 0 0 411.502 2.712 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NC[C@H]2CCCS2)cc1 ZINC000806917066 1080087433 /nfs/dbraw/zinc/08/74/33/1080087433.db2.gz GNXBMYQRYMMZEE-LJQANCHMSA-N 0 0 401.532 2.886 20 10 HFCDRN COCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000806891902 1080099399 /nfs/dbraw/zinc/09/93/99/1080099399.db2.gz VFWDRKANCGDBHY-UHFFFAOYSA-N 0 0 402.520 2.781 20 10 HFCDRN CN(C)c1ccc([C@@H](CNC(=O)c2cnn(CCF)c2)NC(=O)OC(C)(C)C)cc1 ZINC000806946401 1080155668 /nfs/dbraw/zinc/15/56/68/1080155668.db2.gz XLHMXOKWLUBOKX-GOSISDBHSA-N 0 0 419.501 2.914 20 10 HFCDRN CCOc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(c4ccc(OC)cc4)C3)CC2=O)cc1 ZINC001130826497 1080237336 /nfs/dbraw/zinc/23/73/36/1080237336.db2.gz ARCNDDLQKALPCK-QZTJIDSGSA-N 0 0 423.513 2.842 20 10 HFCDRN COc1ccc([C@H](CC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)NC(C)=O)cc1 ZINC001130826777 1080237765 /nfs/dbraw/zinc/23/77/65/1080237765.db2.gz JKHXIIKVFRLWPA-AVRDEDQJSA-N 0 0 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Cc1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CCO2)ccc1F ZINC000807289051 1080454122 /nfs/dbraw/zinc/45/41/22/1080454122.db2.gz HGZHVXGUGRBKQF-QFIPXVFZSA-N 0 0 423.488 2.727 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000807288505 1080454845 /nfs/dbraw/zinc/45/48/45/1080454845.db2.gz VUIZAQSUJWMMMD-UHFFFAOYSA-N 0 0 400.482 2.745 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000807289867 1080455298 /nfs/dbraw/zinc/45/52/98/1080455298.db2.gz LHLPMEBBWIEVHZ-NFBKMPQASA-N 0 0 419.525 2.963 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000807289869 1080455332 /nfs/dbraw/zinc/45/53/32/1080455332.db2.gz LHLPMEBBWIEVHZ-OFNKIYASSA-N 0 0 419.525 2.963 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000807289296 1080456609 /nfs/dbraw/zinc/45/66/09/1080456609.db2.gz PCZOSSZNMFUKTF-HSZRJFAPSA-N 0 0 419.525 2.887 20 10 HFCDRN CC(C)(CO)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000807290980 1080457717 /nfs/dbraw/zinc/45/77/17/1080457717.db2.gz RJJVNGZMFLDRFN-QFIPXVFZSA-N 0 0 421.541 2.598 20 10 HFCDRN COC(=O)[C@H](O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000747389153 1080468131 /nfs/dbraw/zinc/46/81/31/1080468131.db2.gz GPACVEMNJIZHRX-OAQYLSRUSA-N 0 0 413.518 2.592 20 10 HFCDRN C[C@@H](c1ccsc1)N1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807292004 1080479321 /nfs/dbraw/zinc/47/93/21/1080479321.db2.gz ROHNDTLVISCAGW-SFHVURJKSA-N 0 0 424.570 2.646 20 10 HFCDRN CN(CCOc1cccc(Cl)c1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292299 1080481888 /nfs/dbraw/zinc/48/18/88/1080481888.db2.gz VUUQAGIUTNMZBJ-UHFFFAOYSA-N 0 0 413.905 2.870 20 10 HFCDRN Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807309433 1080503067 /nfs/dbraw/zinc/50/30/67/1080503067.db2.gz MHMIGYVEUQOTMY-AWEZNQCLSA-N 0 0 411.458 2.866 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)N1CCCc2ccc(F)cc21 ZINC000807385254 1080579971 /nfs/dbraw/zinc/57/99/71/1080579971.db2.gz GKFRRXZYFPMOPZ-UHFFFAOYSA-N 0 0 407.239 2.889 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(OCCF)c1 ZINC000807385169 1080580843 /nfs/dbraw/zinc/58/08/43/1080580843.db2.gz CRRVRVVBLIXUPC-UHFFFAOYSA-N 0 0 411.227 2.758 20 10 HFCDRN CO[C@H]1Cc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc2C1 ZINC000807386587 1080582266 /nfs/dbraw/zinc/58/22/66/1080582266.db2.gz BEGOTESCWBZCNM-INIZCTEOSA-N 0 0 419.275 2.523 20 10 HFCDRN C[C@](O)(CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccccc1 ZINC000807507484 1080709676 /nfs/dbraw/zinc/70/96/76/1080709676.db2.gz POFLBXLETQAHIT-DEOSSOPVSA-N 0 0 422.481 2.928 20 10 HFCDRN COC[C@]1(CNC(=O)NCc2cccc(OC)c2O)CCCN1C(=O)OC(C)(C)C ZINC000807550736 1080767200 /nfs/dbraw/zinc/76/72/00/1080767200.db2.gz VSDWQIYLEXYKTF-OAQYLSRUSA-N 0 0 423.510 2.616 20 10 HFCDRN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807528094 1080780280 /nfs/dbraw/zinc/78/02/80/1080780280.db2.gz BADYGCHSZOGIRL-QGZVFWFLSA-N 0 0 421.519 2.511 20 10 HFCDRN C[C@@H](NC(=O)N1C[C@@H](C)OC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000790500441 1078046498 /nfs/dbraw/zinc/04/64/98/1078046498.db2.gz FTXXCFZQAOHPOB-QZTJIDSGSA-N 0 0 403.523 2.564 20 10 HFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1cccc(N2CCC2=O)c1 ZINC000790581351 1078060733 /nfs/dbraw/zinc/06/07/33/1078060733.db2.gz SHKCWKRQEOKIBH-UHFFFAOYSA-N 0 0 408.502 2.954 20 10 HFCDRN COc1ccc(CNC(=O)NC[C@H]2CSCCN2Cc2ccccc2)c(O)c1 ZINC000793081171 1078063795 /nfs/dbraw/zinc/06/37/95/1078063795.db2.gz CWWZUSWNHCXVLB-SFHVURJKSA-N 0 0 401.532 2.818 20 10 HFCDRN C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc(O)c4O)CC3)cc2NC1=O ZINC000790630541 1078068519 /nfs/dbraw/zinc/06/85/19/1078068519.db2.gz SILRVVFQHTUGDK-GFCCVEGCSA-N 0 0 410.426 2.552 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1coc2cc(F)ccc12 ZINC000793124418 1078071506 /nfs/dbraw/zinc/07/15/06/1078071506.db2.gz OOWQMJIVCPWBSD-UHFFFAOYSA-N 0 0 402.447 2.737 20 10 HFCDRN CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc(O)c3O)nc2)CC1 ZINC000790627720 1078081957 /nfs/dbraw/zinc/08/19/57/1078081957.db2.gz WPTCFGHCVFCWDH-UHFFFAOYSA-N 0 0 414.462 2.802 20 10 HFCDRN O=C(NC1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1)C1CC1 ZINC000793104968 1078079443 /nfs/dbraw/zinc/07/94/43/1078079443.db2.gz HVJIULSWYFKOSY-UHFFFAOYSA-N 0 0 401.576 2.941 20 10 HFCDRN CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000793159376 1078084897 /nfs/dbraw/zinc/08/48/97/1078084897.db2.gz NOGBWLVFGOBCKH-OXQOHEQNSA-N 0 0 415.513 2.620 20 10 HFCDRN O=C(NCCC1(O)CCC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000790672888 1078086495 /nfs/dbraw/zinc/08/64/95/1078086495.db2.gz MXWPKZSVEOCYBT-UHFFFAOYSA-N 0 0 401.429 2.646 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(O)c1 ZINC000793148399 1078090572 /nfs/dbraw/zinc/09/05/72/1078090572.db2.gz MKITVTLAVOWRKG-MRXNPFEDSA-N 0 0 411.437 2.613 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC000793312238 1078133295 /nfs/dbraw/zinc/13/32/95/1078133295.db2.gz MQMUYAPKVPXLKZ-AWEZNQCLSA-N 0 0 412.328 2.945 20 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1078289034 /nfs/dbraw/zinc/28/90/34/1078289034.db2.gz HHZXZHWNEYQEHA-IRLDBZIGSA-N 0 0 409.530 2.961 20 10 HFCDRN COCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793799991 1078302284 /nfs/dbraw/zinc/30/22/84/1078302284.db2.gz OKOIRORSZAZTFZ-OAHLLOKOSA-N 0 0 422.522 2.809 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCCO3)cc2Cl)C1 ZINC000793796158 1078300465 /nfs/dbraw/zinc/30/04/65/1078300465.db2.gz URZUDHKDIMBDMG-RDJZCZTQSA-N 0 0 407.942 2.878 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC000793780475 1078309887 /nfs/dbraw/zinc/30/98/87/1078309887.db2.gz DQHINVMMNVTZOC-PMACEKPBSA-N 0 0 417.456 2.684 20 10 HFCDRN O=C(NC[C@H]1CC=CCC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793821468 1078317245 /nfs/dbraw/zinc/31/72/45/1078317245.db2.gz WTMABXJRPIWRCN-HOTGVXAUSA-N 0 0 407.461 2.846 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccccc1OCC(F)(F)F ZINC000793811567 1078314289 /nfs/dbraw/zinc/31/42/89/1078314289.db2.gz WSQIVRVAXVJUJJ-UHFFFAOYSA-N 0 0 423.435 2.935 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000793863216 1078326820 /nfs/dbraw/zinc/32/68/20/1078326820.db2.gz DOYLYBACMGWCNE-UHFFFAOYSA-N 0 0 408.546 2.622 20 10 HFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N(CCO)CC(F)F ZINC000794055811 1078366715 /nfs/dbraw/zinc/36/67/15/1078366715.db2.gz DXGMEDCETMZYPZ-XFXZXTDPSA-N 0 0 420.528 2.816 20 10 HFCDRN Cc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nc(N2CCCC2)n1 ZINC000794125914 1078375110 /nfs/dbraw/zinc/37/51/10/1078375110.db2.gz HGKSAJCVKNXDKO-UHFFFAOYSA-N 0 0 415.881 2.709 20 10 HFCDRN C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000794241654 1078390928 /nfs/dbraw/zinc/39/09/28/1078390928.db2.gz KVMNWHBBHSCTLE-MAUKXSAKSA-N 0 0 409.486 2.537 20 10 HFCDRN COc1ccc(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)c(O)c1 ZINC000794377951 1078430802 /nfs/dbraw/zinc/43/08/02/1078430802.db2.gz BCDKZNDJSKXSEF-UHFFFAOYSA-N 0 0 422.279 2.991 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)c(O)c1 ZINC000794381908 1078431992 /nfs/dbraw/zinc/43/19/92/1078431992.db2.gz RPHLDOPEKSTMMW-UHFFFAOYSA-N 0 0 417.421 2.522 20 10 HFCDRN COc1ccc(CNC(=O)c2ccnc(Cl)c2I)c(O)c1 ZINC000794382163 1078432026 /nfs/dbraw/zinc/43/20/26/1078432026.db2.gz ZEZYBPWPXLJESD-UHFFFAOYSA-N 0 0 418.618 2.984 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1N1CCCC1 ZINC001129549232 1078540620 /nfs/dbraw/zinc/54/06/20/1078540620.db2.gz GAVBZZZSGWUCEA-UHFFFAOYSA-N 0 0 402.445 2.727 20 10 HFCDRN COC(=O)Nc1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001129549714 1078541064 /nfs/dbraw/zinc/54/10/64/1078541064.db2.gz SFWXEPNOSKYULJ-UHFFFAOYSA-N 0 0 405.401 2.910 20 10 HFCDRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549693 1078541069 /nfs/dbraw/zinc/54/10/69/1078541069.db2.gz RQUFYANQURAEMP-GOSISDBHSA-N 0 0 409.477 2.599 20 10 HFCDRN Cc1cn(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1C(F)(F)F ZINC001129549800 1078541562 /nfs/dbraw/zinc/54/15/62/1078541562.db2.gz WIVOWYOUPIGZJQ-UHFFFAOYSA-N 0 0 418.366 2.642 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1COc2ccc(F)cc2C1 ZINC001129549802 1078541575 /nfs/dbraw/zinc/54/15/75/1078541575.db2.gz WJRVMZVDFRRHMO-OAHLLOKOSA-N 0 0 406.404 2.808 20 10 HFCDRN COc1ccccc1N1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC1=O ZINC000804733340 1078591724 /nfs/dbraw/zinc/59/17/24/1078591724.db2.gz OXOTYZVSZZSDRJ-ZDUSSCGKSA-N 0 0 419.275 2.833 20 10 HFCDRN O=C(CN1C(=O)CSc2ccccc21)NCc1cc(Br)ccc1O ZINC000804733433 1078591769 /nfs/dbraw/zinc/59/17/69/1078591769.db2.gz HQCUDAWSOQLXSE-UHFFFAOYSA-N 0 0 407.289 2.910 20 10 HFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)c2C)cc1 ZINC000804557237 1078592556 /nfs/dbraw/zinc/59/25/56/1078592556.db2.gz BQQMWSPPAJLVMA-GAJHUEQPSA-N 0 0 424.501 2.696 20 10 HFCDRN O=C(CSc1nnnn1C1CCCC1)NCc1cc(Br)ccc1O ZINC000804734345 1078592569 /nfs/dbraw/zinc/59/25/69/1078592569.db2.gz BJCIUBGIYUULAB-UHFFFAOYSA-N 0 0 412.313 2.665 20 10 HFCDRN CCOc1ccccc1C(=O)NCC(=O)NCc1cc(Br)ccc1O ZINC000804734156 1078592606 /nfs/dbraw/zinc/59/26/06/1078592606.db2.gz XVRKIEKDOGMUEP-UHFFFAOYSA-N 0 0 407.264 2.600 20 10 HFCDRN Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1NS(C)(=O)=O ZINC000804734461 1078592614 /nfs/dbraw/zinc/59/26/14/1078592614.db2.gz MAQICNRSTKKSAX-UHFFFAOYSA-N 0 0 413.293 2.765 20 10 HFCDRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804733805 1078593099 /nfs/dbraw/zinc/59/30/99/1078593099.db2.gz ZPFWZFQDMNTJNT-QGZVFWFLSA-N 0 0 403.276 2.744 20 10 HFCDRN Cc1cc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000804559543 1078593696 /nfs/dbraw/zinc/59/36/96/1078593696.db2.gz ZCXYHWQQVFKJJL-VGSWGCGISA-N 0 0 412.465 2.826 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000804736223 1078594350 /nfs/dbraw/zinc/59/43/50/1078594350.db2.gz NVWNKNCAQZWRRM-UHFFFAOYSA-N 0 0 418.222 2.770 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnc(-c2ccccn2)n1 ZINC001129659933 1078620476 /nfs/dbraw/zinc/62/04/76/1078620476.db2.gz AYVJHRHFGPFJHW-UHFFFAOYSA-N 0 0 411.412 2.583 20 10 HFCDRN COC(=O)/C=C\c1ccc(N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000804792003 1078624576 /nfs/dbraw/zinc/62/45/76/1078624576.db2.gz RLUJTOJMPRXOGK-DQOPKJQZSA-N 0 0 402.325 2.713 20 10 HFCDRN Cc1cccc2[nH]cc(CCNC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c21 ZINC000804623880 1078675240 /nfs/dbraw/zinc/67/52/40/1078675240.db2.gz YUPVTPBJLQKJCC-UHFFFAOYSA-N 0 0 402.498 2.828 20 10 HFCDRN CC[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nc(C)cs1 ZINC000804880572 1078704704 /nfs/dbraw/zinc/70/47/04/1078704704.db2.gz WRNIURBIOUQFNF-IRXDYDNUSA-N 0 0 417.531 2.932 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCOc2ccccc2F)cc1F ZINC000804851809 1078719845 /nfs/dbraw/zinc/71/98/45/1078719845.db2.gz POOSZKCOTFKKQH-UHFFFAOYSA-N 0 0 419.472 2.965 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)Cc2c(C)noc2C)cc1F ZINC000804852138 1078722475 /nfs/dbraw/zinc/72/24/75/1078722475.db2.gz AHJQHUSTUFNSFI-ZDUSSCGKSA-N 0 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CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1(O)CCOCC1 ZINC000807449338 1080628706 /nfs/dbraw/zinc/62/87/06/1080628706.db2.gz OSWJONFNHVDFGA-UHFFFAOYSA-N 0 0 401.301 2.618 20 10 HFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807460616 1080640353 /nfs/dbraw/zinc/64/03/53/1080640353.db2.gz VKYCZIJOACKYCA-QGZVFWFLSA-N 0 0 400.523 2.750 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(OC(F)F)cn2)cc1 ZINC000807531075 1080743441 /nfs/dbraw/zinc/74/34/41/1080743441.db2.gz LPGOCNLSYYPCFJ-UHFFFAOYSA-N 0 0 420.460 2.804 20 10 HFCDRN CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2F)CC1 ZINC000780569681 939133879 /nfs/dbraw/zinc/13/38/79/939133879.db2.gz VZZBYENHIRJFSL-FQEVSTJZSA-N 0 0 420.529 2.800 20 10 HFCDRN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000790466493 1078045119 /nfs/dbraw/zinc/04/51/19/1078045119.db2.gz QWIIJDPROAESSQ-UHFFFAOYSA-N 0 0 418.515 2.542 20 10 HFCDRN Cc1c(CN(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cnn1C ZINC000790502110 1078046521 /nfs/dbraw/zinc/04/65/21/1078046521.db2.gz SIAQWZLADOWBPI-GJZGRUSLSA-N 0 0 403.502 2.823 20 10 HFCDRN Cc1c(CN(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cnn1C ZINC000790502107 1078046528 /nfs/dbraw/zinc/04/65/28/1078046528.db2.gz SIAQWZLADOWBPI-GASCZTMLSA-N 0 0 403.502 2.823 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CO[C@@H]3CCCc4c[nH]nc43)cc2F)C[C@@H](C)O1 ZINC000790509120 1078047728 /nfs/dbraw/zinc/04/77/28/1078047728.db2.gz KLSBEJNIONZGAJ-STXHMFSFSA-N 