smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](NC(=O)N[C@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1cccc(Br)c1 ZINC000797726039 939189239 /nfs/dbraw/zinc/18/92/39/939189239.db2.gz YRQOWFXLHNEUQA-SUMWQHHRSA-N -1 1 407.268 2.849 20 0 HFADMM COc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000538468055 939273668 /nfs/dbraw/zinc/27/36/68/939273668.db2.gz QVWIQOYCYUTIIT-UHFFFAOYSA-N -1 1 418.471 2.542 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000746935376 1078077916 /nfs/dbraw/zinc/07/79/16/1078077916.db2.gz SUIRVACYLBYZGF-LBPRGKRZSA-N -1 1 418.400 2.833 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000746935077 1078078862 /nfs/dbraw/zinc/07/88/62/1078078862.db2.gz JMDZTFGDJVQUDO-AEFFLSMTSA-N -1 1 414.506 2.709 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000746935123 1078079074 /nfs/dbraw/zinc/07/90/74/1078079074.db2.gz LGPFOETUYVQYIV-WMLDXEAASA-N -1 1 424.501 2.836 20 0 HFADMM CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000790665800 1078083674 /nfs/dbraw/zinc/08/36/74/1078083674.db2.gz NPQOWVSRBOFXDC-CQSZACIVSA-N -1 1 419.341 2.546 20 0 HFADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3ccc(-c4nnc[nH]4)cc3)cc(Cl)c2O1 ZINC000793159252 1078084815 /nfs/dbraw/zinc/08/48/15/1078084815.db2.gz WNKBRTHDZHTXFX-SNVBAGLBSA-N -1 1 418.862 2.567 20 0 HFADMM O=C(CC1OCCO1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000793135006 1078087733 /nfs/dbraw/zinc/08/77/33/1078087733.db2.gz ZVAJEFUFTVTESP-UHFFFAOYSA-N -1 1 414.842 2.981 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc(Br)c1F ZINC000793281844 1078126947 /nfs/dbraw/zinc/12/69/47/1078126947.db2.gz NOUJRVFHSKMXRP-UHFFFAOYSA-N -1 1 412.240 2.663 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)c1 ZINC000793363361 1078148682 /nfs/dbraw/zinc/14/86/82/1078148682.db2.gz JJXCZOCVNBIEIW-UHFFFAOYSA-N -1 1 422.459 2.989 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000793368062 1078149928 /nfs/dbraw/zinc/14/99/28/1078149928.db2.gz QAEINHHJOZBOBE-UHFFFAOYSA-N -1 1 417.439 2.917 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)c(C)cc1F ZINC000793385032 1078162100 /nfs/dbraw/zinc/16/21/00/1078162100.db2.gz NNAPMAIGHWRSRA-UHFFFAOYSA-N -1 1 404.423 2.815 20 0 HFADMM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000793449448 1078174893 /nfs/dbraw/zinc/17/48/93/1078174893.db2.gz CEJYOWVGDJWQRD-UHFFFAOYSA-N -1 1 422.459 2.989 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000793450828 1078174931 /nfs/dbraw/zinc/17/49/31/1078174931.db2.gz BBKJCFZRDMNJAT-UHFFFAOYSA-N -1 1 415.265 2.977 20 0 HFADMM CNC(=O)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000793451850 1078175189 /nfs/dbraw/zinc/17/51/89/1078175189.db2.gz JPFLIZHQMKUQBU-UHFFFAOYSA-N -1 1 414.823 2.566 20 0 HFADMM CNC(=O)Oc1cccc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000793463144 1078179693 /nfs/dbraw/zinc/17/96/93/1078179693.db2.gz CEJNZCZNABPPFN-UHFFFAOYSA-N -1 1 414.823 2.566 20 0 HFADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(F)(F)Cc1ccccc1 ZINC000793736132 1078284989 /nfs/dbraw/zinc/28/49/89/1078284989.db2.gz NHUFPXBDGCHZRP-UHFFFAOYSA-N -1 1 410.442 2.993 20 0 HFADMM COCN1C(=O)CCc2cc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)ccc21 ZINC000793913831 1078336867 /nfs/dbraw/zinc/33/68/67/1078336867.db2.gz LSJDBGRHBBYPFS-UHFFFAOYSA-N -1 1 404.426 2.776 20 0 HFADMM CCOC(=O)[C@@H](C)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000747162838 1078353330 /nfs/dbraw/zinc/35/33/30/1078353330.db2.gz IMMMQIBKRKUNSC-AWEZNQCLSA-N -1 1 421.471 2.852 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3C)nc2)c(C)cc1F ZINC000794018390 1078362037 /nfs/dbraw/zinc/36/20/37/1078362037.db2.gz OSXXEARPIORZDR-UHFFFAOYSA-N -1 1 404.423 2.611 20 0 HFADMM C[C@@]1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCOC1=O ZINC000794099102 1078372034 /nfs/dbraw/zinc/37/20/34/1078372034.db2.gz MWBKZEVAVXMPTA-GOSISDBHSA-N -1 1 408.863 2.576 20 0 HFADMM C[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000794319801 1078412388 /nfs/dbraw/zinc/41/23/88/1078412388.db2.gz ZAHSGCFUNVELRE-DIFFPNOSSA-N -1 1 418.368 2.523 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)o1 ZINC000804413541 1078460601 /nfs/dbraw/zinc/46/06/01/1078460601.db2.gz TVEVLVLTYJDSJM-GOSISDBHSA-N -1 1 414.483 2.564 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCC(N)=O)c2)cc1C ZINC000804743723 1078578539 /nfs/dbraw/zinc/57/85/39/1078578539.db2.gz LWSCDWCRVSORNU-UHFFFAOYSA-N -1 1 423.922 2.705 20 0 HFADMM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001129639097 1078616866 /nfs/dbraw/zinc/61/68/66/1078616866.db2.gz JDPAULLKXITSEU-UHFFFAOYSA-N -1 1 406.446 2.539 20 0 HFADMM Cc1nc([C@@H](C)NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)n[nH]1 ZINC000804815079 1078658202 /nfs/dbraw/zinc/65/82/02/1078658202.db2.gz NVIGOXKOFSTGPM-GFCCVEGCSA-N -1 1 400.508 2.550 20 0 HFADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804843255 1078682446 /nfs/dbraw/zinc/68/24/46/1078682446.db2.gz HSQNMFMKRCPQBN-XUJVJEKNSA-N -1 1 405.524 2.782 20 0 HFADMM COc1cc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000804635519 1078716299 /nfs/dbraw/zinc/71/62/99/1078716299.db2.gz MKBLWGQLNJDXCT-KBPBESRZSA-N -1 1 412.870 