0 0 416.497 2.873 20 10 HFCDRN COc1ccc(CNC(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)c(O)c1 ZINC000793075578 1078063213 /nfs/dbraw/zinc/06/32/13/1078063213.db2.gz DTKTTZTXIKRKJV-UHFFFAOYSA-N 0 0 407.854 2.891 20 10 HFCDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])c2)C1=O ZINC000790611617 1078075916 /nfs/dbraw/zinc/07/59/16/1078075916.db2.gz SXZZMHPBCNUBHW-OAQYLSRUSA-N 0 0 410.430 2.815 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1ccnc(OC(F)F)c1 ZINC000790671022 1078085624 /nfs/dbraw/zinc/08/56/24/1078085624.db2.gz FQKFAMVFHIDFLD-UHFFFAOYSA-N 0 0 410.396 2.658 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793164447 1078085934 /nfs/dbraw/zinc/08/59/34/1078085934.db2.gz WNYSOHSNPABGAK-SFHVURJKSA-N 0 0 403.523 2.785 20 10 HFCDRN CN(C)c1ccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000793186575 1078096445 /nfs/dbraw/zinc/09/64/45/1078096445.db2.gz VKBYJXFRBYXHCK-MRXNPFEDSA-N 0 0 405.486 2.771 20 10 HFCDRN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(O)c1O ZINC000790896520 1078175573 /nfs/dbraw/zinc/17/55/73/1078175573.db2.gz PXFRJEYCOVKQQW-UHFFFAOYSA-N 0 0 416.430 2.968 20 10 HFCDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCc3ccccc3O)c2)C1=O ZINC000790897503 1078176123 /nfs/dbraw/zinc/17/61/23/1078176123.db2.gz YHDDUDOWASTXCX-JOCHJYFZSA-N 0 0 408.458 2.617 20 10 HFCDRN CN(C)c1ccc([C@H](CNC(=O)CCc2cncn2C)NC(=O)OC(C)(C)C)cc1 ZINC000793569803 1078212447 /nfs/dbraw/zinc/21/24/47/1078212447.db2.gz DBTZKJHIRGKIBZ-IBGZPJMESA-N 0 0 415.538 2.801 20 10 HFCDRN COc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000793582370 1078214236 /nfs/dbraw/zinc/21/42/36/1078214236.db2.gz JMRNLIFAYYLBPU-UHFFFAOYSA-N 0 0 403.410 2.634 20 10 HFCDRN C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@@H](C)C1 ZINC000793591909 1078217716 /nfs/dbraw/zinc/21/77/16/1078217716.db2.gz SZLYYVPLKFQHJY-WDEREUQCSA-N 0 0 422.161 2.804 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(C(=O)OCC)CC1 ZINC000793675417 1078249800 /nfs/dbraw/zinc/24/98/00/1078249800.db2.gz ONXABBJLRGFKOC-UHFFFAOYSA-N 0 0 404.507 2.759 20 10 HFCDRN CC(C)(C)OC(=O)NCCc1nc(C(=O)NCCc2ccc(O)c(O)c2)cs1 ZINC000793679012 1078251590 /nfs/dbraw/zinc/25/15/90/1078251590.db2.gz BODWOKLAXMBIAU-UHFFFAOYSA-N 0 0 407.492 2.594 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@H](C)Cc3ccccc3C)CC2)cc1 ZINC000793682670 1078253596 /nfs/dbraw/zinc/25/35/96/1078253596.db2.gz WOUSIYNYKRBLNE-LJQANCHMSA-N 0 0 409.530 2.790 20 10 HFCDRN O=C(NC1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1)C1CC1 ZINC000793726332 1078267326 /nfs/dbraw/zinc/26/73/26/1078267326.db2.gz GHMQZAVFNADUGH-LYBXBRPPSA-N 0 0 400.519 2.985 20 10 HFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000793758233 1078279304 /nfs/dbraw/zinc/27/93/04/1078279304.db2.gz VUJUYPNVIFZWDW-MRXNPFEDSA-N 0 0 411.550 2.991 20 10 HFCDRN Cc1ccc(CCNC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000793759324 1078279324 /nfs/dbraw/zinc/27/93/24/1078279324.db2.gz CRNSLCOVPVVUQK-LJQANCHMSA-N 0 0 409.530 2.676 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000793782549 1078292691 /nfs/dbraw/zinc/29/26/91/1078292691.db2.gz JTCGWYLBIFGIKH-SFTDATJTSA-N 0 0 413.493 2.853 20 10 HFCDRN COc1cc(Br)c(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC ZINC000747148285 1078301749 /nfs/dbraw/zinc/30/17/49/1078301749.db2.gz UOPTXAMNPHABLK-RIYZIHGNSA-N 0 0 413.293 2.769 20 10 HFCDRN O=C(NC[C@H]1CC=CCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793821470 1078317269 /nfs/dbraw/zinc/31/72/69/1078317269.db2.gz WTMABXJRPIWRCN-JKSUJKDBSA-N 0 0 407.461 2.846 20 10 HFCDRN COc1cc(N2CCN(C(=O)c3ccc4nc(C)n(C)c4c3)CC2)cc(OC)c1OC ZINC000793815494 1078315882 /nfs/dbraw/zinc/31/58/82/1078315882.db2.gz NQPVNGBSUHIZNW-UHFFFAOYSA-N 0 0 424.501 2.870 20 10 HFCDRN CNC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)CC1 ZINC000747152385 1078325421 /nfs/dbraw/zinc/32/54/21/1078325421.db2.gz FFHGSKLJBUALJX-UHFFFAOYSA-N 0 0 419.323 2.954 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)ccc3-n3cccn3)cc2)CC1 ZINC000793924054 1078339393 /nfs/dbraw/zinc/33/93/93/1078339393.db2.gz IRCCLVVJZYKEKH-UHFFFAOYSA-N 0 0 421.476 2.610 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)COCc1ccccc1 ZINC000793954635 1078346556 /nfs/dbraw/zinc/34/65/56/1078346556.db2.gz IQFAOYDZUPDDPD-SFHVURJKSA-N 0 0 409.530 2.654 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cn4cccn4)on3)cc2F)C[C@@H](C)O1 ZINC000794238758 1078390274 /nfs/dbraw/zinc/39/02/74/1078390274.db2.gz LZOGKNRNWRSZQY-HUUCEWRRSA-N 0 0 413.453 2.602 20 10 HFCDRN Cc1cc(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)c(C)n1-c1ccccn1 ZINC000794297886 1078403989 /nfs/dbraw/zinc/40/39/89/1078403989.db2.gz XGGWQIUOEFCFEI-UHFFFAOYSA-N 0 0 407.405 2.937 20 10 HFCDRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000794378115 1078430748 /nfs/dbraw/zinc/43/07/48/1078430748.db2.gz XNVVSVYVKODRHH-UHFFFAOYSA-N 0 0 420.531 2.680 20 10 HFCDRN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(O)c1 ZINC000794376174 1078430783 /nfs/dbraw/zinc/43/07/83/1078430783.db2.gz DDEGLJXPPUQQFD-UHFFFAOYSA-N 0 0 418.515 2.751 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)c1 ZINC000794381015 1078431551 /nfs/dbraw/zinc/43/15/51/1078431551.db2.gz HYKJWKNLOYVXLI-UTKZUKDTSA-N 0 0 416.474 2.747 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)c(O)c1 ZINC000794380432 1078431966 /nfs/dbraw/zinc/43/19/66/1078431966.db2.gz ZKQXTUQCHQMACY-SECBINFHSA-N 0 0 413.293 2.660 20 10 HFCDRN CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)C[C@H](C)[S@]1=O ZINC000804436830 1078481046 /nfs/dbraw/zinc/48/10/46/1078481046.db2.gz CQNUHEIYMSMPJX-LBVFDXDZSA-N 0 0 408.589 2.773 20 10 HFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)c1 ZINC000804680464 1078517077 /nfs/dbraw/zinc/51/70/77/1078517077.db2.gz NULKVCGBULSICC-UHFFFAOYSA-N 0 0 404.822 2.939 20 10 HFCDRN CC(=O)NC[C@H](CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)CC(C)C ZINC001129549043 1078540299 /nfs/dbraw/zinc/54/02/99/1078540299.db2.gz BLCGNUMGWXNQMI-INIZCTEOSA-N 0 0 411.493 2.606 20 10 HFCDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129549918 1078541715 /nfs/dbraw/zinc/54/17/15/1078541715.db2.gz YTYDYBQFEBRZJW-UHFFFAOYSA-N 0 0 407.373 2.648 20 10 HFCDRN COc1cccc2c1CC[C@H]2NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000804529282 1078566814 /nfs/dbraw/zinc/56/68/14/1078566814.db2.gz VYKUZSVBBPQMTH-FXAWDEMLSA-N 0 0 424.497 2.712 20 10 HFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cc2)C1 ZINC000747209577 1078572177 /nfs/dbraw/zinc/57/21/77/1078572177.db2.gz KXESXNQQCGRUOB-MRXNPFEDSA-N 0 0 421.526 2.837 20 10 HFCDRN Cc1cc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000804554786 1078584427 /nfs/dbraw/zinc/58/44/27/1078584427.db2.gz BNRCDGCMVAHFIE-MBSDFSHPSA-N 0 0 408.502 2.995 20 10 HFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)c2C)cc1 ZINC000804557240 1078592567 /nfs/dbraw/zinc/59/25/67/1078592567.db2.gz BQQMWSPPAJLVMA-SBUREZEXSA-N 0 0 424.501 2.696 20 10 HFCDRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804733804 1078592994 /nfs/dbraw/zinc/59/29/94/1078592994.db2.gz ZPFWZFQDMNTJNT-KRWDZBQOSA-N 0 0 403.276 2.744 20 10 HFCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000804736253 1078594375 /nfs/dbraw/zinc/59/43/75/1078594375.db2.gz PUQYMPCRHHKDNM-LLVKDONJSA-N 0 0 412.305 2.978 20 10 HFCDRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804735939 1078594390 /nfs/dbraw/zinc/59/43/90/1078594390.db2.gz LUTUKLNSAGRDNI-UHFFFAOYSA-N 0 0 404.268 2.621 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1c[nH]c(=O)c(Br)c1 ZINC000804735849 1078594739 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/nfs/dbraw/zinc/10/45/37/1077104537.db2.gz AGFQMBPCILQIJN-YLJYHZDGSA-N 0 0 411.502 2.732 20 10 HFCDRN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](c2ccco2)C1 ZINC000788330126 1077104618 /nfs/dbraw/zinc/10/46/18/1077104618.db2.gz AGFQMBPCILQIJN-PXNSSMCTSA-N 0 0 411.502 2.732 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000788331727 1077104645 /nfs/dbraw/zinc/10/46/45/1077104645.db2.gz KIMLRNFDKKEARF-QHCPKHFHSA-N 0 0 421.541 2.763 20 10 HFCDRN Cc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788334679 1077105687 /nfs/dbraw/zinc/10/56/87/1077105687.db2.gz ZGUDDRGLUDVLKK-QHCPKHFHSA-N 0 0 421.541 2.682 20 10 HFCDRN Cc1ccc(C[C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000788310829 1077115521 /nfs/dbraw/zinc/11/55/21/1077115521.db2.gz NAWGXEGVXNSLKW-QHCPKHFHSA-N 0 0 421.541 2.682 20 10 HFCDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000788319107 1077118076 /nfs/dbraw/zinc/11/80/76/1077118076.db2.gz APOKBHWBAGBIRP-FPOVZHCZSA-N 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ZINC000790910899 1077246375 /nfs/dbraw/zinc/24/63/75/1077246375.db2.gz GAYDPBLKJIZNAK-UHFFFAOYSA-N 0 0 408.502 2.867 20 10 HFCDRN O=S(=O)(c1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)s1)N1CCOCC1 ZINC000790950686 1077252176 /nfs/dbraw/zinc/25/21/76/1077252176.db2.gz RRKUOGHUEZXESK-UHFFFAOYSA-N 0 0 420.915 2.557 20 10 HFCDRN CO[C@@H]1CCOc2c(NC(=O)C(=O)NCCCSc3nccs3)cccc21 ZINC000790939569 1077259712 /nfs/dbraw/zinc/25/97/12/1077259712.db2.gz FCYCFZSEMKWOBX-CQSZACIVSA-N 0 0 407.517 2.850 20 10 HFCDRN CC(C)=CCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000791002231 1077265129 /nfs/dbraw/zinc/26/51/29/1077265129.db2.gz KZMVIWVFMOLVEP-UHFFFAOYSA-N 0 0 405.432 2.797 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000791020618 1077274141 /nfs/dbraw/zinc/27/41/41/1077274141.db2.gz XKNQRVBWGPDWEP-LJQANCHMSA-N 0 0 416.568 2.817 20 10 HFCDRN CNS(=O)(=O)c1cc(NC(=O)NCc2ccc3c(c2)CCCN3C)ccc1C ZINC000746762201 1077279525 /nfs/dbraw/zinc/27/95/25/1077279525.db2.gz MWCJRVMMFIXHMX-UHFFFAOYSA-N 0 0 402.520 2.607 20 10 HFCDRN CCO[C@H]1C[C@@](O)(CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000788733608 1077285201 /nfs/dbraw/zinc/28/52/01/1077285201.db2.gz UIRBBFVBGOCACU-GHTZIAJQSA-N 0 0 407.580 2.605 20 10 HFCDRN O=C(c1cccc(NCc2cccc(Br)c2O)n1)N1CCC[C@H]1CO ZINC000788744709 1077287916 /nfs/dbraw/zinc/28/79/16/1077287916.db2.gz ZHEXMJTVHNZYSW-ZDUSSCGKSA-N 0 0 406.280 2.759 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCC(F)(F)c3ccccc3)cc2)C1 ZINC000788745879 1077288255 /nfs/dbraw/zinc/28/82/55/1077288255.db2.gz MPDAJXVJHCQKEL-KRWDZBQOSA-N 0 0 416.472 2.980 20 10 HFCDRN Cc1cc(CCNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)c(C)n1-c1ccccc1 ZINC000791124072 1077294280 /nfs/dbraw/zinc/29/42/80/1077294280.db2.gz NAHWAMIGLSUKAX-XMMPIXPASA-N 0 0 407.514 2.674 20 10 HFCDRN COc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1NS(C)(=O)=O ZINC000746978660 1077298071 /nfs/dbraw/zinc/29/80/71/1077298071.db2.gz ZLDQKMNRTYNKGH-UHFFFAOYSA-N 0 0 410.471 2.594 20 10 HFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cn1ccc2ccccc2c1=O ZINC000791139011 1077318418 /nfs/dbraw/zinc/31/84/18/1077318418.db2.gz NUWBWJXKRKXMBA-UHFFFAOYSA-N 0 0 414.845 2.562 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000746771906 1077337937 /nfs/dbraw/zinc/33/79/37/1077337937.db2.gz FEXIKEVGBXXUBG-UHFFFAOYSA-N 0 0 417.531 2.732 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)cc1 ZINC000788928320 1077339112 /nfs/dbraw/zinc/33/91/12/1077339112.db2.gz FYEKKZDTKBWIPF-UHFFFAOYSA-N 0 0 400.548 2.559 20 10 HFCDRN Cc1ccc(C)c(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 ZINC000788930411 1077340052 /nfs/dbraw/zinc/34/00/52/1077340052.db2.gz ADGRUJJBWASDBP-UHFFFAOYSA-N 0 0 420.557 2.869 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2ccc(OC)c(F)c2)cc1 ZINC000788928771 1077340103 /nfs/dbraw/zinc/34/01/03/1077340103.db2.gz NRNNLONXHQXGCU-UHFFFAOYSA-N 0 0 401.482 2.656 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000788930344 1077340332 /nfs/dbraw/zinc/34/03/32/1077340332.db2.gz REUHVAQLMVCKDA-QHCPKHFHSA-N 0 0 421.541 2.763 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000788931682 1077341159 /nfs/dbraw/zinc/34/11/59/1077341159.db2.gz JNUGNHKCCKFQQM-OAQYLSRUSA-N 0 0 420.557 2.936 20 10 HFCDRN CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCc2ccc(N3CCCC3)cc2)=NO1 ZINC000791207599 1077343912 /nfs/dbraw/zinc/34/39/12/1077343912.db2.gz BCGUBDOEMINJKS-QGZVFWFLSA-N 0 0 402.495 2.573 20 10 HFCDRN CC(C)(CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000788932386 1077344872 /nfs/dbraw/zinc/34/48/72/1077344872.db2.gz MDJVRMYVBNFNHP-UHFFFAOYSA-N 0 0 423.513 2.726 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000788913219 1077351188 /nfs/dbraw/zinc/35/11/88/1077351188.db2.gz VTONUPHYWXKIMU-NRFANRHFSA-N 0 0 411.502 2.704 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000788913264 1077351191 /nfs/dbraw/zinc/35/11/91/1077351191.db2.gz WNZSCLKPVBZQFQ-IBGZPJMESA-N 0 0 424.520 2.685 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000788913265 1077351221 /nfs/dbraw/zinc/35/12/21/1077351221.db2.gz WNZSCLKPVBZQFQ-LJQANCHMSA-N 0 0 424.520 2.685 20 10 HFCDRN Cc1cc(C(=O)NCCCn2c(=O)ccn(C)c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000791263237 1077351826 /nfs/dbraw/zinc/35/18/26/1077351826.db2.gz UNFUVSRGTOUOSK-UHFFFAOYSA-N 0 0 422.529 2.898 20 10 HFCDRN C[C@H](OC(=O)c1csc(N)n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000788965913 1077365717 /nfs/dbraw/zinc/36/57/17/1077365717.db2.gz RQBPCAYRKRWASP-JTQLQIEISA-N 0 0 421.434 2.685 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000788966415 1077365725 /nfs/dbraw/zinc/36/57/25/1077365725.db2.gz LBUMWBLYVLGJFO-UHFFFAOYSA-N 0 0 408.546 2.848 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000788932978 1077367882 /nfs/dbraw/zinc/36/78/82/1077367882.db2.gz NRRAGQBTVYNDAP-FQEVSTJZSA-N 0 0 406.530 2.688 20 10 HFCDRN COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788934123 1077368534 /nfs/dbraw/zinc/36/85/34/1077368534.db2.gz SYBIAJLIHMEKKB-HXUWFJFHSA-N 0 0 409.486 2.552 20 10 HFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000788939578 1077371121 /nfs/dbraw/zinc/37/11/21/1077371121.db2.gz VCMNDABMPKJECN-UHFFFAOYSA-N 0 0 412.559 2.750 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000788977439 1077381251 /nfs/dbraw/zinc/38/12/51/1077381251.db2.gz KUWNQRJMDMVQED-LJQANCHMSA-N 0 0 411.550 2.600 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)cc1 ZINC000788977028 1077381532 /nfs/dbraw/zinc/38/15/32/1077381532.db2.gz GXRIUDPMYZPKBU-FQEVSTJZSA-N 0 0 417.550 2.731 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000788977897 1077381717 /nfs/dbraw/zinc/38/17/17/1077381717.db2.gz SMFWYADQASHBSV-JOCHJYFZSA-N 0 0 419.529 2.903 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791310510 1077382584 /nfs/dbraw/zinc/38/25/84/1077382584.db2.gz ZOEYZVGXWCEEKT-HXUWFJFHSA-N 0 0 415.440 2.953 20 10 HFCDRN COC(=O)c1cc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2o1 ZINC000747009762 1077396935 /nfs/dbraw/zinc/39/69/35/1077396935.db2.gz HMGLYKUNYWQELU-UHFFFAOYSA-N 0 0 413.405 2.679 20 10 HFCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000772773588 1077428156 /nfs/dbraw/zinc/42/81/56/1077428156.db2.gz DEWLOWYGTYEXRJ-RUFWOKOUSA-N 0 0 412.442 2.518 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2nc(Br)cs2)cc1 ZINC000791464314 1077438200 /nfs/dbraw/zinc/43/82/00/1077438200.db2.gz ZEWCKJXZVPFRIS-UHFFFAOYSA-N 0 0 412.309 2.787 20 10 HFCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000789245489 1077470241 /nfs/dbraw/zinc/47/02/41/1077470241.db2.gz PHXCOJJDGWYHIZ-NRFANRHFSA-N 0 0 424.497 2.713 20 10 HFCDRN C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C[C@H](C2CC2)O1 ZINC000791551953 1077475320 /nfs/dbraw/zinc/47/53/20/1077475320.db2.gz DLILCUNPXJPLFQ-VBKZILBWSA-N 0 0 404.466 2.900 20 10 HFCDRN COc1cncc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 ZINC000791701352 1077532801 /nfs/dbraw/zinc/53/28/01/1077532801.db2.gz ZFBKONYMMRNKMW-UHFFFAOYSA-N 0 0 409.398 2.661 20 10 HFCDRN COc1cccc(/C=C(\C(=O)NCc2ccc(N(C)C)c(F)c2)n2nnnc2C)c1 ZINC000746803271 1077541330 /nfs/dbraw/zinc/54/13/30/1077541330.db2.gz RAYIGIPDKAWLTK-UDWIEESQSA-N 0 0 410.453 2.510 20 10 HFCDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000789370359 1077542161 /nfs/dbraw/zinc/54/21/61/1077542161.db2.gz KYPLCAFKAVQLNT-IBGZPJMESA-N 0 0 424.457 2.738 20 10 HFCDRN Cc1cc(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000789372069 1077542809 /nfs/dbraw/zinc/54/28/09/1077542809.db2.gz SLYWZWNZNAJLLG-HXUWFJFHSA-N 0 0 415.559 2.777 20 10 HFCDRN CN1C(=O)Cc2cc(NC(=O)C(=O)N(Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000789371633 1077543120 /nfs/dbraw/zinc/54/31/20/1077543120.db2.gz ZQIMJVUULJUTBW-UHFFFAOYSA-N 0 0 419.437 2.672 20 10 HFCDRN CC(C)N(CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O)CC(F)(F)F ZINC000791774432 1077547765 /nfs/dbraw/zinc/54/77/65/1077547765.db2.gz DPGFADQPDXIDTA-UHFFFAOYSA-N 0 0 412.430 2.583 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)cc1 ZINC000789447097 1077577885 /nfs/dbraw/zinc/57/78/85/1077577885.db2.gz ATAUPTMZYVUXLH-UHFFFAOYSA-N 0 0 402.882 2.776 20 10 HFCDRN CCNC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000789506159 1077599441 /nfs/dbraw/zinc/59/94/41/1077599441.db2.gz GJAOVIRSVYUTOG-UHFFFAOYSA-N 0 0 411.506 2.766 20 10 HFCDRN CCNC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000789535409 1077631119 /nfs/dbraw/zinc/63/11/19/1077631119.db2.gz UIJBUUAZYBXYDX-UHFFFAOYSA-N 0 0 421.501 2.768 20 10 HFCDRN C[C@]1(O)CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000792032724 1077658991 /nfs/dbraw/zinc/65/89/91/1077658991.db2.gz GMDSWEXOQUWLOO-IBGZPJMESA-N 0 0 415.456 2.989 20 10 HFCDRN Cc1cc(CCNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)c(C)n1-c1ccccc1 ZINC000792032647 1077658997 /nfs/dbraw/zinc/65/89/97/1077658997.db2.gz CEVDCFPPKNOUHU-XMMPIXPASA-N 0 0 407.514 2.674 20 10 HFCDRN COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](C(F)(F)F)[C@@H]3C)CC2)cc1 ZINC000792056477 1077661984 /nfs/dbraw/zinc/66/19/84/1077661984.db2.gz FIAXUPGPOGANRI-YJBOKZPZSA-N 0 0 414.472 2.800 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCc1ncccc1O ZINC000792033230 1077685578 /nfs/dbraw/zinc/68/55/78/1077685578.db2.gz PRDYPBHTOHNJOF-UHFFFAOYSA-N 0 0 410.396 2.642 20 10 HFCDRN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000792096048 1077713694 /nfs/dbraw/zinc/71/36/94/1077713694.db2.gz GHRIWDTXEAHAAW-XMMPIXPASA-N 0 0 411.546 2.993 20 10 HFCDRN CCS(=O)(=O)c1ccc(CNC(=O)NCCCSc2nccs2)s1 ZINC000792128832 1077715875 /nfs/dbraw/zinc/71/58/75/1077715875.db2.gz PNNVWKDUVJANOC-UHFFFAOYSA-N 0 0 405.592 2.980 20 10 HFCDRN CC(C)[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000792163414 1077731395 /nfs/dbraw/zinc/73/13/95/1077731395.db2.gz ZDCPVQFIBWWXOD-OAHLLOKOSA-N 0 0 424.900 2.863 20 10 HFCDRN 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/nfs/dbraw/zinc/97/42/10/1079974210.db2.gz BAOKEJLDMMEWGK-UHFFFAOYSA-N 0 0 416.865 2.829 20 10 HFCDRN COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1C ZINC001130744790 1080009135 /nfs/dbraw/zinc/00/91/35/1080009135.db2.gz HYHQKSZXZWPAMN-UHFFFAOYSA-N 0 0 417.506 2.652 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(C(C)(C)O)c3)CC2)cc1 ZINC000806857969 1080062457 /nfs/dbraw/zinc/06/24/57/1080062457.db2.gz YTIZZNKFEUOWQC-UHFFFAOYSA-N 0 0 411.502 2.600 20 10 HFCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)cc1F ZINC000806862919 1080065544 /nfs/dbraw/zinc/06/55/44/1080065544.db2.gz SSTIDISIRGUTTE-UHFFFAOYSA-N 0 0 405.857 2.879 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001130780421 1080113163 /nfs/dbraw/zinc/11/31/63/1080113163.db2.gz PGDRVICTTGNVAN-LEWJYISDSA-N 0 0 416.518 2.871 20 10 HFCDRN O=C(NCCCSc1nccs1)NCCCN1C(=O)c2ccccc2C1=O ZINC000806958050 1080124001 /nfs/dbraw/zinc/12/40/01/1080124001.db2.gz BBHXHXGPRHCUHE-UHFFFAOYSA-N 0 0 404.517 2.611 20 10 HFCDRN O=C(C/C=C/c1ccc(F)cc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000747365122 1080124084 /nfs/dbraw/zinc/12/40/84/1080124084.db2.gz XGLRVQHWCAJXMX-OWOJBTEDSA-N 0 0 402.491 2.780 20 10 HFCDRN COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(F)c3Cl)CC2)cc1F ZINC000806935053 1080143903 /nfs/dbraw/zinc/14/39/03/1080143903.db2.gz NHYDGXMQQRLBSN-UHFFFAOYSA-N 0 0 409.820 2.914 20 10 HFCDRN COC(=O)c1cc(C)c(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000807024358 1080219950 /nfs/dbraw/zinc/21/99/50/1080219950.db2.gz KNRRATMSFOSLQM-LLVKDONJSA-N 0 0 420.849 2.532 20 10 HFCDRN COc1ccc2c(c1)OC[C@H](NC(=O)NCc1cc(Br)ccc1O)C2 ZINC000807052312 1080237112 /nfs/dbraw/zinc/23/71/12/1080237112.db2.gz SPCLSDHIKSQZPY-CQSZACIVSA-N 0 0 407.264 2.966 20 10 HFCDRN COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)N3CCc4sccc4C3)C2)cc1 ZINC001130826673 1080237734 /nfs/dbraw/zinc/23/77/34/1080237734.db2.gz GUHCRUYXUJKBEW-QGZVFWFLSA-N 0 0 413.543 2.817 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N[C@H](C)CCSC ZINC000807058522 1080240411 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411.502 2.716 20 10 HFCDRN COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807288258 1080450888 /nfs/dbraw/zinc/45/08/88/1080450888.db2.gz UPOUIRFZEWDKRV-QFIPXVFZSA-N 0 0 419.525 2.921 20 10 HFCDRN COc1ccc([C@@H](C)CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000807287897 1080452251 /nfs/dbraw/zinc/45/22/51/1080452251.db2.gz NMYVEFMQFQYNTA-SFHVURJKSA-N 0 0 407.514 2.998 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000807289013 1080453361 /nfs/dbraw/zinc/45/33/61/1080453361.db2.gz GTIRCXLIUZBLCB-OAQYLSRUSA-N 0 0 407.539 2.826 20 10 HFCDRN O=C(NCc1csc(-c2ccco2)n1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289145 1080453400 /nfs/dbraw/zinc/45/34/00/1080453400.db2.gz KLOBXVIFGOTDFC-UHFFFAOYSA-N 0 0 408.483 2.712 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000807288939 1080454044 /nfs/dbraw/zinc/45/40/44/1080454044.db2.gz DQWYZPBKDDABKB-HSZRJFAPSA-N 0 0 419.525 2.578 20 10 HFCDRN COc1ccc(C[C@H](C)CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000807289294 1080456547 /nfs/dbraw/zinc/45/65/47/1080456547.db2.gz PABIUUKZSPJROR-SFHVURJKSA-N 0 0 407.514 2.683 20 10 HFCDRN COCCN(Cc1ccc(C)cc1C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289400 1080457113 /nfs/dbraw/zinc/45/71/13/1080457113.db2.gz TWJVQOHJVGNIDE-UHFFFAOYSA-N 0 0 421.541 2.971 20 10 HFCDRN CN(CCCOc1ccc(F)cc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290806 1080457674 /nfs/dbraw/zinc/45/76/74/1080457674.db2.gz ABNGVPYJJUIBHQ-UHFFFAOYSA-N 0 0 411.477 2.746 20 10 HFCDRN COCc1ccc([C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000807290304 1080478847 /nfs/dbraw/zinc/47/88/47/1080478847.db2.gz TUZGOFBYTDGAKS-FQEVSTJZSA-N 0 0 409.486 2.782 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCCc3ccccc3F)CC2)cc1 ZINC000807314877 1080507632 /nfs/dbraw/zinc/50/76/32/1080507632.db2.gz NDBGHSPKCCTDAE-UHFFFAOYSA-N 0 0 413.493 2.622 20 10 HFCDRN CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1C ZINC000807385839 1080581025 /nfs/dbraw/zinc/58/10/25/1080581025.db2.gz RRIULVRKTBRKSG-SNVBAGLBSA-N 0 0 409.284 2.886 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccnn1C1CCCC1 ZINC000807386842 1080583023 /nfs/dbraw/zinc/58/30/23/1080583023.db2.gz LWRLUHZZNDNSBS-UHFFFAOYSA-N 0 0 407.268 2.721 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C(C)C ZINC000807449374 1080628658 /nfs/dbraw/zinc/62/86/58/1080628658.db2.gz QJHFKSDGORINRB-MAUKXSAKSA-N 0 0 409.958 2.980 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(OC(F)F)cn1 ZINC000807529755 1080742703 /nfs/dbraw/zinc/74/27/03/1080742703.db2.gz DWMREGPNXOJVMA-UHFFFAOYSA-N 0 0 420.460 2.802 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cscc1C(F)F ZINC001130980109 1080753070 /nfs/dbraw/zinc/75/30/70/1080753070.db2.gz LYDHXXSPMPCDFB-UHFFFAOYSA-N 0 0 400.472 2.851 20 10 HFCDRN COc1cc(C)cc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000807539187 1080753982 /nfs/dbraw/zinc/75/39/82/1080753982.db2.gz DZMAGYBGPKFZFR-IBGZPJMESA-N 0 0 412.486 2.533 20 10 HFCDRN Cc1cccc(F)c1CNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000807516041 1080768398 /nfs/dbraw/zinc/76/83/98/1080768398.db2.gz CONZHMHFVHCDMU-QGZVFWFLSA-N 0 0 400.450 2.664 20 10 HFCDRN COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000747404728 1080787342 /nfs/dbraw/zinc/78/73/42/1080787342.db2.gz XTOJBBQYRVZFIW-NRFANRHFSA-N 0 0 417.550 2.911 20 10 HFCDRN Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)nc1Br ZINC000792996590 1078044000 /nfs/dbraw/zinc/04/40/00/1078044000.db2.gz PIXPRPDVDXAANF-UHFFFAOYSA-N 0 0 418.291 2.992 20 10 HFCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)c1ccc(N2CCOCC2)cc1 ZINC000790502078 1078046485 /nfs/dbraw/zinc/04/64/85/1078046485.db2.gz RPKSPIZEZOUMFQ-IDVKNYFZSA-N 0 0 403.523 2.562 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CO[C@H]3CCCc4c[nH]nc43)cc2F)C[C@@H](C)O1 ZINC000790509122 1078047609 /nfs/dbraw/zinc/04/76/09/1078047609.db2.gz KLSBEJNIONZGAJ-SXGZJXTBSA-N 0 0 416.497 2.873 20 10 HFCDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000793014659 1078049006 /nfs/dbraw/zinc/04/90/06/1078049006.db2.gz UGOKRMNKRVFDAV-UHFFFAOYSA-N 0 0 401.419 2.601 20 10 HFCDRN COc1ccc(CNC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)c(O)c1 ZINC000793017304 1078050294 /nfs/dbraw/zinc/05/02/94/1078050294.db2.gz OZWSEKZKRRDATF-QFBILLFUSA-N 0 0 421.856 2.965 20 10 HFCDRN CC(=O)N1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000793062724 1078059575 /nfs/dbraw/zinc/05/95/75/1078059575.db2.gz UXTPGFSWNVKBQX-DLBZAZTESA-N 0 0 424.492 2.815 20 10 HFCDRN CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000793159374 1078084825 /nfs/dbraw/zinc/08/48/25/1078084825.db2.gz NOGBWLVFGOBCKH-JXFKEZNVSA-N 0 0 415.513 2.620 20 10 HFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3csc(C(F)(F)F)n3)cc2)C1 ZINC000793131623 1078086902 /nfs/dbraw/zinc/08/69/02/1078086902.db2.gz KPEJXWYMBFHACL-GFCCVEGCSA-N 0 0 412.437 2.794 20 10 HFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(F)ccc3-n3cccn3)cc2)C1 ZINC000793132335 1078087167 /nfs/dbraw/zinc/08/71/67/1078087167.db2.gz NHRUCPVBXYJNPU-QGZVFWFLSA-N 0 0 421.476 2.643 20 10 HFCDRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793206943 1078105714 /nfs/dbraw/zinc/10/57/14/1078105714.db2.gz DLUGVNMCMOSHDO-HNNXBMFYSA-N 0 0 408.506 2.550 20 10 HFCDRN C[C@H](NC(=O)c1cnn(CCO)c1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000793207501 1078105971 /nfs/dbraw/zinc/10/59/71/1078105971.db2.gz HMEYLWUAGAWIQU-SFHVURJKSA-N 0 0 420.513 2.870 20 10 HFCDRN CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)c2cccc(O)c2O)c1 ZINC000790769400 1078114558 /nfs/dbraw/zinc/11/45/58/1078114558.db2.gz RSLWDKADYIGPEP-UHFFFAOYSA-N 0 0 414.439 2.619 20 10 HFCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@@H](C)S(=O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000790799642 1078139162 /nfs/dbraw/zinc/13/91/62/1078139162.db2.gz IPEOBDOIJSXRNS-HTQZYQBOSA-N 0 0 422.257 2.620 20 10 HFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(I)ccc1O ZINC000790865743 1078164068 /nfs/dbraw/zinc/16/40/68/1078164068.db2.gz HUXGLEJYQWNFGO-VIFPVBQESA-N 0 0 413.211 2.769 20 10 HFCDRN O=C1NCCN(Cc2cc3c(cc2O)OCO3)[C@H]1c1ccc(Br)cc1 ZINC000793383382 1078161705 /nfs/dbraw/zinc/16/17/05/1078161705.db2.gz GTBZMYDPLPNRRJ-KRWDZBQOSA-N 0 0 405.248 2.557 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3nccs3)cc2Cl)C1 ZINC000793548506 1078208008 /nfs/dbraw/zinc/20/80/08/1078208008.db2.gz PDEOZNOZLGTPRX-ZDUSSCGKSA-N 0 0 406.939 2.965 20 10 HFCDRN CN(C)c1ccc([C@H](CNC(=O)CCc2cnccn2)NC(=O)OC(C)(C)C)cc1 ZINC000793574890 1078212656 /nfs/dbraw/zinc/21/26/56/1078212656.db2.gz VBARGHPEULWBHB-IBGZPJMESA-N 0 0 413.522 2.857 20 10 HFCDRN C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000793591905 1078217602 /nfs/dbraw/zinc/21/76/02/1078217602.db2.gz SZLYYVPLKFQHJY-GHMZBOCLSA-N 0 0 422.161 2.804 20 10 HFCDRN CN(C)c1ccc([C@H](CNC(=O)CC2OCCCO2)NC(=O)OC(C)(C)C)cc1 ZINC000793570579 1078224825 /nfs/dbraw/zinc/22/48/25/1078224825.db2.gz GTGIQGIATMGELH-KRWDZBQOSA-N 0 0 407.511 2.588 20 10 HFCDRN C[C@@H](O)c1ccc(CNC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000793635172 1078235540 /nfs/dbraw/zinc/23/55/40/1078235540.db2.gz HYDGOZCZEAVTLG-GOSISDBHSA-N 0 0 409.530 2.909 20 10 HFCDRN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793674063 1078249335 /nfs/dbraw/zinc/24/93/35/1078249335.db2.gz NXHXZWQWJAEZSC-OALUTQOASA-N 0 0 409.530 2.756 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000793751618 1078291889 /nfs/dbraw/zinc/29/18/89/1078291889.db2.gz RRJJCDJAMXGSOO-IFMALSPDSA-N 0 0 409.530 2.995 20 10 HFCDRN C[C@H](Cc1ccsc1)NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000793793457 1078298921 /nfs/dbraw/zinc/29/89/21/1078298921.db2.gz VCVXZTLSNDPJOQ-CRAIPNDOSA-N 0 0 402.516 2.709 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000793812875 1078315303 /nfs/dbraw/zinc/31/53/03/1078315303.db2.gz NFBWQYGMJWWEEL-UHFFFAOYSA-N 0 0 419.529 2.662 20 10 HFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3-n3cccn3)c2)CC1 ZINC000793882785 1078322704 /nfs/dbraw/zinc/32/27/04/1078322704.db2.gz FTUYIAPTIHBVBD-UHFFFAOYSA-N 0 0 407.449 2.932 20 10 HFCDRN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000793939139 1078352499 /nfs/dbraw/zinc/35/24/99/1078352499.db2.gz RHTYJIXNWFCFRD-IRXDYDNUSA-N 0 0 413.493 2.759 20 10 HFCDRN COc1ccc(N2CCN(C(=O)c3cc(N4C[C@@H](C)O[C@@H](C)C4)ccn3)CC2)cc1 ZINC000794124235 1078374893 /nfs/dbraw/zinc/37/48/93/1078374893.db2.gz LNNPOYNGFZILDK-HDICACEKSA-N 0 0 410.518 2.666 20 10 HFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C(N)=O)o3)c2C)cc1 ZINC000747179211 1078392477 /nfs/dbraw/zinc/39/24/77/1078392477.db2.gz RIFMPNPIDNXFQE-UHFFFAOYSA-N 0 0 424.409 2.612 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)c2cccc(C)c2)c(O)c1 ZINC000794372552 1078429705 /nfs/dbraw/zinc/42/97/05/1078429705.db2.gz AJFNAMTYJILKQW-GOSISDBHSA-N 0 0 402.516 2.877 20 10 HFCDRN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)c2cccc(C)c2)c(O)c1 ZINC000794372555 1078429743 /nfs/dbraw/zinc/42/97/43/1078429743.db2.gz AJFNAMTYJILKQW-SFHVURJKSA-N 0 0 402.516 2.877 20 10 HFCDRN COc1ccc(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c(O)c1 ZINC000794376421 1078430458 /nfs/dbraw/zinc/43/04/58/1078430458.db2.gz FWZXWIKATZBUQI-KDURUIRLSA-N 0 0 421.453 2.609 20 10 HFCDRN COc1ccc(CNC(=O)Cc2cc3c(cc2Br)OCCO3)c(O)c1 ZINC000794378145 1078430701 /nfs/dbraw/zinc/43/07/01/1078430701.db2.gz PLPQVLOTENBBFR-UHFFFAOYSA-N 0 0 408.248 2.793 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)c(O)c1 ZINC000794377080 1078430758 /nfs/dbraw/zinc/43/07/58/1078430758.db2.gz LZEVBADULGJKIH-QGZVFWFLSA-N 0 0 418.877 2.984 20 10 HFCDRN COc1ccc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)c(O)c1 ZINC000794378900 1078431277 /nfs/dbraw/zinc/43/12/77/1078431277.db2.gz GJJAUGDHDCRCHY-UHFFFAOYSA-N 0 0 400.456 2.678 20 10 HFCDRN COc1ccc(CNC(=O)CN(C)C(=O)c2ccc(Br)s2)c(O)c1 ZINC000794379638 1078431472 /nfs/dbraw/zinc/43/14/72/1078431472.db2.gz SXFJQLCKYHQBND-UHFFFAOYSA-N 0 0 413.293 2.613 20 10 HFCDRN COc1ccc(CNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)c(O)c1 ZINC000794381069 1078431489 /nfs/dbraw/zinc/43/14/89/1078431489.db2.gz JYMCNISCKXZNRK-UHFFFAOYSA-N 0 0 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412.465 2.826 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000804735351 1078593457 /nfs/dbraw/zinc/59/34/57/1078593457.db2.gz VTGKPRWRHRACPB-UHFFFAOYSA-N 0 0 418.207 2.574 20 10 HFCDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1cc(Br)ccc1O)C2=O ZINC000804734746 1078593771 /nfs/dbraw/zinc/59/37/71/1078593771.db2.gz XUVUQNGINIWCBM-NSHDSACASA-N 0 0 417.259 2.764 20 10 HFCDRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804736024 1078594745 /nfs/dbraw/zinc/59/47/45/1078594745.db2.gz KJTFFESZNYHIIR-GFCCVEGCSA-N 0 0 401.326 2.719 20 10 HFCDRN Cc1cccc2c(=O)n(CCC(=O)NCc3cc(Br)ccc3O)cnc12 ZINC000804737891 1078597141 /nfs/dbraw/zinc/59/71/41/1078597141.db2.gz SSCLIWHFMZZNCN-UHFFFAOYSA-N 0 0 416.275 2.880 20 10 HFCDRN COc1cc(OCC(=O)NCc2cc(Br)ccc2O)ccc1[N+](=O)[O-] ZINC000804738146 1078597167 /nfs/dbraw/zinc/59/71/67/1078597167.db2.gz DUHHTIQMUDIBIY-UHFFFAOYSA-N 0 0 411.208 2.767 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000804739276 1078597635 /nfs/dbraw/zinc/59/76/35/1078597635.db2.gz DDZVHBVIOKSPBJ-UHFFFAOYSA-N 0 0 418.207 2.574 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccnc(OCC(F)F)c1 ZINC001129660572 1078621060 /nfs/dbraw/zinc/62/10/60/1078621060.db2.gz SIWJSYQFVKMYMG-UHFFFAOYSA-N 0 0 413.371 2.770 20 10 HFCDRN COC(=O)/C=C/c1ccc(N2CC[C@](C(=O)OC)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000804792007 1078624547 /nfs/dbraw/zinc/62/45/47/1078624547.db2.gz RLUJTOJMPRXOGK-NBUZRDOWSA-N 0 0 402.325 2.713 20 10 HFCDRN CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nc(C)cs1 ZINC000804880570 1078704710 /nfs/dbraw/zinc/70/47/10/1078704710.db2.gz WRNIURBIOUQFNF-IAGOWNOFSA-N 0 0 417.531 2.932 20 10 HFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1)c1c(C)nn(C)c1C ZINC000804851547 1078720332 /nfs/dbraw/zinc/72/03/32/1078720332.db2.gz GAPVIMJFWWOQQE-SFHVURJKSA-N 0 0 417.529 2.906 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)cc1F ZINC000804852429 1078721788 /nfs/dbraw/zinc/72/17/88/1078721788.db2.gz IAWPEQSYWBOSIK-UHFFFAOYSA-N 0 0 415.509 2.832 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2OC)cc1F ZINC000804852035 1078722888 /nfs/dbraw/zinc/72/28/88/1078722888.db2.gz XIJFQFZFTOAXRD-UHFFFAOYSA-N 0 0 401.482 2.955 20 10 HFCDRN CCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)C12CCC2 ZINC000804853097 1078724791 /nfs/dbraw/zinc/72/47/91/1078724791.db2.gz SXTAGJCQWOZHJR-RBUKOAKNSA-N 0 0 405.514 2.752 20 10 HFCDRN CCNC(=O)c1ccc(CNC(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804947209 1078776379 /nfs/dbraw/zinc/77/63/79/1078776379.db2.gz YLOKSUQGYCLTSM-UHFFFAOYSA-N 0 0 406.280 2.904 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000804962799 1078801135 /nfs/dbraw/zinc/80/11/35/1078801135.db2.gz IULPQESFZSXKRX-JTQLQIEISA-N 0 0 410.234 2.838 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@@]4(CCCOC4)C3)cc2F)C[C@@H](C)O1 ZINC000804970601 1078806013 /nfs/dbraw/zinc/80/60/13/1078806013.db2.gz YDYXOSBZJDAYLG-YVHKJVDXSA-N 0 0 421.513 2.530 20 10 HFCDRN COCCCOc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000804975048 1078811470 /nfs/dbraw/zinc/81/14/70/1078811470.db2.gz BISKJVWXVCYICY-UHFFFAOYSA-N 0 0 413.518 2.938 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000805022838 1078833366 /nfs/dbraw/zinc/83/33/66/1078833366.db2.gz FYELXCHCBXAQMM-LJQANCHMSA-N 0 0 409.534 2.668 20 10 HFCDRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805026420 1078838844 /nfs/dbraw/zinc/83/88/44/1078838844.db2.gz NAUPHJKEGUGJTM-JOCHJYFZSA-N 0 0 421.545 2.831 20 10 HFCDRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805023968 1078834676 /nfs/dbraw/zinc/83/46/76/1078834676.db2.gz DICGUBAJHRXNCQ-QFIPXVFZSA-N 0 0 423.561 2.945 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](c4nccn4C)C3)cc2)CC1 ZINC000805024060 1078837211 /nfs/dbraw/zinc/83/72/11/1078837211.db2.gz FWNAZCREPDYIRD-HXUWFJFHSA-N 0 0 423.561 2.679 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCc4ccc(C)cc43)CC2)cc1 ZINC000805054837 1078867538 /nfs/dbraw/zinc/86/75/38/1078867538.db2.gz PRHPHHOSRREDNU-JOCHJYFZSA-N 0 0 407.514 2.846 20 10 HFCDRN CC(C)CC(=O)N1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805035197 1078882235 /nfs/dbraw/zinc/88/22/35/1078882235.db2.gz GCWWSEFQFVCOAS-UHFFFAOYSA-N 0 0 412.328 2.991 20 10 HFCDRN COCc1ccccc1CS(=O)(=O)NCc1cc(Br)ccc1O ZINC000805100674 1078886911 /nfs/dbraw/zinc/88/69/11/1078886911.db2.gz HXIGBVAOIYLFAV-UHFFFAOYSA-N 0 0 400.294 2.921 20 10 HFCDRN COC(=O)COc1cccc(CNC(=O)NCc2cc(Br)ccc2O)c1 ZINC000805120494 1078903984 /nfs/dbraw/zinc/90/39/84/1078903984.db2.gz UGWOBRKSQPHWSF-UHFFFAOYSA-N 0 0 423.263 2.706 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1F ZINC000805093632 1078919835 /nfs/dbraw/zinc/91/98/35/1078919835.db2.gz DBMDOWJRLRLXIG-QGZVFWFLSA-N 0 0 420.451 2.734 20 10 HFCDRN Cc1ccc(C[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000805177557 1078962838 /nfs/dbraw/zinc/96/28/38/1078962838.db2.gz GOHORGQJUMOXJF-FQEVSTJZSA-N 0 0 423.557 2.846 20 10 HFCDRN 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411.506 2.851 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792957000 1078035374 /nfs/dbraw/zinc/03/53/74/1078035374.db2.gz VEXHSSVSARHXJV-UHFFFAOYSA-N 0 0 405.296 2.897 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)CC2)cc1 ZINC000792962194 1078036717 /nfs/dbraw/zinc/03/67/17/1078036717.db2.gz GGVJQGAPGNJNBY-QFIPXVFZSA-N 0 0 403.523 2.644 20 10 HFCDRN Cc1ccn(-c2ccccc2CNC(=O)C(=O)NCCCSc2nccs2)n1 ZINC000806276762 1079539280 /nfs/dbraw/zinc/53/92/80/1079539280.db2.gz UQCWEZRDPACZFB-UHFFFAOYSA-N 0 0 415.544 2.552 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000806276872 1079539380 /nfs/dbraw/zinc/53/93/80/1079539380.db2.gz MPKLBRCEKYTIJB-NSHDSACASA-N 0 0 414.603 2.515 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000806279780 1079542523 /nfs/dbraw/zinc/54/25/23/1079542523.db2.gz ZOGZBEQGHNOSCE-INIZCTEOSA-N 0 0 418.588 2.774 20 10 HFCDRN CO[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccc(Cl)cc1 ZINC000806279618 1079542927 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HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000806496842 1079748334 /nfs/dbraw/zinc/74/83/34/1079748334.db2.gz NBMUYCPQYZHAFN-UHFFFAOYSA-N 0 0 407.518 2.992 20 10 HFCDRN CC(=O)NCC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000806541262 1079778003 /nfs/dbraw/zinc/77/80/03/1079778003.db2.gz IFGWTBGFILOUDF-IEBWSBKVSA-N 0 0 402.539 2.532 20 10 HFCDRN CN(C)S(=O)(=O)c1cc(NC(=O)NCCCSc2nccs2)ccc1F ZINC000806543960 1079782320 /nfs/dbraw/zinc/78/23/20/1079782320.db2.gz OMKFNFGVEFNHBL-UHFFFAOYSA-N 0 0 418.541 2.836 20 10 HFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000806804986 1080021783 /nfs/dbraw/zinc/02/17/83/1080021783.db2.gz RPOMDYHEZWNVFQ-GFCCVEGCSA-N 0 0 402.426 2.909 20 10 HFCDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NCc2ccc(N(C)C)cc2C)CC1 ZINC000806820514 1080038171 /nfs/dbraw/zinc/03/81/71/1080038171.db2.gz MEPDWQGMEUCYJL-QGZVFWFLSA-N 0 0 424.611 2.653 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(F)c1Cl ZINC000806843834 1080055263 /nfs/dbraw/zinc/05/52/63/1080055263.db2.gz TUMMYBWPWRYAGT-UHFFFAOYSA-N 0 0 409.820 2.710 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000806852315 1080057246 /nfs/dbraw/zinc/05/72/46/1080057246.db2.gz LIGWUIXUDXZUKP-GOSISDBHSA-N 0 0 419.472 2.828 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3nc4c(s3)CSCC4)ccc21 ZINC000806879308 1080077868 /nfs/dbraw/zinc/07/78/68/1080077868.db2.gz YTZBDMVXWSHEEW-UHFFFAOYSA-N 0 0 402.545 2.570 20 10 HFCDRN O=C(CC[C@H]1CC1(Cl)Cl)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001130780239 1080112741 /nfs/dbraw/zinc/11/27/41/1080112741.db2.gz LAIKPBJPVZNLIZ-AWEZNQCLSA-N 0 0 405.347 2.512 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(CCOC)c(C)cc1=O ZINC000806968158 1080137512 /nfs/dbraw/zinc/13/75/12/1080137512.db2.gz ZTQPAGGVCFMZBA-UHFFFAOYSA-N 0 0 423.307 2.934 20 10 HFCDRN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000806943213 1080153304 /nfs/dbraw/zinc/15/33/04/1080153304.db2.gz RWJIVGOJYIMBAM-QGZVFWFLSA-N 0 0 420.506 2.734 20 10 HFCDRN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000747367890 1080203277 /nfs/dbraw/zinc/20/32/77/1080203277.db2.gz UZBNZUCIHMFLKB-VWQFJMCTSA-N 0 0 409.530 2.559 20 10 HFCDRN C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000807010926 1080208375 /nfs/dbraw/zinc/20/83/75/1080208375.db2.gz RUNBNGGGAWWDGE-OAGGEKHMSA-N 0 0 409.477 2.925 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092009 1080270543 /nfs/dbraw/zinc/27/05/43/1080270543.db2.gz REIRASBOKSPCKM-QHCPKHFHSA-N 0 0 419.525 2.963 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000807094929 1080273263 /nfs/dbraw/zinc/27/32/63/1080273263.db2.gz FSGTWLLNGVAWGY-FQEVSTJZSA-N 0 0 409.530 2.743 20 10 HFCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000807096007 1080273664 /nfs/dbraw/zinc/27/36/64/1080273664.db2.gz RLLCTCXYTAKTFF-AWEZNQCLSA-N 0 0 419.551 2.533 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000807095552 1080274167 /nfs/dbraw/zinc/27/41/67/1080274167.db2.gz CKDISJWGLKDZIM-JOCHJYFZSA-N 0 0 409.530 2.576 20 10 HFCDRN COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807096089 1080274245 /nfs/dbraw/zinc/27/42/45/1080274245.db2.gz ILOFSONIKMJGOQ-NRFANRHFSA-N 0 0 409.530 2.920 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000807099778 1080278119 /nfs/dbraw/zinc/27/81/19/1080278119.db2.gz FRRQXYIFEHIAJY-RTBURBONSA-N 0 0 415.559 2.853 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000807099776 1080278169 /nfs/dbraw/zinc/27/81/69/1080278169.db2.gz FRRQXYIFEHIAJY-RBUKOAKNSA-N 0 0 415.559 2.853 20 10 HFCDRN CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)CCO2 ZINC000807290461 1080441676 /nfs/dbraw/zinc/44/16/76/1080441676.db2.gz KJXKFOCXDRQQRT-NRFANRHFSA-N 0 0 421.497 2.718 20 10 HFCDRN COc1c(C)cc(CN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1C ZINC000807287277 1080448810 /nfs/dbraw/zinc/44/88/10/1080448810.db2.gz IQQNTSUQKSVWSW-UHFFFAOYSA-N 0 0 407.514 2.963 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000807287719 1080452191 /nfs/dbraw/zinc/45/21/91/1080452191.db2.gz MLIXFWYOKYCKOH-UHFFFAOYSA-N 0 0 420.469 2.778 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 ZINC000807288940 1080454089 /nfs/dbraw/zinc/45/40/89/1080454089.db2.gz DQWYZPBKDDABKB-QHCPKHFHSA-N 0 0 419.525 2.578 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C2CC2)cc1 ZINC000807290261 1080454861 /nfs/dbraw/zinc/45/48/61/1080454861.db2.gz SKNQBQFIKYKAET-UHFFFAOYSA-N 0 0 418.541 2.936 20 10 HFCDRN COc1cccc(C[C@@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000807289843 1080456118 /nfs/dbraw/zinc/45/61/18/1080456118.db2.gz KPKADHGCAZBCPL-QFIPXVFZSA-N 0 0 419.525 2.921 20 10 HFCDRN COC(=O)[C@@H](O)C1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000747389152 1080468019 /nfs/dbraw/zinc/46/80/19/1080468019.db2.gz GPACVEMNJIZHRX-NRFANRHFSA-N 0 0 413.518 2.592 20 10 HFCDRN CSCCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000807262296 1080469868 /nfs/dbraw/zinc/46/98/68/1080469868.db2.gz SQNVKNJSJAWNII-AWEZNQCLSA-N 0 0 415.506 2.632 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000807294919 1080485214 /nfs/dbraw/zinc/48/52/14/1080485214.db2.gz ILPALNRPPQCRMH-IBGZPJMESA-N 0 0 411.550 2.552 20 10 HFCDRN CCN1CCc2ccc(NC(=O)C(=O)NCc3cc(Br)ccc3O)cc21 ZINC000807385277 1080579985 /nfs/dbraw/zinc/57/99/85/1080579985.db2.gz HEAJZBWFYMTMNB-UHFFFAOYSA-N 0 0 418.291 2.792 20 10 HFCDRN CC(C)(O)c1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000807385928 1080581224 /nfs/dbraw/zinc/58/12/24/1080581224.db2.gz VEKNIMDAUFCWES-UHFFFAOYSA-N 0 0 407.264 2.637 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000807387021 1080582610 /nfs/dbraw/zinc/58/26/10/1080582610.db2.gz VFVOMSCKPNTDTI-UHFFFAOYSA-N 0 0 421.247 2.571 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000807387441 1080584301 /nfs/dbraw/zinc/58/43/01/1080584301.db2.gz KJLHQJGYQYCJOI-UHFFFAOYSA-N 0 0 403.154 2.827 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)C(C)C ZINC000807449373 1080628685 /nfs/dbraw/zinc/62/86/85/1080628685.db2.gz QJHFKSDGORINRB-CRAIPNDOSA-N 0 0 409.958 2.980 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807459029 1080636824 /nfs/dbraw/zinc/63/68/24/1080636824.db2.gz OQPLSEJOXLSCCU-IBGZPJMESA-N 0 0 401.555 2.964 20 10 HFCDRN C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000807548000 1080763957 /nfs/dbraw/zinc/76/39/57/1080763957.db2.gz NUBHAZVITRRVCJ-KRWDZBQOSA-N 0 0 413.518 2.806 20 10 HFCDRN COc1ccccc1OC[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807570334 1080783224 /nfs/dbraw/zinc/78/32/24/1080783224.db2.gz QYSGZOKINIUPRH-IAGOWNOFSA-N 0 0 413.518 2.770 20 10 HFCDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001116763485 1126145817 /nfs/dbraw/zinc/14/58/17/1126145817.db2.gz XICMKADVYHGKKW-NRFANRHFSA-N 0 0 424.457 2.698 20 10 HFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 ZINC000790539656 1078046075 /nfs/dbraw/zinc/04/60/75/1078046075.db2.gz AKYDHMSVIFQROB-RBBKRZOGSA-N 0 0 408.502 2.848 20 10 HFCDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793120185 1078070116 /nfs/dbraw/zinc/07/01/16/1078070116.db2.gz MVTTVBPZJFOPSJ-SFHVURJKSA-N 0 0 421.513 2.924 20 10 HFCDRN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790701179 1078099845 /nfs/dbraw/zinc/09/98/45/1078099845.db2.gz ILBFKAUKFRTNSH-LBPRGKRZSA-N 0 0 400.460 2.728 20 10 HFCDRN C[C@@H](NC(=O)c1cnn(CCO)c1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000793207493 1078106053 /nfs/dbraw/zinc/10/60/53/1078106053.db2.gz HMEYLWUAGAWIQU-GOSISDBHSA-N 0 0 420.513 2.870 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2(S(C)(=O)=O)CC2)cc1 ZINC000793264687 1078113398 /nfs/dbraw/zinc/11/33/98/1078113398.db2.gz DYRWQIMFDCYADF-UHFFFAOYSA-N 0 0 405.520 2.635 20 10 HFCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCC(C)(C4CC4)CC3)CC2)cc1 ZINC000793464904 1078180588 /nfs/dbraw/zinc/18/05/88/1078180588.db2.gz BDZBUBNUDXPUNP-MDZDMXLPSA-N 0 0 411.546 2.939 20 10 HFCDRN C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2[O-])[C@H](C)C1 ZINC000793591907 1078217670 /nfs/dbraw/zinc/21/76/70/1078217670.db2.gz SZLYYVPLKFQHJY-MNOVXSKESA-N 0 0 422.161 2.804 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)cc1F ZINC000793632849 1078235263 /nfs/dbraw/zinc/23/52/63/1078235263.db2.gz QQAHXZKJZZNIDB-OAHLLOKOSA-N 0 0 401.482 2.658 20 10 HFCDRN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793674062 1078249282 /nfs/dbraw/zinc/24/92/82/1078249282.db2.gz NXHXZWQWJAEZSC-MOPGFXCFSA-N 0 0 409.530 2.756 20 10 HFCDRN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000793674065 1078249611 /nfs/dbraw/zinc/24/96/11/1078249611.db2.gz NXHXZWQWJAEZSC-RTBURBONSA-N 0 0 409.530 2.756 20 10 HFCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000793746038 1078289066 /nfs/dbraw/zinc/28/90/66/1078289066.db2.gz ULGZHXDHMAQHRN-QFIPXVFZSA-N 0 0 402.535 2.676 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000793788474 1078295971 /nfs/dbraw/zinc/29/59/71/1078295971.db2.gz YEBSWMOQEMOZTR-YADHBBJMSA-N 0 0 423.488 2.855 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000793803195 1078303247 /nfs/dbraw/zinc/30/32/47/1078303247.db2.gz WGWCZUCMIKGTHR-OAHLLOKOSA-N 0 0 419.472 2.963 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCCO3)cc2Cl)C1 ZINC000793796154 1078300300 /nfs/dbraw/zinc/30/03/00/1078300300.db2.gz URZUDHKDIMBDMG-DOTOQJQBSA-N 0 0 407.942 2.878 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1F ZINC000793824588 1078317769 /nfs/dbraw/zinc/31/77/69/1078317769.db2.gz LJWXNLNOKXMPNS-OAHLLOKOSA-N 0 0 401.482 2.741 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000793855102 1078324674 /nfs/dbraw/zinc/32/46/74/1078324674.db2.gz XSGUGXFFVMIMCZ-MRXNPFEDSA-N 0 0 401.532 2.981 20 10 HFCDRN Cc1ccc(C(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(O)c1O ZINC000794043963 1078365024 /nfs/dbraw/zinc/36/50/24/1078365024.db2.gz FSYWKCMNRXLHTA-UHFFFAOYSA-N 0 0 406.438 2.865 20 10 HFCDRN COc1ccc(CNC(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000794373091 1078429745 /nfs/dbraw/zinc/42/97/45/1078429745.db2.gz GJHBJGJAPQHJRN-UHFFFAOYSA-N 0 0 407.488 2.670 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(O)c1 ZINC000794380802 1078432011 /nfs/dbraw/zinc/43/20/11/1078432011.db2.gz DXKMORPCXGSUPY-AWEZNQCLSA-N 0 0 400.422 2.909 20 10 HFCDRN COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)c(O)c1 ZINC000794383928 1078432751 /nfs/dbraw/zinc/43/27/51/1078432751.db2.gz UBCQRBHWXKPGSA-UHFFFAOYSA-N 0 0 404.488 2.505 20 10 HFCDRN COc1cccc(-n2c(C)nnc2SCC(=O)NCc2ccc(OC)cc2O)c1 ZINC000794386769 1078432895 /nfs/dbraw/zinc/43/28/95/1078432895.db2.gz ABXUBSGXCFQCGE-UHFFFAOYSA-N 0 0 414.487 2.707 20 10 HFCDRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)c(O)c1 ZINC000794389412 1078433973 /nfs/dbraw/zinc/43/39/73/1078433973.db2.gz MZMZAAJRZOBCRI-SWLSCSKDSA-N 0 0 414.458 2.943 20 10 HFCDRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@H]2C)c(O)c1 ZINC000794389410 1078434011 /nfs/dbraw/zinc/43/40/11/1078434011.db2.gz MZMZAAJRZOBCRI-DOMZBBRYSA-N 0 0 414.458 2.943 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccc(OC)c(F)c1 ZINC000804652911 1078481981 /nfs/dbraw/zinc/48/19/81/1078481981.db2.gz OVWQOXHWPKBWHH-UHFFFAOYSA-N 0 0 401.482 2.608 20 10 HFCDRN Cc1ccccc1[C@H](CC(=O)NCc1cc(Br)ccc1O)NC(N)=O ZINC000804739656 1078574875 /nfs/dbraw/zinc/57/48/75/1078574875.db2.gz NRXUFHURZFYQCL-HNNXBMFYSA-N 0 0 406.280 2.879 20 10 HFCDRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1cc(Br)ccc1O ZINC000804738968 1078574893 /nfs/dbraw/zinc/57/48/93/1078574893.db2.gz LALJNBDACFVDFT-CYBMUJFWSA-N 0 0 405.292 2.908 20 10 HFCDRN CCS(=O)(=O)c1cccc(CC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804732908 1078592214 /nfs/dbraw/zinc/59/22/14/1078592214.db2.gz FAJHKCBVBOTEDO-UHFFFAOYSA-N 0 0 412.305 2.807 20 10 HFCDRN Cc1cc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(C)n1-c1ccccc1C ZINC000804559283 1078593690 /nfs/dbraw/zinc/59/36/90/1078593690.db2.gz WUYPWUCXPGZDTK-HXOBKFHXSA-N 0 0 408.502 2.995 20 10 HFCDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1cc(Br)ccc1O)C2=O ZINC000804734745 1078593806 /nfs/dbraw/zinc/59/38/06/1078593806.db2.gz XUVUQNGINIWCBM-LLVKDONJSA-N 0 0 417.259 2.764 20 10 HFCDRN CC(=O)N(CCc1ccccc1)CC(=O)NCc1cc(Br)ccc1O ZINC000804735928 1078594287 /nfs/dbraw/zinc/59/42/87/1078594287.db2.gz IHLNBMWFEJZPAI-UHFFFAOYSA-N 0 0 405.292 2.862 20 10 HFCDRN CCn1c(=O)[nH]c2cc(C(=O)NCc3cc(Br)ccc3O)ccc2c1=O ZINC000804736263 1078594310 /nfs/dbraw/zinc/59/43/10/1078594310.db2.gz ORFQQBCJLVZSPI-UHFFFAOYSA-N 0 0 418.247 2.520 20 10 HFCDRN O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1cc(Br)ccc1O ZINC000804739267 1078597550 /nfs/dbraw/zinc/59/75/50/1078597550.db2.gz CSZWTRVEPPJQLC-UHFFFAOYSA-N 0 0 418.696 2.898 20 10 HFCDRN COc1ccc2c(c1)C[C@@H](C(=O)NCc1cc(F)c(N3CCOCC3)c(F)c1)CO2 ZINC001129661083 1078622102 /nfs/dbraw/zinc/62/21/02/1078622102.db2.gz FCRRVYCSKNGGKR-MRXNPFEDSA-N 0 0 418.440 2.678 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC001129661147 1078622171 /nfs/dbraw/zinc/62/21/71/1078622171.db2.gz HMHKVQGJVHNTLB-LJQANCHMSA-N 0 0 401.413 2.935 20 10 HFCDRN CCc1nn(C)c(CC)c1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001129661139 1078622198 /nfs/dbraw/zinc/62/21/98/1078622198.db2.gz HGTZOOGYLUVOPO-UHFFFAOYSA-N 0 0 406.477 2.519 20 10 HFCDRN CCCOc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000804858146 1078683468 /nfs/dbraw/zinc/68/34/68/1078683468.db2.gz MVMQFOZEVKXTAB-UHFFFAOYSA-N 0 0 412.534 2.990 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCCc2nc(C(C)(C)C)cs2)cc1 ZINC000804865161 1078690748 /nfs/dbraw/zinc/69/07/48/1078690748.db2.gz CZCRJOYICVIBIH-UHFFFAOYSA-N 0 0 402.564 2.824 20 10 HFCDRN CC(=O)N1CCN(c2ccc(CNc3nn4c(C)nnc4c4ccccc43)cc2)CC1 ZINC000804644593 1078697055 /nfs/dbraw/zinc/69/70/55/1078697055.db2.gz KMEBZTJGUFRPBS-UHFFFAOYSA-N 0 0 415.501 2.867 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)c2c(C)noc2C)cc1F ZINC000804852932 1078725270 /nfs/dbraw/zinc/72/52/70/1078725270.db2.gz ILZMXPZEVIMFMT-CYBMUJFWSA-N 0 0 404.486 2.813 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCOc2ccccc2)cc1F ZINC000804853860 1078725818 /nfs/dbraw/zinc/72/58/18/1078725818.db2.gz WOZSAGWJEZJVQV-UHFFFAOYSA-N 0 0 401.482 2.826 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c(C)nn(C)c3Br)C2)cc1 ZINC001129993207 1078728218 /nfs/dbraw/zinc/72/82/18/1078728218.db2.gz LBIQXSMMGKSUBL-ZDUSSCGKSA-N 0 0 407.312 2.756 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)C2)cc1 ZINC001129992920 1078760135 /nfs/dbraw/zinc/76/01/35/1078760135.db2.gz BHRBLCPTSMOKOE-QUCCMNQESA-N 0 0 407.514 2.800 20 10 HFCDRN CC1(C)CC[C@H]1NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000804976607 1078811919 /nfs/dbraw/zinc/81/19/19/1078811919.db2.gz HPWDDLREPAUTHW-LJQANCHMSA-N 0 0 412.513 2.930 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3nccn3C(F)F)cc2)CC1 ZINC000805025172 1078838580 /nfs/dbraw/zinc/83/85/80/1078838580.db2.gz JMMKWFXJLDIDJQ-UHFFFAOYSA-N 0 0 419.476 2.789 20 10 HFCDRN CC(C)[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCO1 ZINC000805022788 1078833331 /nfs/dbraw/zinc/83/33/31/1078833331.db2.gz DFARFAPVOYGQRU-TZIWHRDSSA-N 0 0 401.551 2.859 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](OC(F)F)C3)cc2)CC1 ZINC000805023168 1078835942 /nfs/dbraw/zinc/83/59/42/1078835942.db2.gz CENXTUHASCYRFE-SFHVURJKSA-N 0 0 409.477 2.769 20 10 HFCDRN CCC[C@]1(CO)CCCN1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805025854 1078837290 /nfs/dbraw/zinc/83/72/90/1078837290.db2.gz WUKXMNQGTHYRDT-HSZRJFAPSA-N 0 0 401.551 2.693 20 10 HFCDRN CC1CCN(c2ccc(CNC(=O)N3CCN(CC(F)(F)F)C(=O)C3)cc2)CC1 ZINC000805091447 1078918424 /nfs/dbraw/zinc/91/84/24/1078918424.db2.gz JOFKTXXTTAETNO-UHFFFAOYSA-N 0 0 412.456 2.839 20 10 HFCDRN O=C(NCCCc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000805155277 1078950282 /nfs/dbraw/zinc/95/02/82/1078950282.db2.gz ZQVFFCXXQJTHDP-UHFFFAOYSA-N 0 0 402.498 2.909 20 10 HFCDRN COc1cc(N2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)cc(OC)c1OC ZINC000805198112 1078971001 /nfs/dbraw/zinc/97/10/01/1078971001.db2.gz JVDCTIQTAHQLGK-UHFFFAOYSA-N 0 0 422.485 2.861 20 10 HFCDRN CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001130185961 1079079414 /nfs/dbraw/zinc/07/94/14/1079079414.db2.gz XQOBZWWIHSQBNO-INIZCTEOSA-N 0 0 408.506 2.568 20 10 HFCDRN COCCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001130185488 1079078266 /nfs/dbraw/zinc/07/82/66/1079078266.db2.gz JMXXDVDODWOWEK-KRWDZBQOSA-N 0 0 414.502 2.985 20 10 HFCDRN CCOC(=O)C[C@H](OC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(C)=O ZINC000805540956 1079130662 /nfs/dbraw/zinc/13/06/62/1079130662.db2.gz OGAAFWXDKIBRQN-NRFANRHFSA-N 0 0 414.502 2.862 20 10 HFCDRN Cc1cccc2c(CCNC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c[nH]c21 ZINC000805663539 1079208867 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COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000790221591 1077979620 /nfs/dbraw/zinc/97/96/20/1077979620.db2.gz DAEWQDFOQHMMAU-MRJFECKCSA-N 0 0 423.488 2.711 20 10 HFCDRN O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000790356694 1078003328 /nfs/dbraw/zinc/00/33/28/1078003328.db2.gz NNCPFFOUHIEQCA-UHFFFAOYSA-N 0 0 416.421 2.742 20 10 HFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@]2(CCOC2)O1 ZINC000792835042 1078008521 /nfs/dbraw/zinc/00/85/21/1078008521.db2.gz KGZFDJGTKXZNFU-FPOVZHCZSA-N 0 0 405.564 2.719 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790382698 1078009800 /nfs/dbraw/zinc/00/98/00/1078009800.db2.gz