2.564 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000747222719 1078759268 /nfs/dbraw/zinc/75/92/68/1078759268.db2.gz POMIEFVWYYTCGT-UHFFFAOYSA-N -1 1 402.524 2.849 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2F)c(Br)n1C ZINC000804967474 1078804067 /nfs/dbraw/zinc/80/40/67/1078804067.db2.gz UNXPVXXAJDYABY-MRVPVSSYSA-N -1 1 424.267 2.515 20 0 HFADMM CO[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccc(Cl)cc1 ZINC000805015490 1078826092 /nfs/dbraw/zinc/82/60/92/1078826092.db2.gz KGYVANAIHVMIEX-LBPRGKRZSA-N -1 1 422.732 2.810 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(Br)n1C ZINC000804983143 1078820761 /nfs/dbraw/zinc/82/07/61/1078820761.db2.gz KEIXCFFRKMZHPN-KGLIPLIRSA-N -1 1 414.325 2.690 20 0 HFADMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805016960 1078826928 /nfs/dbraw/zinc/82/69/28/1078826928.db2.gz YEOFRKBDHACBOH-LLVKDONJSA-N -1 1 416.341 2.972 20 0 HFADMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1nccs1 ZINC000805008167 1078853288 /nfs/dbraw/zinc/85/32/88/1078853288.db2.gz CPBOGHWQKMOFDV-SECBINFHSA-N -1 1 414.452 2.866 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c(Br)n1C ZINC000805012485 1078856433 /nfs/dbraw/zinc/85/64/33/1078856433.db2.gz KHENOKNQJZOIGX-UHFFFAOYSA-N -1 1 414.325 2.758 20 0 HFADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccc(OC)c(Cl)c1 ZINC000805065772 1078875924 /nfs/dbraw/zinc/87/59/24/1078875924.db2.gz APJLMMHWXLVUTM-OAHLLOKOSA-N -1 1 419.286 2.898 20 0 HFADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)[C@H](C)[C@@H]1OC ZINC000805053322 1078866761 /nfs/dbraw/zinc/86/67/61/1078866761.db2.gz OHJWSEOLXCOSSK-WCQGTBRESA-N -1 1 408.362 2.609 20 0 HFADMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805125284 1078924610 /nfs/dbraw/zinc/92/46/10/1078924610.db2.gz BUXIIBQTYBHUCS-JKOKRWQUSA-N -1 1 424.489 2.547 20 0 HFADMM CC[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1c(C)nn(C)c1C ZINC000805161259 1078920814 /nfs/dbraw/zinc/92/08/14/1078920814.db2.gz OIYFEQDWJJMZBT-BWPSIRRCSA-N -1 1 417.476 2.975 20 0 HFADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CCC2(F)CCC2)c1 ZINC000805124083 1078921978 /nfs/dbraw/zinc/92/19/78/1078921978.db2.gz WKXNSGMJLAZVBW-UHFFFAOYSA-N -1 1 412.252 2.935 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1nccc2cccnc21)C(F)(F)F ZINC001130088176 1078924910 /nfs/dbraw/zinc/92/49/10/1078924910.db2.gz XFBMKKIELCJGLW-CQSZACIVSA-N -1 1 400.360 2.880 20 0 HFADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c1F ZINC000805137314 1078935203 /nfs/dbraw/zinc/93/52/03/1078935203.db2.gz UVMASQRHKOAINL-CYBMUJFWSA-N -1 1 419.833 2.807 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805152101 1078946945 /nfs/dbraw/zinc/94/69/45/1078946945.db2.gz JKHPSYHEPLXBRV-XDSHMYFISA-N -1 1 405.461 2.677 20 0 HFADMM COC[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000805252074 1078985745 /nfs/dbraw/zinc/98/57/45/1078985745.db2.gz WBPWAMMHIHKMDT-SDADXPQNSA-N -1 1 401.429 2.861 20 0 HFADMM Cc1nc(CCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)sc1C ZINC000805208849 1078987430 /nfs/dbraw/zinc/98/74/30/1078987430.db2.gz FMHFCBOFKKCEFY-CHIMOYNISA-N -1 1 406.474 2.789 20 0 HFADMM CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000805297372 1078993715 /nfs/dbraw/zinc/99/37/15/1078993715.db2.gz KIDIJPMUFWYDPD-CQSZACIVSA-N -1 1 405.524 2.928 20 0 HFADMM COC(=O)C1(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCCCC1 ZINC000805279463 1079006657 /nfs/dbraw/zinc/00/66/57/1079006657.db2.gz KQNHLEXZUMRUCF-IHRRRGAJSA-N -1 1 421.460 2.597 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3nncn3C)c2)cc1 ZINC000805337021 1079024742 /nfs/dbraw/zinc/02/47/42/1079024742.db2.gz HHZUFGKJXLSKPV-CYBMUJFWSA-N -1 1 416.459 2.543 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@H](C)c1nncn1C ZINC000805539768 1079130109 /nfs/dbraw/zinc/13/01/09/1079130109.db2.gz BDJUJVYYJZTSCH-CYBMUJFWSA-N -1 1 418.450 2.981 20 0 HFADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610287 1079174163 /nfs/dbraw/zinc/17/41/63/1079174163.db2.gz YWCJGVXRNASRSJ-BDJLRTHQSA-N -1 1 413.821 2.974 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3ccnn3C)cc2)cc1 ZINC000747265525 1079222385 /nfs/dbraw/zinc/22/23/85/1079222385.db2.gz LZWRUKWVAMPPNE-UHFFFAOYSA-N -1 1 415.471 2.977 20 0 HFADMM C[C@H](NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc(F)cc1 ZINC000805788943 1079256562 /nfs/dbraw/zinc/25/65/62/1079256562.db2.gz RXHYKBWHIHVSJV-MRHIQRDNSA-N -1 1 403.420 2.780 20 0 HFADMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020220 1079394836 /nfs/dbraw/zinc/39/48/36/1079394836.db2.gz QUEOSVSJOHXXQW-CYBMUJFWSA-N -1 1 409.490 2.867 20 0 HFADMM Cc1nn(C)c2ncc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)cc12 ZINC000806016047 1079390876 /nfs/dbraw/zinc/39/08/76/1079390876.db2.gz JAZSBOPQALVAMR-UHFFFAOYSA-N -1 1 404.430 2.542 20 0 HFADMM COc1cc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc2c1OCCO2 ZINC000806019991 1079393353 /nfs/dbraw/zinc/39/33/53/1079393353.db2.gz PGWVFYFFSZEILY-UHFFFAOYSA-N -1 1 423.425 2.732 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000806019708 1079393501 /nfs/dbraw/zinc/39/35/01/1079393501.db2.gz CZFSPZNSOUKGER-CYBMUJFWSA-N -1 1 