ZHBCNFNZFDHBDH-OAQYLSRUSA-N 0 0 408.477 2.802 20 10 HFCDRN O=S(=O)(Nc1ccc(O)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000790382703 1078009811 /nfs/dbraw/zinc/00/98/11/1078009811.db2.gz ZLVFTLNTIQKYGU-UHFFFAOYSA-N 0 0 410.517 2.758 20 10 HFCDRN Cc1nc(CS(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cs1 ZINC000790395123 1078014230 /nfs/dbraw/zinc/01/42/30/1078014230.db2.gz PISBNFTXPMOFDE-OAHLLOKOSA-N 0 0 415.968 2.895 20 10 HFCDRN COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc([N+](=O)[O-])c1C ZINC000790364451 1078014725 /nfs/dbraw/zinc/01/47/25/1078014725.db2.gz BNMUCUVFWAOWIO-UHFFFAOYSA-N 0 0 403.410 2.818 20 10 HFCDRN C[C@H](NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000792852028 1078014879 /nfs/dbraw/zinc/01/48/79/1078014879.db2.gz HOICAHBYKHUXNX-JTSKRJEESA-N 0 0 403.523 2.564 20 10 HFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000792957722 1078035233 /nfs/dbraw/zinc/03/52/33/1078035233.db2.gz ZNDSSPPXJPWNPH-UHFFFAOYSA-N 0 0 420.513 2.982 20 10 HFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)nc1Br ZINC000792991417 1078042697 /nfs/dbraw/zinc/04/26/97/1078042697.db2.gz DVJPZMXPFKAPFX-UHFFFAOYSA-N 0 0 415.291 2.784 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000806275977 1079537715 /nfs/dbraw/zinc/53/77/15/1079537715.db2.gz BJAQAHDZSOEUIR-QGZVFWFLSA-N 0 0 419.572 2.949 20 10 HFCDRN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCSc1nccs1)CCC2 ZINC000806276687 1079539371 /nfs/dbraw/zinc/53/93/71/1079539371.db2.gz JGUJEDAJETYBDC-CQSZACIVSA-N 0 0 407.565 2.713 20 10 HFCDRN COc1cccc(C[C@@H]2CCCN2C(=O)C(=O)NCCCSc2nccs2)c1 ZINC000806279725 1079542487 /nfs/dbraw/zinc/54/24/87/1079542487.db2.gz XZBRNRAAJJPTFY-INIZCTEOSA-N 0 0 419.572 2.984 20 10 HFCDRN Cc1ccnc(OC2CCN(C(=O)C(=O)NCCCSc3nccs3)CC2)c1 ZINC000806279738 1079542507 /nfs/dbraw/zinc/54/25/07/1079542507.db2.gz YKDMIEUQMMISSG-UHFFFAOYSA-N 0 0 420.560 2.515 20 10 HFCDRN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806281090 1079543520 /nfs/dbraw/zinc/54/35/20/1079543520.db2.gz MWEXGBZWDZGOSQ-HNNXBMFYSA-N 0 0 419.572 2.986 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H](c2ccccc2)O1 ZINC000806282016 1079544028 /nfs/dbraw/zinc/54/40/28/1079544028.db2.gz FSWQGWKGKQRXQH-GDBMZVCRSA-N 0 0 405.545 2.730 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCOC3CCCCCC3)CC2)cc1 ZINC000806330390 1079602597 /nfs/dbraw/zinc/60/25/97/1079602597.db2.gz NHCLKMJIKNEIIZ-UHFFFAOYSA-N 0 0 417.550 2.590 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000806333070 1079603887 /nfs/dbraw/zinc/60/38/87/1079603887.db2.gz DXKQIJUEBJYWGX-UHFFFAOYSA-N 0 0 416.547 2.546 20 10 HFCDRN C[C@H]1CN(C(C)(C)CNC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000806355599 1079644499 /nfs/dbraw/zinc/64/44/99/1079644499.db2.gz XSFFBQQVWLHDRL-STQMWFEESA-N 0 0 414.344 2.842 20 10 HFCDRN CCNC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806439567 1079708059 /nfs/dbraw/zinc/70/80/59/1079708059.db2.gz CTOBESCVAZYIMM-IBGZPJMESA-N 0 0 404.580 2.830 20 10 HFCDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542854 1079781597 /nfs/dbraw/zinc/78/15/97/1079781597.db2.gz ZCOGJXPYQJTJTK-XLIONFOSSA-N 0 0 418.538 2.894 20 10 HFCDRN CNS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000806546276 1079785079 /nfs/dbraw/zinc/78/50/79/1079785079.db2.gz PWBUFXPOXZUYJZ-UHFFFAOYSA-N 0 0 420.510 2.996 20 10 HFCDRN COc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c(C)c1OC ZINC000806549171 1079787140 /nfs/dbraw/zinc/78/71/40/1079787140.db2.gz MWPMGKOTVHYICZ-VBKFSLOCSA-N 0 0 408.545 2.546 20 10 HFCDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000806512836 1079788970 /nfs/dbraw/zinc/78/89/70/1079788970.db2.gz VJRZLSMTYGQVSP-FQEVSTJZSA-N 0 0 418.538 2.676 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cn2cccc(C)c2n1 ZINC000806537153 1079809272 /nfs/dbraw/zinc/80/92/72/1079809272.db2.gz PFPHIRVNUGAOPA-UHFFFAOYSA-N 0 0 408.502 2.836 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000806633277 1079887879 /nfs/dbraw/zinc/88/78/79/1079887879.db2.gz KFOAXDGGDLAXOL-KRWDZBQOSA-N 0 0 405.502 2.740 20 10 HFCDRN COc1ccc(CCNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000806647723 1079903810 /nfs/dbraw/zinc/90/38/10/1079903810.db2.gz ZYYSUJYRLFJKPZ-UHFFFAOYSA-N 0 0 403.910 2.732 20 10 HFCDRN CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000806683225 1079911037 /nfs/dbraw/zinc/91/10/37/1079911037.db2.gz CPNDHQFCWGKJIV-GOSISDBHSA-N 0 0 404.511 2.584 20 10 HFCDRN O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000806691570 1079915919 /nfs/dbraw/zinc/91/59/19/1079915919.db2.gz KQLZIIRDOIFSSX-LJQANCHMSA-N 0 0 416.518 2.855 20 10 HFCDRN CNC(=O)c1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1Br ZINC000806737387 1079964169 /nfs/dbraw/zinc/96/41/69/1079964169.db2.gz XYXQUSHUNMNGML-SNVBAGLBSA-N 0 0 422.279 2.973 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000806773752 1079992161 /nfs/dbraw/zinc/99/21/61/1079992161.db2.gz BUEAPZMUXCXZIC-UHFFFAOYSA-N 0 0 419.529 2.818 20 10 HFCDRN CCS(=O)(=O)c1cccc(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001130744851 1080009194 /nfs/dbraw/zinc/00/91/94/1080009194.db2.gz JPQNWYIKLSONSX-UHFFFAOYSA-N 0 0 404.532 2.626 20 10 HFCDRN CSc1nc(=O)[nH]c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000747361008 1080073029 /nfs/dbraw/zinc/07/30/29/1080073029.db2.gz GQBOPZHZDHXWBI-RYUDHWBXSA-N 0 0 420.510 2.895 20 10 HFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3nc(C4CCOCC4)cs3)ccc21 ZINC000806878044 1080077142 /nfs/dbraw/zinc/07/71/42/1080077142.db2.gz GLNMIOIWEFRVCU-UHFFFAOYSA-N 0 0 414.531 2.674 20 10 HFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000806885807 1080082374 /nfs/dbraw/zinc/08/23/74/1080082374.db2.gz IRBIFWSMZMYGIB-NSHDSACASA-N 0 0 405.476 2.567 20 10 HFCDRN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000806921111 1080090187 /nfs/dbraw/zinc/09/01/87/1080090187.db2.gz QGFPMLIHHFCKTJ-UHFFFAOYSA-N 0 0 409.486 2.618 20 10 HFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCc2ccccc2CC1 ZINC001130780595 1080114022 /nfs/dbraw/zinc/11/40/22/1080114022.db2.gz UFYFHKVAVIEYPA-UHFFFAOYSA-N 0 0 412.555 2.733 20 10 HFCDRN O=C(NCCCSc1nccs1)NCCCn1cc(Br)cn1 ZINC000806959537 1080125423 /nfs/dbraw/zinc/12/54/23/1080125423.db2.gz WOCAPYUBNVEIOP-UHFFFAOYSA-N 0 0 404.359 2.974 20 10 HFCDRN CCc1cc(NC(=O)C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccc1F ZINC000806934757 1080142056 /nfs/dbraw/zinc/14/20/56/1080142056.db2.gz IUXFLQSYXNRSNW-UHFFFAOYSA-N 0 0 403.429 2.823 20 10 HFCDRN Nc1nc(C2CC2)ncc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806950747 1080159198 /nfs/dbraw/zinc/15/91/98/1080159198.db2.gz XZGIEACBGZKHBX-CYBMUJFWSA-N 0 0 403.433 2.936 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000806951519 1080161097 /nfs/dbraw/zinc/16/10/97/1080161097.db2.gz ZKLLSKXANJUUEP-VXGBXAGGSA-N 0 0 413.312 2.575 20 10 HFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000807032748 1080225254 /nfs/dbraw/zinc/22/52/54/1080225254.db2.gz PVNCYCTVQFAZEA-HNNXBMFYSA-N 0 0 421.513 2.986 20 10 HFCDRN CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(c4ccc(OC)cc4)C3)CC2=O)cc1 ZINC001130826496 1080237474 /nfs/dbraw/zinc/23/74/74/1080237474.db2.gz ARCNDDLQKALPCK-MSOLQXFVSA-N 0 0 423.513 2.842 20 10 HFCDRN CC(C)(O)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1 ZINC000807057615 1080240139 /nfs/dbraw/zinc/24/01/39/1080240139.db2.gz GUGGLKCZUGWNTE-UHFFFAOYSA-N 0 0 407.264 2.637 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000807065711 1080246923 /nfs/dbraw/zinc/24/69/23/1080246923.db2.gz IABVOERAMVLSCY-CQSZACIVSA-N 0 0 410.312 2.888 20 10 HFCDRN Cc1cc(C)n(-c2ccccc2CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000807094819 1080273331 /nfs/dbraw/zinc/27/33/31/1080273331.db2.gz BTNVJGNBHDKYAP-UHFFFAOYSA-N 0 0 419.529 2.796 20 10 HFCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C)CCC2 ZINC000807097432 1080275769 /nfs/dbraw/zinc/27/57/69/1080275769.db2.gz YIGLIEBCAHWDJR-SFHVURJKSA-N 0 0 400.548 2.978 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000807098567 1080277173 /nfs/dbraw/zinc/27/71/73/1080277173.db2.gz YGISKYYDRUBGGX-LJQANCHMSA-N 0 0 408.546 2.710 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000807099774 1080278046 /nfs/dbraw/zinc/27/80/46/1080278046.db2.gz FRRQXYIFEHIAJY-OALUTQOASA-N 0 0 415.559 2.853 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000807099323 1080279419 /nfs/dbraw/zinc/27/94/19/1080279419.db2.gz RRRXWHSUDGJNLD-GCJKJVERSA-N 0 0 409.530 2.961 20 10 HFCDRN Cc1cnc(C2CCN(C(=O)C(=O)NCc3ccc(N(C)C)cc3C)CC2)s1 ZINC000807103320 1080282886 /nfs/dbraw/zinc/28/28/86/1080282886.db2.gz OTGLONULWXSSFY-UHFFFAOYSA-N 0 0 400.548 2.848 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000807103258 1080283006 /nfs/dbraw/zinc/28/30/06/1080283006.db2.gz MWKFCDNDFBNGLA-INIZCTEOSA-N 0 0 421.501 2.647 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@H]3CCC[C@@H](SC)C3)CC2)cc1 ZINC000807205843 1080354738 /nfs/dbraw/zinc/35/47/38/1080354738.db2.gz RGSQIRRTSKOCPM-QFBILLFUSA-N 0 0 405.564 2.524 20 10 HFCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000807235836 1080392467 /nfs/dbraw/zinc/39/24/67/1080392467.db2.gz PWLJGKKLEJHTLK-HSZRJFAPSA-N 0 0 422.485 2.959 20 10 HFCDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000807277969 1080433705 /nfs/dbraw/zinc/43/37/05/1080433705.db2.gz DRZHCCCHJJJWAA-MRXNPFEDSA-N 0 0 415.559 2.599 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000807289012 1080453304 /nfs/dbraw/zinc/45/33/04/1080453304.db2.gz GTIRCXLIUZBLCB-NRFANRHFSA-N 0 0 407.539 2.826 20 10 HFCDRN CCc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)cc1 ZINC000807292010 1080479319 /nfs/dbraw/zinc/47/93/19/1080479319.db2.gz RSXYFKNGDJUUKF-UHFFFAOYSA-N 0 0 418.541 2.590 20 10 HFCDRN Cc1ccc(OC(F)F)c(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000807291393 1080479588 /nfs/dbraw/zinc/47/95/88/1080479588.db2.gz IOWYACFNQUAYPO-UHFFFAOYSA-N 0 0 415.440 2.905 20 10 HFCDRN Cn1c(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)nc2cc(Cl)ccc21 ZINC000807291438 1080480305 /nfs/dbraw/zinc/48/03/05/1080480305.db2.gz KJNGJKOQQBMRMC-UHFFFAOYSA-N 0 0 423.904 2.536 20 10 HFCDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807385650 1080580852 /nfs/dbraw/zinc/58/08/52/1080580852.db2.gz ONJDZLZLWIWONZ-UHFFFAOYSA-N 0 0 422.235 2.935 20 10 HFCDRN CCOCc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000807386942 1080583198 /nfs/dbraw/zinc/58/31/98/1080583198.db2.gz RKBJTXTYTXELJJ-UHFFFAOYSA-N 0 0 407.264 2.946 20 10 HFCDRN CC(C)(C)c1nnc(NC(=O)C(=O)NCc2cc(Br)ccc2O)s1 ZINC000807387808 1080584637 /nfs/dbraw/zinc/58/46/37/1080584637.db2.gz YCMIDZYJDCKKGF-UHFFFAOYSA-N 0 0 413.297 2.559 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)C2CC2)cc1 ZINC000807432746 1080592120 /nfs/dbraw/zinc/59/21/20/1080592120.db2.gz SJQGQEMZVXYCLB-QFIPXVFZSA-N 0 0 409.530 2.874 20 10 HFCDRN COC[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)C(C)C ZINC000807449376 1080628652 /nfs/dbraw/zinc/62/86/52/1080628652.db2.gz QJHFKSDGORINRB-YJBOKZPZSA-N 0 0 409.958 2.980 20 10 HFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000807454023 1080634212 /nfs/dbraw/zinc/63/42/12/1080634212.db2.gz JCHAVIHTRDLBJX-UHFFFAOYSA-N 0 0 421.457 2.922 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807500182 1080697818 /nfs/dbraw/zinc/69/78/18/1080697818.db2.gz OWHRFTIDOFTQAM-DEOSSOPVSA-N 0 0 411.546 2.904 20 10 HFCDRN COc1ccccc1OC[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807570337 1080783187 /nfs/dbraw/zinc/78/31/87/1080783187.db2.gz QYSGZOKINIUPRH-SJORKVTESA-N 0 0 413.518 2.770 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000807581015 1080793070 /nfs/dbraw/zinc/79/30/70/1080793070.db2.gz KRARCIBNNNYJML-SFHVURJKSA-N 0 0 419.547 2.882 20 10 HFCDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790538799 1078045732 /nfs/dbraw/zinc/04/57/32/1078045732.db2.gz LMXUJZGADGFPCS-INIZCTEOSA-N 0 0 417.485 2.612 20 10 HFCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790538800 1078045828 /nfs/dbraw/zinc/04/58/28/1078045828.db2.gz LMXUJZGADGFPCS-MRXNPFEDSA-N 0 0 417.485 2.612 20 10 HFCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 ZINC000793036548 1078053178 /nfs/dbraw/zinc/05/31/78/1078053178.db2.gz PQYLILGKDOLURS-UHFFFAOYSA-N 0 0 424.476 2.856 20 10 HFCDRN CC(=O)N1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000793062725 1078059656 /nfs/dbraw/zinc/05/96/56/1078059656.db2.gz UXTPGFSWNVKBQX-IAGOWNOFSA-N 0 0 424.492 2.815 20 10 HFCDRN COC(=O)c1cn([C@@H]2CCCN(Cc3ccc(N(C)C)cc3C(F)(F)F)C2)nn1 ZINC000793082076 1078063819 /nfs/dbraw/zinc/06/38/19/1078063819.db2.gz JAKBKIGWOCEPEU-OAHLLOKOSA-N 0 0 411.428 2.987 20 10 HFCDRN Cn1cc(C(=O)CCC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000793103665 1078078306 /nfs/dbraw/zinc/07/83/06/1078078306.db2.gz SKBRCMKTPROSPO-UHFFFAOYSA-N 0 0 424.423 2.555 20 10 HFCDRN Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793163316 1078085727 /nfs/dbraw/zinc/08/57/27/1078085727.db2.gz NETJLJLKTRABTB-UHFFFAOYSA-N 0 0 400.429 2.776 20 10 HFCDRN Cc1n[nH]cc1C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000790671978 1078085869 /nfs/dbraw/zinc/08/58/69/1078085869.db2.gz JJRFPROTTKGDSD-UHFFFAOYSA-N 0 0 401.486 2.783 20 10 HFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000793135892 1078087704 /nfs/dbraw/zinc/08/77/04/1078087704.db2.gz TUSOAYOMYCKPSR-UHFFFAOYSA-N 0 0 417.575 2.983 20 10 HFCDRN CCC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c1 ZINC000772828321 1078090883 /nfs/dbraw/zinc/09/08/83/1078090883.db2.gz NQBATLFCAQLNFX-UHFFFAOYSA-N 0 0 415.515 2.782 20 10 HFCDRN Cc1cc(C(=O)COC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)c(C)n1-c1ccccc1 ZINC000790691259 1078097686 /nfs/dbraw/zinc/09/76/86/1078097686.db2.gz UMJVYZWWUIQOIE-XMMPIXPASA-N 0 0 422.481 2.741 20 10 HFCDRN COc1ccc(N2CCC(NC(=O)C(=O)N[C@H](C)Cc3ccccc3C)CC2)cc1 ZINC000793671783 1078247939 /nfs/dbraw/zinc/24/79/39/1078247939.db2.gz HRUBABGTQAQCKG-GOSISDBHSA-N 0 0 409.530 2.836 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccccc2OCC(F)(F)F)cc1 ZINC000793808040 1078306254 /nfs/dbraw/zinc/30/62/54/1078306254.db2.gz CHQQNLCNJMVUMT-UHFFFAOYSA-N 0 0 423.435 2.969 20 10 HFCDRN COCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793799988 1078302264 /nfs/dbraw/zinc/30/22/64/1078302264.db2.gz OKOIRORSZAZTFZ-HNNXBMFYSA-N 0 0 422.522 2.809 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1F ZINC000793780477 1078309914 /nfs/dbraw/zinc/30/99/14/1078309914.db2.gz DQHINVMMNVTZOC-VQTJNVASSA-N 0 0 417.456 2.684 20 10 HFCDRN CN(CCCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000793847013 1078313722 /nfs/dbraw/zinc/31/37/22/1078313722.db2.gz ZUQHJZJQRHKEMP-UHFFFAOYSA-N 0 0 406.530 2.712 20 10 HFCDRN O=C(NCCc1ccc(F)cc1F)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000793823786 1078318037 /nfs/dbraw/zinc/31/80/37/1078318037.db2.gz REKSYAVRJHLXEY-GOSISDBHSA-N 0 0 418.440 2.537 20 10 HFCDRN C[C@H](NC(=O)C(=O)NCCCN(C)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000793829661 1078320112 /nfs/dbraw/zinc/32/01/12/1078320112.db2.gz WMODWTMLYUXSFD-INIZCTEOSA-N 0 0 400.498 2.712 20 10 HFCDRN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000793832264 1078320822 /nfs/dbraw/zinc/32/08/22/1078320822.db2.gz XTSQSVGUOWKOGA-GOSISDBHSA-N 0 0 409.530 2.886 20 10 HFCDRN NC(=O)CCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000772838764 1078330276 /nfs/dbraw/zinc/33/02/76/1078330276.db2.gz DSHYCLDYCUPBKJ-QBFSEMIESA-N 0 0 411.574 2.501 20 10 HFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](C)c1cn(C)c3ccccc13)cc2=O ZINC000772840590 1078331214 /nfs/dbraw/zinc/33/12/14/1078331214.db2.gz NXMRSHAMOLCJOZ-ZDUSSCGKSA-N 0 0 422.441 2.950 20 10 HFCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)[C@H]2C1 ZINC000794239856 1078390503 /nfs/dbraw/zinc/39/05/03/1078390503.db2.gz VTFOSNKPPRWZEE-BWTSREIZSA-N 0 0 417.575 2.969 20 10 HFCDRN C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc2c(c1)OCO2 ZINC000794241656 1078390986 /nfs/dbraw/zinc/39/09/86/1078390986.db2.gz KVMNWHBBHSCTLE-YJBOKZPZSA-N 0 0 409.486 2.537 20 10 HFCDRN COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(O)c1 ZINC000794371252 1078429775 /nfs/dbraw/zinc/42/97/75/1078429775.db2.gz ZXDPTGZBQOSFLZ-CYBMUJFWSA-N 0 0 419.275 2.833 20 10 HFCDRN COc1ccc(CNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c(O)c1 ZINC000794379266 1078431484 /nfs/dbraw/zinc/43/14/84/1078431484.db2.gz KJYWKNHGAJTZAP-UHFFFAOYSA-N 0 0 411.502 2.981 20 10 HFCDRN COc1ccc(CNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)c(O)c1 ZINC000794381012 1078431548 /nfs/dbraw/zinc/43/15/48/1078431548.db2.gz HYKJWKNLOYVXLI-DYESRHJHSA-N 0 0 416.474 2.747 20 10 HFCDRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCc1ccc(OC)cc1O ZINC000794384121 1078432208 /nfs/dbraw/zinc/43/22/08/1078432208.db2.gz WAXBWQAUJGVUKY-GOSISDBHSA-N 0 0 403.454 2.824 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000804678617 1078514884 /nfs/dbraw/zinc/51/48/84/1078514884.db2.gz OXTPUGMDXFATRP-GOSISDBHSA-N 0 0 412.486 2.649 20 10 HFCDRN CC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCC2(CC1)OCCO2 ZINC001129549329 1078540583 /nfs/dbraw/zinc/54/05/83/1078540583.db2.gz IMSTYVLCHNCBHV-UHFFFAOYSA-N 0 0 410.461 2.741 20 10 HFCDRN Cc1cc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c(C)n1-c1cccc(C)c1 ZINC000747210535 1078560853 /nfs/dbraw/zinc/56/08/53/1078560853.db2.gz HHEDRLYCVHYYFM-UHFFFAOYSA-N 0 0 417.513 2.859 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H]3CCc4c3cccc4OC)CC2)cc1 ZINC000804528838 1078567522 /nfs/dbraw/zinc/56/75/22/1078567522.db2.gz OMIHUBDMTZDXNG-OAQYLSRUSA-N 0 0 423.513 2.546 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cc2)C1 ZINC000747209575 1078572286 /nfs/dbraw/zinc/57/22/86/1078572286.db2.gz KXESXNQQCGRUOB-INIZCTEOSA-N 0 0 421.526 2.837 20 10 HFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000804554722 1078582742 /nfs/dbraw/zinc/58/27/42/1078582742.db2.gz ACGVDLQCMIOTOZ-HXOBKFHXSA-N 0 0 408.502 2.995 20 10 HFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804755429 1078586798 /nfs/dbraw/zinc/58/67/98/1078586798.db2.gz PYISSWRKFREDDW-UHFFFAOYSA-N 0 0 419.522 2.504 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000804734082 1078593089 /nfs/dbraw/zinc/59/30/89/1078593089.db2.gz CILCTYSETQUJIQ-CQSZACIVSA-N 0 0 418.291 2.718 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000804735244 1078593740 /nfs/dbraw/zinc/59/37/40/1078593740.db2.gz RQQFSJHUCQSLEG-UHFFFAOYSA-N 0 0 414.259 2.690 20 10 HFCDRN O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1cc(Br)ccc1O ZINC000804734765 1078593848 /nfs/dbraw/zinc/59/38/48/1078593848.db2.gz YXMCNNPDCKIKQU-UHFFFAOYSA-N 0 0 405.248 2.735 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000804736264 1078594324 /nfs/dbraw/zinc/59/43/24/1078594324.db2.gz QCFHVBFCOODFIF-UHFFFAOYSA-N 0 0 414.259 2.741 20 10 HFCDRN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1cc(Br)ccc1O ZINC000804737196 1078595029 /nfs/dbraw/zinc/59/50/29/1078595029.db2.gz LIQJWIQLRHFRSZ-UHFFFAOYSA-N 0 0 417.263 2.949 20 10 HFCDRN O=C(CCc1nc2ccccc2oc1=O)NCc1cc(Br)ccc1O ZINC000804737748 1078595978 /nfs/dbraw/zinc/59/59/78/1078595978.db2.gz WTKKUOZYBVMLEM-UHFFFAOYSA-N 0 0 403.232 2.905 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000804570687 1078611228 /nfs/dbraw/zinc/61/12/28/1078611228.db2.gz AEFSQYIYEVPJJZ-HNNXBMFYSA-N 0 0 409.486 2.527 20 10 HFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(=O)c2ccc(F)cc2o1 ZINC001129661314 1078622484 /nfs/dbraw/zinc/62/24/84/1078622484.db2.gz JPXLDWVDEXVHSA-UHFFFAOYSA-N 0 0 418.371 2.977 20 10 HFCDRN COC(=O)c1cc(C)nc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000804578091 1078632902 /nfs/dbraw/zinc/63/29/02/1078632902.db2.gz KSXDZFSSNXXZBR-HNNXBMFYSA-N 0 0 401.419 2.976 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CCc2cccn2C)cc1F ZINC000804852846 1078720812 /nfs/dbraw/zinc/72/08/12/1078720812.db2.gz HELDBQZJEDZYCT-MRXNPFEDSA-N 0 0 402.514 2.764 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)cc1F ZINC000804853760 1078723274 /nfs/dbraw/zinc/72/32/74/1078723274.db2.gz UKIBCBJLWZQPBG-IBGZPJMESA-N 0 0 417.481 2.790 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000804853432 1078723827 /nfs/dbraw/zinc/72/38/27/1078723827.db2.gz PQDRNLFREVPPJD-LJQANCHMSA-N 0 0 412.509 2.774 20 10 HFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)cc1F ZINC000804853337 1078724307 /nfs/dbraw/zinc/72/43/07/1078724307.db2.gz OOYGHCAISRKMBK-KRWDZBQOSA-N 0 0 417.529 2.578 20 10 HFCDRN COc1ccc(N2CC[C@H](CNC(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001129993338 1078728638 /nfs/dbraw/zinc/72/86/38/1078728638.db2.gz PNRAPCUSVMCGNL-MRXNPFEDSA-N 0 0 403.523 2.895 20 10 HFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC001129991301 1078756655 /nfs/dbraw/zinc/75/66/55/1078756655.db2.gz NFUCJGBPLPLVKZ-VQTJNVASSA-N 0 0 407.514 2.686 20 10 HFCDRN Cc1ccc(C(=O)NCCNC(=O)NCc2cc(Br)ccc2O)cc1F ZINC000804902633 1078757558 /nfs/dbraw/zinc/75/75/58/1078757558.db2.gz MTMODQNXPQRLSV-UHFFFAOYSA-N 0 0 424.270 2.831 20 10 HFCDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804941616 1078766479 /nfs/dbraw/zinc/76/64/79/1078766479.db2.gz XSUNOQNWMSQEHC-UHFFFAOYSA-N 0 0 415.437 2.758 20 10 HFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@]4(CCCOC4)C3)cc2F)C[C@@H](C)O1 ZINC000804970593 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CC[C@H](C)NC(=O)CN1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792778679 1077999235 /nfs/dbraw/zinc/99/92/35/1077999235.db2.gz XNUMSIKOOKRNAM-HNNXBMFYSA-N 0 0 400.489 2.804 20 10 HFCDRN COc1ccc(CNC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c(O)c1 ZINC000792809534 1078001170 /nfs/dbraw/zinc/00/11/70/1078001170.db2.gz BITRKAAVBJJALX-UHFFFAOYSA-N 0 0 401.438 2.644 20 10 HFCDRN COC(=O)c1nn(C)c(C)c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000792868046 1078011837 /nfs/dbraw/zinc/01/18/37/1078011837.db2.gz ZWDJWGBFYPOGDT-XNTDXEJSSA-N 0 0 416.528 2.987 20 10 HFCDRN COC1(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC(C)CC1 ZINC000792893019 1078018285 /nfs/dbraw/zinc/01/82/85/1078018285.db2.gz KAIZWKVOFJYGOQ-YZOUICBYSA-N 0 0 416.566 2.783 20 10 HFCDRN O=C(CN1CC[C@]2(C1)CCCOC2)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000792941132 1078022121 /nfs/dbraw/zinc/02/21/21/1078022121.db2.gz ROUWPRYLQSXLOC-DEOSSOPVSA-N 0 0 404.466 2.903 20 10 HFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1O ZINC000792982789 1078040398 /nfs/dbraw/zinc/04/03/98/1078040398.db2.gz PZOVIKKPYFPFDG-UHFFFAOYSA-N 0 0 401.419 2.861 20 10 HFCDRN COC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccc(F)c(F)c1 ZINC000806275486 1079538777 /nfs/dbraw/zinc/53/87/77/1079538777.db2.gz IPUYOHKXVADDGB-CQSZACIVSA-N 0 0 415.487 2.524 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H](c2ccsc2)O1 ZINC000806276367 1079539812 /nfs/dbraw/zinc/53/98/12/1079539812.db2.gz CLVIEGOJLMXRMD-TZMCWYRMSA-N 0 0 411.574 2.792 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000806277866 1079540349 /nfs/dbraw/zinc/54/03/49/1079540349.db2.gz LJGIMNMKCWTZCO-QGZVFWFLSA-N 0 0 419.572 2.714 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806278927 1079541439 /nfs/dbraw/zinc/54/14/39/1079541439.db2.gz ZQGVLULHZBLOQG-UHFFFAOYSA-N 0 0 406.577 2.856 20 10 HFCDRN COc1cccc(C[C@H]2CCCN2C(=O)C(=O)NCCCSc2nccs2)c1 ZINC000806279726 1079542533 /nfs/dbraw/zinc/54/25/33/1079542533.db2.gz XZBRNRAAJJPTFY-MRXNPFEDSA-N 0 0 419.572 2.984 20 10 HFCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279622 1079542943 /nfs/dbraw/zinc/54/29/43/1079542943.db2.gz UKAFDBLSFCZVEU-UHFFFAOYSA-N 0 0 415.544 2.790 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000806280879 1079543531 /nfs/dbraw/zinc/54/35/31/1079543531.db2.gz XXGAWBMWHYYFQG-AWEZNQCLSA-N 0 0 419.528 2.834 20 10 HFCDRN Cn1ncc2cc(C(=O)N[C@H]3CCCN(c4ccc(OC(F)F)cc4)C3)cnc21 ZINC000747311807 1079543563 /nfs/dbraw/zinc/54/35/63/1079543563.db2.gz XFSKQFLYYVJDFC-HNNXBMFYSA-N 0 0 401.417 2.969 20 10 HFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000806281517 1079544587 /nfs/dbraw/zinc/54/45/87/1079544587.db2.gz AXZFKSZQJHIXKJ-FQEVSTJZSA-N 0 0 417.556 2.790 20 10 HFCDRN CC(C)(C)Oc1ccc(CNC(=O)C(=O)NCCCSc2nccs2)cn1 ZINC000806281347 1079545129 /nfs/dbraw/zinc/54/51/29/1079545129.db2.gz VHLZJTZTGVTXMP-UHFFFAOYSA-N 0 0 408.549 2.630 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000806291391 1079579100 /nfs/dbraw/zinc/57/91/00/1079579100.db2.gz QCXDXQNLEYVZID-RBBKRZOGSA-N 0 0 405.498 2.573 20 10 HFCDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000806439930 1079707500 /nfs/dbraw/zinc/70/75/00/1079707500.db2.gz IKKPMBGIKQKAOR-SFHVURJKSA-N 0 0 406.552 2.660 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC2(C1)CCCOC2 ZINC000806443109 1079712682 /nfs/dbraw/zinc/71/26/82/1079712682.db2.gz MEGBXXGAVAAQHP-UHFFFAOYSA-N 0 0 413.440 2.864 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806491315 1079741314 /nfs/dbraw/zinc/74/13/14/1079741314.db2.gz XFGBQEJWRYIDFG-UHFFFAOYSA-N 0 0 404.268 2.864 20 10 HFCDRN Cc1n[nH]cc1C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000806495444 1079745670 /nfs/dbraw/zinc/74/56/70/1079745670.db2.gz GYQQATUGUILPPQ-IBGZPJMESA-N 0 0 424.549 2.509 20 10 HFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC=C(c4ccco4)C3)cc2)C1 ZINC000806495372 1079745732 /nfs/dbraw/zinc/74/57/32/1079745732.db2.gz FXTVORFQPZOANU-IBGZPJMESA-N 0 0 408.502 2.980 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C2CC2)cc1 ZINC000806597566 1079839639 /nfs/dbraw/zinc/83/96/39/1079839639.db2.gz MEKHQLPGXIMEEE-UHFFFAOYSA-N 0 0 400.910 2.651 20 10 HFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806634915 1079891648 /nfs/dbraw/zinc/89/16/48/1079891648.db2.gz NRYZNGHIEGIGJY-MKBNYLNASA-N 0 0 418.435 2.879 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000806707222 1079937299 /nfs/dbraw/zinc/93/72/99/1079937299.db2.gz QTEXGXVLWZOQHB-OJCRERRGSA-N 0 0 404.507 2.569 20 10 HFCDRN COc1cccc2c1OC[C@H](NC(=O)NCc1cc(Br)ccc1O)C2 ZINC000806723549 1079946513 /nfs/dbraw/zinc/94/65/13/1079946513.db2.gz BUDVTXFJYCDHOA-CQSZACIVSA-N 0 0 407.264 2.966 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000806821468 1080038657 /nfs/dbraw/zinc/03/86/57/1080038657.db2.gz NBYUKTCKQVKMIO-OALUTQOASA-N 0 0 422.529 2.780 20 10 HFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000806886305 1080083884 /nfs/dbraw/zinc/08/38/84/1080083884.db2.gz OAKWKTXGWKZWFG-CYBMUJFWSA-N 0 0 400.479 2.947 20 10 HFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)C2)cc1 ZINC001130826504 1080237363 /nfs/dbraw/zinc/23/73/63/1080237363.db2.gz AZUBYHHPQNJFMK-LEWJYISDSA-N 0 0 421.541 2.871 20 10 HFCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)cc1 ZINC001130827036 1080238333 /nfs/dbraw/zinc/23/83/33/1080238333.db2.gz QNHMKDHVWZZPRI-GOSISDBHSA-N 0 0 416.543 2.815 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCOc1ccccc1Cl ZINC000807097986 1080275181 /nfs/dbraw/zinc/27/51/81/1080275181.db2.gz UJTLQMJHPONDFK-UHFFFAOYSA-N 0 0 403.910 2.868 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000807098969 1080276651 /nfs/dbraw/zinc/27/66/51/1080276651.db2.gz HGBCGHHMUJBPOB-KKSFZXQISA-N 0 0 413.493 2.805 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000807098566 1080277041 /nfs/dbraw/zinc/27/70/41/1080277041.db2.gz YGISKYYDRUBGGX-IBGZPJMESA-N 0 