420.425 2.672 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@@H]3C)cc2)cc1C ZINC000806077855 1079415913 /nfs/dbraw/zinc/41/59/13/1079415913.db2.gz FAVLVPVQEVLTJT-DNVCBOLYSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)cc2)cc1 ZINC000806080727 1079416566 /nfs/dbraw/zinc/41/65/66/1079416566.db2.gz IFULJMZWXHWTHG-KBXCAEBGSA-N -1 1 402.472 2.572 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806205859 1079492297 /nfs/dbraw/zinc/49/22/97/1079492297.db2.gz IUCUKDAHXYDWRJ-YDHLFZDLSA-N -1 1 413.444 2.991 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC4(C3)OCCO4)c2)cc1 ZINC000772701740 1076853521 /nfs/dbraw/zinc/85/35/21/1076853521.db2.gz TUTSICKCFJNUTH-UHFFFAOYSA-N -1 1 416.499 2.775 20 0 HFADMM COc1ccc(OC)c(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000787953707 1077006896 /nfs/dbraw/zinc/00/68/96/1077006896.db2.gz BKUUFAFCDZEKSY-UHFFFAOYSA-N -1 1 415.377 2.530 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)cc1C ZINC000788122989 1077059933 /nfs/dbraw/zinc/05/99/33/1077059933.db2.gz PCEUCFLCDGDDOK-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NOC[C@@H]3CCOC3)ccc2C)cc1 ZINC000788124244 1077060226 /nfs/dbraw/zinc/06/02/26/1077060226.db2.gz WLQTWGGZQFHYMF-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM O=C(COC(=O)c1cccnc1C(F)(F)F)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000788134922 1077062104 /nfs/dbraw/zinc/06/21/04/1077062104.db2.gz AKISNQJSZPVJKR-UHFFFAOYSA-N -1 1 418.274 2.815 20 0 HFADMM O=C1CN(c2ccc([N-]S(=O)(=O)c3cnc4ccccc4c3)cc2Cl)CCN1 ZINC000788139688 1077063181 /nfs/dbraw/zinc/06/31/81/1077063181.db2.gz NQGPVDQZGSHTFG-UHFFFAOYSA-N -1 1 416.890 2.625 20 0 HFADMM O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788150997 1077069192 /nfs/dbraw/zinc/06/91/92/1077069192.db2.gz YUOWGUCAIVHEHA-IBGZPJMESA-N -1 1 417.498 2.983 20 0 HFADMM O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1nc(Cl)ccc1[O-] ZINC000788158122 1077071181 /nfs/dbraw/zinc/07/11/81/1077071181.db2.gz COPWKBVBKSJUFC-UHFFFAOYSA-N -1 1 409.627 2.552 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=S)NCc3cccs3)c2)n1 ZINC000788333844 1077105403 /nfs/dbraw/zinc/10/54/03/1077105403.db2.gz SPZMZICJDDQYRC-UHFFFAOYSA-N -1 1 401.517 2.874 20 0 HFADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1C ZINC000788488389 1077177997 /nfs/dbraw/zinc/17/79/97/1077177997.db2.gz IHBRQERMOXZPNU-UHFFFAOYSA-N -1 1 418.475 2.894 20 0 HFADMM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc4ncccc4c3)c2)C1=O ZINC000788498160 1077182173 /nfs/dbraw/zinc/18/21/73/1077182173.db2.gz ISKKUEXWFZJXIG-UHFFFAOYSA-N -1 1 410.455 2.870 20 0 HFADMM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)c2)C1=O ZINC000788499124 1077182640 /nfs/dbraw/zinc/18/26/40/1077182640.db2.gz RKNOKWYXUDAZJQ-UHFFFAOYSA-N -1 1 415.471 2.647 20 0 HFADMM O=C(NCC1OCCCO1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000788609648 1077206889 /nfs/dbraw/zinc/20/68/89/1077206889.db2.gz CJEJGHKMCUNXBA-UHFFFAOYSA-N -1 1 410.879 2.634 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c1 ZINC000788746763 1077288780 /nfs/dbraw/zinc/28/87/80/1077288780.db2.gz FMJOILZHFXJECA-UHFFFAOYSA-N -1 1 422.478 2.948 20 0 HFADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1Cl ZINC000788934094 1077368611 /nfs/dbraw/zinc/36/86/11/1077368611.db2.gz GCXIKTCFLIKSKZ-SNVBAGLBSA-N -1 1 409.726 2.938 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)c3ccccc3)ccnc1-2 ZINC000791285221 1077370104 /nfs/dbraw/zinc/37/01/04/1077370104.db2.gz GFIVAOPEZOKTQC-DBVUQKKJSA-N -1 1 403.486 2.754 20 0 HFADMM Nc1c(Cl)cc(F)cc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000791482071 1077422085 /nfs/dbraw/zinc/42/20/85/1077422085.db2.gz KDGJCMKEZQQLTE-UHFFFAOYSA-N -1 1 416.739 2.776 20 0 HFADMM O=C([N-]S(=O)(=O)Cc1ccccc1Br)c1[nH]nc2c1CCCCC2 ZINC000789405994 1077562399 /nfs/dbraw/zinc/56/23/99/1077562399.db2.gz SWMOCZGJOSEHOD-UHFFFAOYSA-N -1 1 412.309 2.701 20 0 HFADMM O=C(COC(=O)c1c(F)ccc(F)c1F)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000772738422 1077582313 /nfs/dbraw/zinc/58/23/13/1077582313.db2.gz ZELSAIXPPOQFSP-UHFFFAOYSA-N -1 1 403.259 2.819 20 0 HFADMM Cc1cccc2c1OCC[C@@H]2OC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000789507565 1077601395 /nfs/dbraw/zinc/60/13/95/1077601395.db2.gz RJJBNEJNWWZBCD-SFHVURJKSA-N -1 1 413.474 2.635 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCC[C@@H]1CNC(=O)C1 ZINC000791997917 1077642153 /nfs/dbraw/zinc/64/21/53/1077642153.db2.gz QYSMISVKVOFIKU-AWEZNQCLSA-N -1 1 420.462 2.618 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC[C@@H]3CNC(=O)C3)ccc2C)c1 ZINC000792012363 1077649567 /nfs/dbraw/zinc/64/95/67/1077649567.db2.gz UZOCWDMXDZWKSN-INIZCTEOSA-N -1 1 416.499 2.787 20 0 HFADMM C[C@H](O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000792203150 1077744682 /nfs/dbraw/zinc/74/46/82/1077744682.db2.gz NLVMLSSMPDMXQB-NSHDSACASA-N -1 1 414.277 2.788 20 0 HFADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(N(C)C)c3C)cc2CC1 ZINC000789738799 1077774040 /nfs/dbraw/zinc/77/40/40/1077774040.db2.gz VVGRXNZKCBCLPV-UHFFFAOYSA-N -1 1 401.532 2.809 20 0 HFADMM CCC[C@H](NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2)c1nn[n-]n1 ZINC000789808032 1077802758 /nfs/dbraw/zinc/80/27/58/1077802758.db2.gz ZDSHDNUZYIIELU-KRWDZBQOSA-N -1 1 414.510 2.807 20 0 HFADMM CC(C)[C@H](C(=O)Nc1nc(Br)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000789923545 1077849027 /nfs/dbraw/zinc/84/90/27/1077849027.db2.gz ZISXQIURTWOEDB-CQSZACIVSA-N -1 1 418.247 2.809 20 0 HFADMM CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000790043325 1077909417 /nfs/dbraw/zinc/90/94/17/1077909417.db2.gz RBPPNUSOTARIPI-RUDMXATFSA-N -1 1 412.265 2.573 20 0 HFADMM O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc(Cl)ccc1[O-] ZINC000790045950 1077910177 /nfs/dbraw/zinc/91/01/77/1077910177.db2.gz BPGWOZCBKAXXFU-UHFFFAOYSA-N -1 1 409.895 2.796 20 0 HFADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)C1=O ZINC000790083660 1077926397 /nfs/dbraw/zinc/92/63/97/1077926397.db2.gz RHENPGIRXAXUMO-IBGZPJMESA-N -1 1 403.435 2.851 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000790046960 1077928184 /nfs/dbraw/zinc/92/81/84/1077928184.db2.gz SITSBVGBURMSSK-UHFFFAOYSA-N -1 1 407.835 2.764 20 0 HFADMM CS(=O)(=O)c1cc(C(=O)Nc2nc(Br)ccc2[O-])ccc1Cl ZINC000790047175 1077928195 /nfs/dbraw/zinc/92/81/95/1077928195.db2.gz ZFMFQFDUSFTRBD-UHFFFAOYSA-N -1 1 405.657 2.859 20 0 HFADMM O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1nc(Cl)ccc1[O-] ZINC000790052570 1077932142 /nfs/dbraw/zinc/93/21/42/1077932142.db2.gz YZNFDWIZDFJCMT-NSHDSACASA-N -1 1 409.229 2.938 20 0 HFADMM CCOC(=O)C1=C(NC(=O)c2cnc(OCC3CC3)cn2)[N-]c2ccccc2N=C1C ZINC000790110916 1077940890 /nfs/dbraw/zinc/94/08/90/1077940890.db2.gz CPNQHVVZZDGUPG-UHFFFAOYSA-N -1 1 421.457 2.988 20 0 HFADMM CSc1nc(CNC(=O)c2ccccc2CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001143620429 1077961276 /nfs/dbraw/zinc/96/12/76/1077961276.db2.gz SNPARMAWGQRNKP-UHFFFAOYSA-N -1 1 404.492 2.859 20 0 HFADMM CCOC(=O)NCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000792776297 1077998653 /nfs/dbraw/zinc/99/86/53/1077998653.db2.gz PFTMIQAMXJEDAI-UHFFFAOYSA-N -1 1 411.867 2.825 20 0 HFADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)c1S(=O)(=O)NC1CC1 ZINC000792832617 1078007646 /nfs/dbraw/zinc/00/76/46/1078007646.db2.gz OFWODQLTGBTQIB-UHFFFAOYSA-N -1 1 418.519 2.924 20 0 HFADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc(OC)c1 ZINC000790382257 1078009931 /nfs/dbraw/zinc/00/99/31/1078009931.db2.gz QTPYLKACDAWJIO-UHFFFAOYSA-N -1 1 401.824 2.865 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)cc1C(=O)[O-] ZINC000790383979 1078010214 /nfs/dbraw/zinc/01/02/14/1078010214.db2.gz MSUSGKZONQLMPI-UHFFFAOYSA-N -1 1 422.850 2.643 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc(Cn3cncn3)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806222163 1079505438 /nfs/dbraw/zinc/50/54/38/1079505438.db2.gz DEKNTNDLSXGGBD-XEZPLFJOSA-N -1 1 424.427 2.636 20 0 HFADMM Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c(Cl)n1 ZINC000806345560 1079618805 /nfs/dbraw/zinc/61/88/05/1079618805.db2.gz COWLAENJWRRKCZ-UHFFFAOYSA-N -1 1 409.895 2.715 20 0 HFADMM Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(N(C)C)n1 ZINC000806364190 1079650668 /nfs/dbraw/zinc/65/06/68/1079650668.db2.gz RWBJRKIXNKNSDQ-JKOKRWQUSA-N -1 1 401.433 2.765 20 0 HFADMM CC(C)(C)OC(=O)N1CCc2nc(NC(=O)C(=O)c3ccc([O-])cc3)sc2C1 ZINC000806371942 1079659153 /nfs/dbraw/zinc/65/91/53/1079659153.db2.gz XSVXASPERBUDEB-UHFFFAOYSA-N -1 1 403.460 2.963 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806402882 1079691384 /nfs/dbraw/zinc/69/13/84/1079691384.db2.gz NNDLWTFGACWTPZ-HUBLWGQQSA-N -1 1 424.427 2.791 20 0 HFADMM CCCN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000806491452 1079740741 /nfs/dbraw/zinc/74/07/41/1079740741.db2.gz ZNMZXUIMKZSYTP-UHFFFAOYSA-N -1 1 416.526 2.985 20 0 HFADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1cccc(Br)c1 ZINC000806492523 1079744122 /nfs/dbraw/zinc/74/41/22/1079744122.db2.gz JJRDSRQKQRPKQF-NSHDSACASA-N -1 1 404.268 2.693 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccn(-c3ccccc3)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806507170 1079757375 /nfs/dbraw/zinc/75/73/75/1079757375.db2.gz MBDRZUQVDDWZNO-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccccc1Br ZINC000806482822 1079769030 /nfs/dbraw/zinc/76/90/30/1079769030.db2.gz RZJNOLTTXFYYGY-LLVKDONJSA-N -1 1 404.268 2.693 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccnc1-2 ZINC000806485241 1079771188 /nfs/dbraw/zinc/77/11/88/1079771188.db2.gz ORERNYHSINNJDN-UHFFFAOYSA-N -1 1 419.411 2.546 20 0 HFADMM Cc1cc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1I ZINC000806488841 1079775197 /nfs/dbraw/zinc/77/51/97/1079775197.db2.gz SEAHLVQIGLSGIE-UHFFFAOYSA-N -1 1 421.242 2.577 20 0 HFADMM COc1ccc(CNC(=S)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806595095 1079837908 /nfs/dbraw/zinc/83/79/08/1079837908.db2.gz MPXRAXWZXMRGIN-HUBLWGQQSA-N -1 1 403.470 2.847 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCCS1 ZINC001130700577 1079900101 /nfs/dbraw/zinc/90/01/01/1079900101.db2.gz DGAOGRQTIGGANR-AGIUHOORSA-N -1 1 424.485 2.652 20 0 HFADMM COC(=O)c1c(C)csc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000806718089 1079942675 /nfs/dbraw/zinc/94/26/75/1079942675.db2.gz RUGFNPARPILBSA-UHFFFAOYSA-N -1 1 407.414 2.766 20 0 HFADMM CCN(C)C(=O)c1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000806778031 1079995364 /nfs/dbraw/zinc/99/53/64/1079995364.db2.gz WIGLHBZRVYNSEQ-UHFFFAOYSA-N -1 1 414.428 2.701 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccccc3Oc3cccc(F)c3)ccnc1-2 ZINC000806890769 1080055517 /nfs/dbraw/zinc/05/55/17/1080055517.db2.gz COSQKUSYWSYRNE-UHFFFAOYSA-N -1 1 419.416 2.528 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)ccnc1-2 ZINC000806857161 1080061321 /nfs/dbraw/zinc/06/13/21/1080061321.db2.gz OETHKOGJNHZCAN-IBGZPJMESA-N -1 1 419.872 2.840 20 0 HFADMM CCO[C@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C12CCC2 ZINC000806860046 1080063616 /nfs/dbraw/zinc/06/36/16/1080063616.db2.gz FUVQXGMBXKFNDH-YTFOTSKYSA-N -1 1 405.461 2.821 20 0 HFADMM CC(C)[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806883439 1080081036 /nfs/dbraw/zinc/08/10/36/1080081036.db2.gz VXMHETOEWKOHFV-INIZCTEOSA-N -1 1 419.407 2.813 20 0 HFADMM CC(C)Cc1ccc([C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C2CC2)cc1 ZINC000806883137 1080081595 /nfs/dbraw/zinc/08/15/95/1080081595.db2.gz ZOIIOBZHVWMXSV-FQEVSTJZSA-N -1 1 405.502 2.746 20 0 HFADMM COC(=O)CCc1nnc([N-]C(=O)c2nc(Br)sc2C2CC2)s1 ZINC000806889642 1080086711 /nfs/dbraw/zinc/08/67/11/1080086711.db2.gz CXMXDABJLTWZLP-UHFFFAOYSA-N -1 1 417.310 2.992 20 0 HFADMM Cc1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(OCCCC(C)C)c1 ZINC000806936884 1080143887 /nfs/dbraw/zinc/14/38/87/1080143887.db2.gz HXFZFCZLSLNGGA-UHFFFAOYSA-N -1 1 423.517 2.720 20 0 HFADMM CC(C)[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(C(F)(F)F)cc1 ZINC000806948206 1080158036 /nfs/dbraw/zinc/15/80/36/1080158036.db2.gz YPRFESQQNKXWRE-INIZCTEOSA-N -1 1 419.407 2.813 20 0 HFADMM Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807000628 1080179261 /nfs/dbraw/zinc/17/92/61/1080179261.db2.gz VGNCVACHTBTRGW-UHFFFAOYSA-N -1 1 413.481 2.818 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3c(F)cccc3F)C3CCCC3)ccnc1-2 ZINC000807007793 1080206143 /nfs/dbraw/zinc/20/61/43/1080206143.db2.gz OIEQFDSRICSWMZ-UHFFFAOYSA-N -1 1 413.428 2.530 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccccc3F)C3CCCCC3)ccnc1-2 ZINC000807008380 1080207825 /nfs/dbraw/zinc/20/78/25/1080207825.db2.gz ZIFWTWXHPOJCRX-UHFFFAOYSA-N -1 1 409.465 2.781 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747373050 1080285428 /nfs/dbraw/zinc/28/54/28/1080285428.db2.gz SJRAMTSDKBEYKY-YPMHNXCESA-N -1 1 410.540 2.978 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747386956 1080459897 /nfs/dbraw/zinc/45/98/97/1080459897.db2.gz RIHQKDMWTRYFOK-CYBMUJFWSA-N -1 1 410.540 2.980 20 0 HFADMM C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000807367998 1080568063 /nfs/dbraw/zinc/56/80/63/1080568063.db2.gz BTHJIPVRLPAUFZ-MRVPVSSYSA-N -1 1 423.800 2.765 20 0 HFADMM Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(C)c1 ZINC000807493021 1080683054 /nfs/dbraw/zinc/68/30/54/1080683054.db2.gz NOPDNXOWDNGMCZ-PJODQICGSA-N -1 1 413.440 2.854 20 0 HFADMM COc1ccc2nc(CN[C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])sc2c1 ZINC000426727847 1126083664 /nfs/dbraw/zinc/08/36/64/1126083664.db2.gz QXHPEMKFVJGYGI-LLVKDONJSA-N -1 1 400.382 2.763 20 0 HFADMM O=C([O-])[C@@H](Cc1ccco1)NCc1ncc(Br)cc1Br ZINC001320748815 1126170012 /nfs/dbraw/zinc/17/00/12/1126170012.db2.gz LGJFQCGCTBLPRZ-LLVKDONJSA-N -1 1 404.058 2.985 20 0 HFADMM CCN(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(OC)c1 ZINC000790515359 1078049013 /nfs/dbraw/zinc/04/90/13/1078049013.db2.gz QMWSGPADCGDJJC-INIZCTEOSA-N -1 1 412.533 2.816 20 0 HFADMM O=C(COC(=O)COc1ccc(Oc2ccccn2)cc1)[N-]C(=O)c1ccccc1 ZINC000746930220 1078067201 /nfs/dbraw/zinc/06/72/01/1078067201.db2.gz HBQGQZOTODUUMC-UHFFFAOYSA-N -1 1 406.394 2.753 20 0 HFADMM CC[C@H](OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)NCc1ccccc1 ZINC000746934632 1078072882 /nfs/dbraw/zinc/07/28/82/1078072882.db2.gz KCNUCQLRNOAEFJ-SFHVURJKSA-N -1 1 410.474 2.623 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000746935538 1078077325 /nfs/dbraw/zinc/07/73/25/1078077325.db2.gz MJXSKEXJEIVAJI-SZNDQCEHSA-N -1 1 416.522 2.953 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCCc1nc(-c2ccncc2)no1 ZINC000746936148 1078082875 /nfs/dbraw/zinc/08/28/75/1078082875.db2.gz XWWMTFYMMIQKIT-UHFFFAOYSA-N -1 1 422.445 2.605 20 0 HFADMM Cn1cncc1CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000793251794 1078110690 /nfs/dbraw/zinc/11/06/90/1078110690.db2.gz ADHQHMYISSBDDQ-UHFFFAOYSA-N -1 1 403.435 2.760 20 0 HFADMM Cc1cc(N2C[C@@H](C(=O)[N-]OCc3cccnc3)CC2=O)ccc1Br ZINC000746945416 1078129928 /nfs/dbraw/zinc/12/99/28/1078129928.db2.gz SQAWCXNZRILCGT-AWEZNQCLSA-N -1 1 404.264 2.753 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cnc1C ZINC000793400580 1078167709 /nfs/dbraw/zinc/16/77/09/1078167709.db2.gz LGANMGZAALYSOT-UHFFFAOYSA-N -1 1 407.517 2.531 20 0 HFADMM C[C@](O)(CSc1cccc(F)c1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793468419 1078182550 /nfs/dbraw/zinc/18/25/50/1078182550.db2.gz JGHGNDNDRQUWOR-SJCJKPOMSA-N -1 1 422.444 2.586 20 0 HFADMM Cc1cc(C)c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1C=O ZINC000793736931 1078285052 /nfs/dbraw/zinc/28/50/52/1078285052.db2.gz