0 408.546 2.710 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000807099534 1080278596 /nfs/dbraw/zinc/27/85/96/1080278596.db2.gz YIHQFJLCHGAIEZ-QGZVFWFLSA-N 0 0 405.502 2.740 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000807099129 1080279531 /nfs/dbraw/zinc/27/95/31/1080279531.db2.gz KUGZGZUJLXWTTL-UHFFFAOYSA-N 0 0 405.502 2.726 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000807102174 1080281349 /nfs/dbraw/zinc/28/13/49/1080281349.db2.gz FCJJSEJELGRNTB-HNNXBMFYSA-N 0 0 419.279 2.545 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000807102881 1080281780 /nfs/dbraw/zinc/28/17/80/1080281780.db2.gz ILBZDXYDEFDKNS-UHFFFAOYSA-N 0 0 408.546 2.936 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000807103261 1080282926 /nfs/dbraw/zinc/28/29/26/1080282926.db2.gz MWKFCDNDFBNGLA-MRXNPFEDSA-N 0 0 421.501 2.647 20 10 HFCDRN CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nccs1 ZINC000807255892 1080414414 /nfs/dbraw/zinc/41/44/14/1080414414.db2.gz RRDPAFHKAVRESQ-JKSUJKDBSA-N 0 0 403.504 2.624 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)N[C@@H](C)Cc3ccc(C)s3)CC2)cc1 ZINC000807277788 1080434332 /nfs/dbraw/zinc/43/43/32/1080434332.db2.gz AZCNEJZKAIZNDI-INIZCTEOSA-N 0 0 415.559 2.851 20 10 HFCDRN COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807281606 1080441760 /nfs/dbraw/zinc/44/17/60/1080441760.db2.gz XYKIZDQBQQBBPU-SFHVURJKSA-N 0 0 400.866 2.916 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000807290479 1080442320 /nfs/dbraw/zinc/44/23/20/1080442320.db2.gz WJNLUVLTOHNBAX-UHFFFAOYSA-N 0 0 410.543 2.526 20 10 HFCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)CCC2 ZINC000807286904 1080450273 /nfs/dbraw/zinc/45/02/73/1080450273.db2.gz FAYRVACEBFMGDF-IBGZPJMESA-N 0 0 410.543 2.980 20 10 HFCDRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807288684 1080454789 /nfs/dbraw/zinc/45/47/89/1080454789.db2.gz ZNNJITZYJCBCMD-UHFFFAOYSA-N 0 0 415.497 2.523 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000807289297 1080456590 /nfs/dbraw/zinc/45/65/90/1080456590.db2.gz PCZOSSZNMFUKTF-QHCPKHFHSA-N 0 0 419.525 2.887 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000807289521 1080456596 /nfs/dbraw/zinc/45/65/96/1080456596.db2.gz XVMDWLZZHYIVOU-HSZRJFAPSA-N 0 0 419.525 2.651 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000807321621 1080472526 /nfs/dbraw/zinc/47/25/26/1080472526.db2.gz YQTUFUNCWDJAJP-HXUWFJFHSA-N 0 0 413.518 2.950 20 10 HFCDRN C[C@H](c1ccsc1)N1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000807291990 1080479336 /nfs/dbraw/zinc/47/93/36/1080479336.db2.gz ROHNDTLVISCAGW-GOSISDBHSA-N 0 0 424.570 2.646 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2cc(Br)ccc2O)c2ccccc2O1 ZINC000807387179 1080582049 /nfs/dbraw/zinc/58/20/49/1080582049.db2.gz BTWXGFMYZLORPD-LLVKDONJSA-N 0 0 405.248 2.585 20 10 HFCDRN Cc1nc2cc(NC(=O)C(=O)NCc3cc(Br)ccc3O)ccc2n1C ZINC000807386618 1080582562 /nfs/dbraw/zinc/58/25/62/1080582562.db2.gz BXGNLEFYBPQECA-UHFFFAOYSA-N 0 0 417.263 2.605 20 10 HFCDRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807386777 1080583332 /nfs/dbraw/zinc/58/33/32/1080583332.db2.gz IUGZWMSOLYODNX-UHFFFAOYSA-N 0 0 406.280 2.784 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cc(F)c(F)cc1F ZINC000807387797 1080584703 /nfs/dbraw/zinc/58/47/03/1080584703.db2.gz XSZDEBNBCYFJFR-UHFFFAOYSA-N 0 0 403.154 2.827 20 10 HFCDRN Cc1cccc([C@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000807470369 1080647413 /nfs/dbraw/zinc/64/74/13/1080647413.db2.gz NYILXZJYXAXJJP-LJQANCHMSA-N 0 0 409.530 2.710 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000807494590 1080688777 /nfs/dbraw/zinc/68/87/77/1080688777.db2.gz GTODXSJZZLOYCQ-UHFFFAOYSA-N 0 0 408.502 2.970 20 10 HFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000807512757 1080722097 /nfs/dbraw/zinc/72/20/97/1080722097.db2.gz HXNIYKIITDGBDD-UHFFFAOYSA-N 0 0 406.229 2.535 20 10 HFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000807527718 1080780857 /nfs/dbraw/zinc/78/08/57/1080780857.db2.gz YGTQQLDKVHEMIX-FQEVSTJZSA-N 0 0 422.595 2.632 20 10 HFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncsc1Br ZINC000807570019 1080783657 /nfs/dbraw/zinc/78/36/57/1080783657.db2.gz UVVMXFKWJKNXRL-UHFFFAOYSA-N 0 0 400.273 2.811 20 10 HFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000807581014 1080793146 /nfs/dbraw/zinc/79/31/46/1080793146.db2.gz KRARCIBNNNYJML-GOSISDBHSA-N 0 0 419.547 2.882 20 10 HFCDRN O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000792995131 1078043758 /nfs/dbraw/zinc/04/37/58/1078043758.db2.gz HBJZNXRVOFRSFM-GFCCVEGCSA-N 0 0 408.380 2.546 20 10 HFCDRN COc1ccc2c(c1NCC(=O)NCc1ccc(N3CCOCC3)c(F)c1)CCC2 ZINC000790528966 1078051516 /nfs/dbraw/zinc/05/15/16/1078051516.db2.gz ROAZOSNELJCQQX-UHFFFAOYSA-N 0 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HFCDRN CCSCC[C@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000789855999 1077840443 /nfs/dbraw/zinc/84/04/43/1077840443.db2.gz OIQMYULLXSXMSP-INIZCTEOSA-N 0 0 409.621 2.846 20 10 HFCDRN CCS[C@H]1CCCCN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000789856938 1077840735 /nfs/dbraw/zinc/84/07/35/1077840735.db2.gz YRCICOHJKSUGHU-IBGZPJMESA-N 0 0 421.632 2.990 20 10 HFCDRN Cc1cc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)on1 ZINC000789859621 1077840854 /nfs/dbraw/zinc/84/08/54/1077840854.db2.gz BTSWQXUGMPXOOE-GOSISDBHSA-N 0 0 414.531 2.516 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@H]1CSc2ccccc21 ZINC000789859660 1077841563 /nfs/dbraw/zinc/84/15/63/1077841563.db2.gz CYFZKRCYYXHFHC-SFHVURJKSA-N 0 0 413.568 2.819 20 10 HFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000789859659 1077841637 /nfs/dbraw/zinc/84/16/37/1077841637.db2.gz CYFZKRCYYXHFHC-GOSISDBHSA-N 0 0 413.568 2.819 20 10 HFCDRN CC(C)(C)[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000789860852 1077841947 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HFCDRN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc[nH]1 ZINC000806521333 1079798954 /nfs/dbraw/zinc/79/89/54/1079798954.db2.gz KWANGINHRHOUNU-ZIAGYGMSSA-N 0 0 406.433 2.579 20 10 HFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)c1 ZINC000806637266 1079893557 /nfs/dbraw/zinc/89/35/57/1079893557.db2.gz AQIIHABTCACWQR-LBPRGKRZSA-N 0 0 408.476 2.837 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCc3ccn(C)c3)cc2Cl)C1 ZINC000806639570 1079895932 /nfs/dbraw/zinc/89/59/32/1079895932.db2.gz TYRKLMYRDRBXTR-HNNXBMFYSA-N 0 0 402.926 2.847 20 10 HFCDRN CCNC(=O)C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000806683379 1079910631 /nfs/dbraw/zinc/91/06/31/1079910631.db2.gz HRVSCOKMTQDJES-LJQANCHMSA-N 0 0 402.539 2.754 20 10 HFCDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000806683226 1079911000 /nfs/dbraw/zinc/91/10/00/1079911000.db2.gz CPNDHQFCWGKJIV-SFHVURJKSA-N 0 0 404.511 2.584 20 10 HFCDRN COc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 ZINC000806738150 1079930255 /nfs/dbraw/zinc/93/02/55/1079930255.db2.gz VNJNDXCOVQKHAZ-HXUWFJFHSA-N 0 0 412.486 2.533 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000806776026 1079994845 /nfs/dbraw/zinc/99/48/45/1079994845.db2.gz DJWCCDPWPUZHSV-OAHLLOKOSA-N 0 0 404.264 2.759 20 10 HFCDRN COCc1csc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000806847935 1080033437 /nfs/dbraw/zinc/03/34/37/1080033437.db2.gz ZNXYTNYQVFAGFS-UHFFFAOYSA-N 0 0 402.520 2.877 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806822187 1080039623 /nfs/dbraw/zinc/03/96/23/1080039623.db2.gz XQQNIZRSOFYVKX-UYAOXDASSA-N 0 0 418.538 2.640 20 10 HFCDRN CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1F ZINC000806854015 1080059390 /nfs/dbraw/zinc/05/93/90/1080059390.db2.gz ROIIHXHAWKQTJU-UHFFFAOYSA-N 0 0 415.490 2.836 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3nc(C4CC4)cs3)CC2)cc1 ZINC000806857499 1080061304 /nfs/dbraw/zinc/06/13/04/1080061304.db2.gz RJVREINGSITHKN-UHFFFAOYSA-N 0 0 400.504 2.707 20 10 HFCDRN CC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1F ZINC000806867684 1080067950 /nfs/dbraw/zinc/06/79/50/1080067950.db2.gz WROSZODNJDWQKA-AWEZNQCLSA-N 0 0 413.449 2.681 20 10 HFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)cc1F ZINC000806879022 1080078012 /nfs/dbraw/zinc/07/80/12/1080078012.db2.gz ROJDETVQBCQBEB-UHFFFAOYSA-N 0 0 413.449 2.890 20 10 HFCDRN COc1cccc(CNC(=O)C(=O)Nc2nc(-c3cc(C)oc3C)cs2)c1O ZINC000806907248 1080114071 /nfs/dbraw/zinc/11/40/71/1080114071.db2.gz IJTVLDBZINDOLC-UHFFFAOYSA-N 0 0 401.444 2.989 20 10 HFCDRN C[C@H](NC(=O)C(=O)Nc1nc(C2CCOCC2)cs1)c1ccc(N(C)C)cc1 ZINC000806988462 1080168029 /nfs/dbraw/zinc/16/80/29/1080168029.db2.gz VVVPJAYARNRMCV-ZDUSSCGKSA-N 0 0 402.520 2.919 20 10 HFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000807003656 1080180972 /nfs/dbraw/zinc/18/09/72/1080180972.db2.gz WQPMORFUWHYZHI-NSHDSACASA-N 0 0 424.217 2.507 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)Nc1ccnc(OC)c1 ZINC000807022473 1080217481 /nfs/dbraw/zinc/21/74/81/1080217481.db2.gz HFSAUOTTWNJBJN-UHFFFAOYSA-N 0 0 408.252 2.546 20 10 HFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000807094903 1080273357 /nfs/dbraw/zinc/27/33/57/1080273357.db2.gz DZOKXHNJLIYXGZ-UHFFFAOYSA-N 0 0 403.910 2.868 20 10 HFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000807157470 1080315503 /nfs/dbraw/zinc/31/55/03/1080315503.db2.gz ZFSVCXYURLTNNN-UHFFFAOYSA-N 0 0 401.410 2.923 20 10 HFCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCc3ccc(C(F)F)cc3)CC2)cc1 ZINC000807174401 1080329078 /nfs/dbraw/zinc/32/90/78/1080329078.db2.gz JNNYUNYSFMUSIQ-UHFFFAOYSA-N 0 0 417.456 2.988 20 10 HFCDRN C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000807210241 1080360629 /nfs/dbraw/zinc/36/06/29/1080360629.db2.gz WWHZMIORJDWSMO-IRXDYDNUSA-N 0 0 408.974 2.784 20 10 HFCDRN CCCC[C@@H](COC)NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000807239953 1080393831 /nfs/dbraw/zinc/39/38/31/1080393831.db2.gz FYXCPWQDWVCEAB-HNNXBMFYSA-N 0 0 415.328 2.825 20 10 HFCDRN Cc1ccc([C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000807242237 1080399002 /nfs/dbraw/zinc/39/90/02/1080399002.db2.gz HAJXVPANHVHFEL-IBGZPJMESA-N 0 0 409.530 2.710 20 10 HFCDRN CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000807288202 1080451479 /nfs/dbraw/zinc/45/14/79/1080451479.db2.gz RQCCNXGNFOBSHG-HSZRJFAPSA-N 0 0 418.541 2.806 20 10 HFCDRN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)ccn1 ZINC000807290518 1080453347 /nfs/dbraw/zinc/45/33/47/1080453347.db2.gz XMCUROREEGZQFB-QGZVFWFLSA-N 0 0 408.502 2.568 20 10 HFCDRN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289905 1080455343 /nfs/dbraw/zinc/45/53/43/1080455343.db2.gz MMAHMCCNTNJYME-UHFFFAOYSA-N 0 0 415.497 2.728 20 10 HFCDRN C[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC000747387101 1080458894 /nfs/dbraw/zinc/45/88/94/1080458894.db2.gz DPZZCSJENBTZAI-GOEBONIOSA-N 0 0 415.456 2.844 20 10 HFCDRN COCc1ccc([C@H]2CCCN2C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)o1 ZINC000807290305 1080478754 /nfs/dbraw/zinc/47/87/54/1080478754.db2.gz TUZGOFBYTDGAKS-HXUWFJFHSA-N 0 0 409.486 2.782 20 10 HFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000807291408 1080480335 /nfs/dbraw/zinc/48/03/35/1080480335.db2.gz JCAHQULMZXIYGC-UZLBHIALSA-N 0 0 411.527 2.729 20 10 HFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](O)Cc1ccccc1 ZINC000747390690 1080480362 /nfs/dbraw/zinc/48/03/62/1080480362.db2.gz VTNSDLROSMDZRL-KSFYIVLOSA-N 0 0 415.509 2.578 20 10 HFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000807292809 1080481346 /nfs/dbraw/zinc/48/13/46/1080481346.db2.gz ZGSDQKSJHTWGDB-UHFFFAOYSA-N 0 0 419.525 2.626 20 10 HFCDRN COc1cc(F)c(NC(=O)C(=O)NCc2cc(Br)ccc2O)cc1F ZINC000807385032 1080580057 /nfs/dbraw/zinc/58/00/57/1080580057.db2.gz AVRRLKIYMCQAHR-UHFFFAOYSA-N 0 0 415.190 2.696 20 10 HFCDRN COCCc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807386725 1080583308 /nfs/dbraw/zinc/58/33/08/1080583308.db2.gz GIJASJPDOCLMDY-UHFFFAOYSA-N 0 0 407.264 2.599 20 10 HFCDRN Cc1cc(NC(=O)C(=O)NCc2cc(Br)ccc2O)ccc1N(C)C ZINC000807387703 1080584294 /nfs/dbraw/zinc/58/42/94/1080584294.db2.gz SACUGTHAKYFITR-UHFFFAOYSA-N 0 0 406.280 2.784 20 10 HFCDRN COC(=O)Nc1cccc(NC(=O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000807387737 1080584367 /nfs/dbraw/zinc/58/43/67/1080584367.db2.gz UOTRPDREFHGHAM-UHFFFAOYSA-N 0 0 422.235 2.588 20 10 HFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807459030 1080636814 /nfs/dbraw/zinc/63/68/14/1080636814.db2.gz OQPLSEJOXLSCCU-LJQANCHMSA-N 0 0 401.555 2.964 20 10 HFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)C2CC2)cc1 ZINC000807502593 1080702552 /nfs/dbraw/zinc/70/25/52/1080702552.db2.gz PYQXHLDFUBTOCB-DEOSSOPVSA-N 0 0 409.530 2.658 20 10 HFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1 ZINC000807510664 1080717989 /nfs/dbraw/zinc/71/79/89/1080717989.db2.gz MLVADOQMJSNLOW-UHFFFAOYSA-N 0 0 409.530 2.658 20 10 HFCDRN COc1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(O)c1 ZINC000807573758 1080786998 /nfs/dbraw/zinc/78/69/98/1080786998.db2.gz DKNXFIBYSYUOLO-CYBMUJFWSA-N 0 0 403.401 2.534 20 10 HFCDRN Cc1cc(CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000807578816 1080791017 /nfs/dbraw/zinc/79/10/17/1080791017.db2.gz HKYSRVOPOFJDLE-UHFFFAOYSA-N 0 0 415.921 2.760 20 10 HFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000807581161 1080793089 /nfs/dbraw/zinc/79/30/89/1080793089.db2.gz QDMGAZHIWWLOTA-GFCCVEGCSA-N 0 0 419.341 2.511 20 10 HFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCn3cccc3)cc2Cl)C1 ZINC000807584229 1080795616 /nfs/dbraw/zinc/79/56/16/1080795616.db2.gz WKDIQQPORUUYRJ-INIZCTEOSA-N 0 0 402.926 2.810 20 10 HFCDRN