VFWIFOVPYKSBCJ-UHFFFAOYSA-N -1 1 402.472 2.858 20 0 HFADMM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC001129488768 1078508779 /nfs/dbraw/zinc/50/87/79/1078508779.db2.gz YNNRVYIPEWXYHN-GFCCVEGCSA-N -1 1 415.412 2.568 20 0 HFADMM CN(Cc1ccccc1)C1CN(C(=O)c2cccc(I)c2[O-])C1 ZINC000804532808 1078570150 /nfs/dbraw/zinc/57/01/50/1078570150.db2.gz LAPTZDRCWAHBTA-UHFFFAOYSA-N -1 1 422.266 2.953 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000747211261 1078609129 /nfs/dbraw/zinc/60/91/29/1078609129.db2.gz BCFHLIPZOLZECX-UHFFFAOYSA-N -1 1 407.268 2.745 20 0 HFADMM CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)CC1 ZINC000804762538 1078613302 /nfs/dbraw/zinc/61/33/02/1078613302.db2.gz JLMUWJHTEQVGOH-HNNXBMFYSA-N -1 1 409.914 2.813 20 0 HFADMM CN1C(=O)C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)[C@H]1c1cccc(Cl)c1 ZINC001129638743 1078616399 /nfs/dbraw/zinc/61/63/99/1078616399.db2.gz CSPZEMDMVOHALY-WMLDXEAASA-N -1 1 400.866 2.873 20 0 HFADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001129639362 1078616783 /nfs/dbraw/zinc/61/67/83/1078616783.db2.gz LNQNYTLBKPNQST-UHFFFAOYSA-N -1 1 416.503 2.534 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CCCc3cccc(S(C)(=O)=O)c32)c(=O)[n-]1 ZINC001129661904 1078623576 /nfs/dbraw/zinc/62/35/76/1078623576.db2.gz UQHLBMFKJDXLNO-UHFFFAOYSA-N -1 1 421.544 2.528 20 0 HFADMM COc1ccc(CCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000804857967 1078684159 /nfs/dbraw/zinc/68/41/59/1078684159.db2.gz KVHQAWRERBVFTB-XEZPLFJOSA-N -1 1 401.429 2.725 20 0 HFADMM C[C@H]1CCN(C(=O)NCCOc2cccc(F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804907838 1078729935 /nfs/dbraw/zinc/72/99/35/1078729935.db2.gz BNMOWCRUIPOATH-HUBLWGQQSA-N -1 1 405.392 2.692 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c(Br)n1C ZINC000804959092 1078799549 /nfs/dbraw/zinc/79/95/49/1078799549.db2.gz ZFEYDQJYPSOSKQ-UHFFFAOYSA-N -1 1 404.355 2.910 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)COc2c(C)cccc2C)c(Br)n1C ZINC000804967565 1078803915 /nfs/dbraw/zinc/80/39/15/1078803915.db2.gz XZOJKTDJTQDRBV-LBPRGKRZSA-N -1 1 416.341 2.854 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)c(Br)n1C ZINC000805019834 1078830398 /nfs/dbraw/zinc/83/03/98/1078830398.db2.gz JJJZJYAPOWJSNG-SECBINFHSA-N -1 1 422.732 2.890 20 0 HFADMM COCc1ccccc1CS(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000805010723 1078854602 /nfs/dbraw/zinc/85/46/02/1078854602.db2.gz AWOLBVIOOFUEBF-QGZVFWFLSA-N -1 1 403.422 2.703 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c(Br)n1C ZINC000805076329 1078908535 /nfs/dbraw/zinc/90/85/35/1078908535.db2.gz UPEOLQYKXQQHQM-UHFFFAOYSA-N -1 1 424.267 2.613 20 0 HFADMM C[C@H]1CCN(C(=O)NCCOc2ccc(F)c(F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805080721 1078910806 /nfs/dbraw/zinc/91/08/06/1078910806.db2.gz KLQQNXIZIKFKBK-PGUXBMHVSA-N -1 1 423.382 2.831 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCOc2cccc(C)c2C)c(Br)n1C ZINC000805082361 1078912989 /nfs/dbraw/zinc/91/29/89/1078912989.db2.gz MVUZVVOOURCXMO-UHFFFAOYSA-N -1 1 416.341 2.855 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1N(C)C ZINC000805125692 1078924585 /nfs/dbraw/zinc/92/45/85/1078924585.db2.gz ILXVPWJRLNLKHV-XEZPLFJOSA-N -1 1 421.485 2.527 20 0 HFADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C)c2nccn2-c2ccccc2)c1F ZINC000805128474 1078928057 /nfs/dbraw/zinc/92/80/57/1078928057.db2.gz SEVHHUNICVILOM-GFCCVEGCSA-N -1 1 421.425 2.977 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000805275624 1079004837 /nfs/dbraw/zinc/00/48/37/1079004837.db2.gz OLSWGOWPFNSHAZ-GFCCVEGCSA-N -1 1 402.417 2.677 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805295168 1079015451 /nfs/dbraw/zinc/01/54/51/1079015451.db2.gz YCLLJZSHJNMYKQ-VQYVRKMMSA-N -1 1 405.461 2.679 20 0 HFADMM CS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000805511765 1079111898 /nfs/dbraw/zinc/11/18/98/1079111898.db2.gz WNRNOEFOFGEAOM-UHFFFAOYSA-N -1 1 415.261 2.794 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@@H](C)c1nncn1C ZINC000805539769 1079130026 /nfs/dbraw/zinc/13/00/26/1079130026.db2.gz BDJUJVYYJZTSCH-ZDUSSCGKSA-N -1 1 418.450 2.981 20 0 HFADMM COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cn[n-]n3)c2C)cc1OC ZINC000805603891 1079152364 /nfs/dbraw/zinc/15/23/64/1079152364.db2.gz XDSDDTOXYQNJJZ-UHFFFAOYSA-N -1 1 412.446 2.523 20 0 HFADMM O=C(OCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1cn[n-]n1 ZINC000805606341 1079153594 /nfs/dbraw/zinc/15/35/94/1079153594.db2.gz WDVPLMJPUBERLJ-MRXNPFEDSA-N -1 1 420.878 2.725 20 0 HFADMM CC[C@@H](C)NC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830294 1079299945 /nfs/dbraw/zinc/29/99/45/1079299945.db2.gz ZGNBQNCACUCXTI-XUWXXGDYSA-N -1 1 415.456 2.794 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000806016961 1079389858 /nfs/dbraw/zinc/38/98/58/1079389858.db2.gz PLZIEAWQMLXHHE-CYBMUJFWSA-N -1 1 402.451 2.552 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000806017912 1079391276 /nfs/dbraw/zinc/39/12/76/1079391276.db2.gz LRUXWLYMUTYUKW-UHFFFAOYSA-N -1 1 420.404 2.672 20 0 HFADMM CC(=O)NCc1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)s1 ZINC000806017259 1079391865 /nfs/dbraw/zinc/39/18/65/1079391865.db2.gz CIRYVDSOGNOILA-UHFFFAOYSA-N -1 1 412.471 2.650 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000806018981 1079392096 /nfs/dbraw/zinc/39/20/96/1079392096.db2.gz GVVXMYVZQJKOLE-UHFFFAOYSA-N -1 1 402.414 2.737 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000806017080 1079392152 /nfs/dbraw/zinc/39/21/52/1079392152.db2.gz SQYDXNJJPICNTD-ZDUSSCGKSA-N -1 1 412.471 2.518 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(C)nc1C(F)(F)F ZINC000806018411 1079392662 /nfs/dbraw/zinc/39/26/62/1079392662.db2.gz DOWYWYNRHIWAID-UHFFFAOYSA-N -1 1 407.352 2.704 20 0 HFADMM CCc1nn(C)c(CC)c1CC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806018057 1079393207 /nfs/dbraw/zinc/39/32/07/1079393207.db2.gz PGCBYFGIMSMBNE-UHFFFAOYSA-N -1 1 409.490 2.739 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccccc1SCC(N)=O ZINC000806019596 1079393450 /nfs/dbraw/zinc/39/34/50/1079393450.db2.gz KRVPWWVRZSORPQ-UHFFFAOYSA-N -1 1 424.482 2.530 20 0 HFADMM Cc1nn(C)c2nc(C)c(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)cc12 ZINC000806020676 1079394103 /nfs/dbraw/zinc/39/41/03/1079394103.db2.gz VAIOYVGENUURDR-UHFFFAOYSA-N -1 1 418.457 2.851 20 0 HFADMM COC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806204430 1079492258 /nfs/dbraw/zinc/49/22/58/1079492258.db2.gz IJAURKYMNXFOTO-MJVIPROJSA-N -1 1 401.385 2.783 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC4(C3)OCCO4)cc2)cc1 ZINC000772701685 1076852178 /nfs/dbraw/zinc/85/21/78/1076852178.db2.gz RIQGJUUUGINIQK-UHFFFAOYSA-N -1 1 416.499 2.775 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)c1nnnn1C1CCCCC1 ZINC000787679847 1076908904 /nfs/dbraw/zinc/90/89/04/1076908904.db2.gz YIRIXAXWLRAWDD-CQSZACIVSA-N -1 1 413.482 2.780 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCC(=O)N(C)C)c2)cc1 ZINC000787972394 1077013142 /nfs/dbraw/zinc/01/31/42/1077013142.db2.gz KQEKUIKFECVDBJ-UHFFFAOYSA-N -1 1 420.487 2.521 20 0 HFADMM CC1(C)OCC([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CO1 ZINC000788077148 1077053873 /nfs/dbraw/zinc/05/38/73/1077053873.db2.gz TUINOUBJWFFWOY-UHFFFAOYSA-N -1 1 402.669 2.671 20 0 HFADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)c(N4CCCCC4)c3)ccc2O1 ZINC000788089914 1077056148 /nfs/dbraw/zinc/05/61/48/1077056148.db2.gz JYPQWKQAUFXUNZ-AWEZNQCLSA-N -1 1 415.515 2.900 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NOC[C@H]1CCOC1 ZINC000788117643 1077058489 /nfs/dbraw/zinc/05/84/89/1077058489.db2.gz JGCMXPPIHIJYHB-AWEZNQCLSA-N -1 1 408.451 2.633 20 0 HFADMM O=C(CCSc1ccc(Br)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788146568 1077064633 /nfs/dbraw/zinc/06/46/33/1077064633.db2.gz DDDAHCCSODFWNM-LBPRGKRZSA-N -1 1 414.354 2.761 20 0 HFADMM CC(C)Oc1cc(Br)cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000788150752 1077065500 /nfs/dbraw/zinc/06/55/00/1077065500.db2.gz WXRBXILLHRMQPR-CYBMUJFWSA-N -1 1 412.313 2.680 20 0 HFADMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(OC)OC ZINC000788201098 1077078162 /nfs/dbraw/zinc/07/81/62/1077078162.db2.gz XSMKPWFXYHPEFY-KRWDZBQOSA-N -1 1 410.467 2.754 20 0 HFADMM C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001626111876 1077097262 /nfs/dbraw/zinc/09/72/62/1077097262.db2.gz PIHLHSSQVYWVHK-GFCCVEGCSA-N -1 1 416.421 2.898 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1C ZINC000788498119 1077182236 /nfs/dbraw/zinc/18/22/36/1077182236.db2.gz GPHIQUMHZDXGMJ-UHFFFAOYSA-N -1 1 403.460 2.639 20 0 HFADMM Cc1ccc(CN2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)nc3Cl)C2=O)cc1 ZINC000790938004 1077237064 /nfs/dbraw/zinc/23/70/64/1077237064.db2.gz ZENULBYUSCFBIG-ZDUSSCGKSA-N -1 1 414.314 2.776 20 0 HFADMM COc1ccc(-c2nc([N-]C(=O)c3nc(Br)cs3)n[nH]2)c(OC)c1 ZINC000788654232 1077253542 /nfs/dbraw/zinc/25/35/42/1077253542.db2.gz RCWNZNGAXQTGMM-UHFFFAOYSA-N -1 1 410.253 2.960 20 0 HFADMM CC[C@H](C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788750749 1077276455 /nfs/dbraw/zinc/27/64/55/1077276455.db2.gz NMNQKTPXDSBYPL-AWEZNQCLSA-N -1 1 422.528 2.939 20 0 HFADMM CC(C)(C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788743350 1077287011 /nfs/dbraw/zinc/28/70/11/1077287011.db2.gz HGKNKMPHGWZLDL-UHFFFAOYSA-N -1 1 422.528 2.939 20 0 HFADMM Cc1cc(S(=O)(=O)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)sc1Cl ZINC000788749529 1077289708 /nfs/dbraw/zinc/28/97/08/1077289708.db2.gz WTMXQYSVLIADGF-UHFFFAOYSA-N -1 1 416.916 2.616 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CC[C@H](SC)C3)c2)n1 ZINC000789043584 1077392599 /nfs/dbraw/zinc/39/25/99/1077392599.db2.gz GHHGAACLTYQGGP-GJZGRUSLSA-N -1 1 403.508 2.732 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)co1 ZINC000789081691 1077399237 /nfs/dbraw/zinc/39/92/37/1077399237.db2.gz SEJQROACKPCLNN-SECBINFHSA-N -1 1 405.350 2.635 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)c(Br)c1 ZINC000789385649 1077532019 /nfs/dbraw/zinc/53/20/19/1077532019.db2.gz CMHPZYPGWXCTRB-UHFFFAOYSA-N -1 1 412.309 2.868 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC[C@H]3CNC(=O)C3)cc2)ccc1F ZINC000792015357 1077651141 /nfs/dbraw/zinc/65/11/41/1077651141.db2.gz MWNVFZIDBJNYTG-CQSZACIVSA-N -1 1 420.462 2.618 20 0 HFADMM NC(=O)N1CCC[C@@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000792266162 1077786990 /nfs/dbraw/zinc/78/69/90/1077786990.db2.gz DCSWQVGKJVLFLK-CYBMUJFWSA-N -1 1 412.471 2.898 20 0 HFADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000789871731 1077831181 /nfs/dbraw/zinc/83/11/81/1077831181.db2.gz KZSZYRRCWLVOBD-UHFFFAOYSA-N -1 1 405.241 2.934 20 0 HFADMM Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000789922567 1077848324 /nfs/dbraw/zinc/84/83/24/1077848324.db2.gz ISQDHZVIJHESDF-UHFFFAOYSA-N -1 1 416.235 2.597 20 0 HFADMM CN(CCCC(=O)Nc1nc(Cl)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000789931232 1077851682 /nfs/dbraw/zinc/85/16/82/1077851682.db2.gz CGZNRFBZTDXPKR-UHFFFAOYSA-N -1 1 401.847 2.619 20 0 HFADMM C[C@H](CNC(=O)c1ccc(I)c([O-])c1)NC(=O)OC(C)(C)C ZINC000792513464 1077882083 /nfs/dbraw/zinc/88/20/83/1077882083.db2.gz SSHWFXBGRIXLSG-SECBINFHSA-N -1 1 420.247 2.640 20 0 HFADMM C[C@@H](C(=O)Nc1nc(Br)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000790046992 1077928200 /nfs/dbraw/zinc/92/82/00/1077928200.db2.gz UGLJHQNQMIJAQR-SECBINFHSA-N -1 1 400.273 2.991 20 0 HFADMM O=C(Nc1cn[nH]n1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000790061921 1077935864 /nfs/dbraw/zinc/93/58/64/1077935864.db2.gz BUPRBIFMDIXZRT-UHFFFAOYSA-N -1 1 422.264 2.620 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000792635058 1077955400 /nfs/dbraw/zinc/95/54/00/1077955400.db2.gz UINZABPSCLWPJW-UHFFFAOYSA-N -1 1 415.494 2.664 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(C)nn(CC)c3Cl)c2)n1 ZINC000790156937 1077960939 /nfs/dbraw/zinc/96/09/39/1077960939.db2.gz BJOCBMZEDRZAQF-UHFFFAOYSA-N -1 1 416.869 2.757 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Cc3ccc(Cl)nc3C)c2)n1 ZINC000790160622 1077962582 /nfs/dbraw/zinc/96/25/82/1077962582.db2.gz UIJZTVKTVHXNCZ-UHFFFAOYSA-N -1 1 413.865 2.864 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000790201685 1077968554 /nfs/dbraw/zinc/96/85/54/1077968554.db2.gz LSIQJQZPXRGWME-CQSZACIVSA-N -1 1 423.473 2.770 20 0 HFADMM O=S(=O)([N-]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Cl)ccc1F ZINC000790254147 1077977873 /nfs/dbraw/zinc/97/78/73/1077977873.db2.gz FZCFKVMNGRAVAX-CYBMUJFWSA-N -1 1 422.261 2.916 20 0 HFADMM CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790385460 1078011529 /nfs/dbraw/zinc/01/15/29/1078011529.db2.gz SFUGPDILUCQCCW-UHFFFAOYSA-N -1 1 413.839 2.599 20 0 HFADMM C[C@@]1(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC(=O)N1 ZINC000792897525 1078018764 /nfs/dbraw/zinc/01/87/64/1078018764.db2.gz BXQRGNHTYMMVGC-HXUWFJFHSA-N -1 1 401.488 2.875 20 0 HFADMM Cn1cnc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)c1Cl ZINC000790432874 1078029183 /nfs/dbraw/zinc/02/91/83/1078029183.db2.gz FEAGQQCXDAZXFO-NSHDSACASA-N -1 1 405.705 2.661 20 0 HFADMM COc1ccc(NC(=O)N[C@H](C)[C@H](O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000806311419 1079565762 /nfs/dbraw/zinc/56/57/62/1079565762.db2.gz JZIBKBCAEIZOON-ACJLOTCBSA-N -1 1 407.492 2.619 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806324882 1079596929 /nfs/dbraw/zinc/59/69/29/1079596929.db2.gz NGKMTLBHVDNIAW-MKBNYLNASA-N -1 1 414.428 2.825 20 0 HFADMM COc1cc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc(OC)c1Br ZINC000806490797 1079741966 /nfs/dbraw/zinc/74/19/66/1079741966.db2.gz MTSSKJDIDYQQHR-UHFFFAOYSA-N -1 1 406.240 2.766 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)ccnc1-2 ZINC000806490688 1079742079 /nfs/dbraw/zinc/74/20/79/1079742079.db2.gz ZQRPBBOGOCBIAC-MRXNPFEDSA-N -1 1 402.499 2.547 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4cccc(Br)c4)C3)ccnc1-2 ZINC000806492500 1079744207 /nfs/dbraw/zinc/74/42/07/1079744207.db2.gz IIMSKRQJJIENCW-INIZCTEOSA-N -1 1 416.279 2.710 20 0 HFADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccc(Br)cc1 ZINC000806492521 1079744227 /nfs/dbraw/zinc/74/42/27/1079744227.db2.gz JIUZZGJMKUQJBI-NSHDSACASA-N -1 1 404.268 2.693 20 0 HFADMM CCOc1ccc(COC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c(C)c1 ZINC001130649585 1079745729 /nfs/dbraw/zinc/74/57/29/1079745729.db2.gz CTWTUZFCZKQTAM-UHFFFAOYSA-N -1 1 415.490 2.710 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)ccnc1-2 ZINC000806482294 1079767361 /nfs/dbraw/zinc/76/73/61/1079767361.db2.gz VTQAIAKYNZXEJG-HXUWFJFHSA-N -1 1 414.469 2.713 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)ccnc1-2 ZINC000806481883 1079767862 /nfs/dbraw/zinc/76/78/62/1079767862.db2.gz IKZCVBHAFFVSAX-OAHLLOKOSA-N -1 1 408.510 2.919 20 0 HFADMM COC(=O)C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(C(F)(F)F)cc1 ZINC000806481503 1079767945 /nfs/dbraw/zinc/76/79/45/1079767945.db2.gz DLZHTPVYLNJYDJ-HNNXBMFYSA-N -1 1 421.379 2.787 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)ccnc1-2 ZINC000806481882 1079767959 /nfs/dbraw/zinc/76/79/59/1079767959.db2.gz IKZCVBHAFFVSAX-HNNXBMFYSA-N -1 1 408.510 2.919 20 0 HFADMM COc1cc(OC)cc(C2(F)CCN(C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)c1 ZINC000806483254 1079768473 /nfs/dbraw/zinc/76/84/73/1079768473.db2.gz BLUKLUNVLZLICO-UHFFFAOYSA-N -1 1 413.453 2.852 20 0 HFADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482989 1079769049 /nfs/dbraw/zinc/76/90/49/1079769049.db2.gz XCHVUMSXLJFKHX-BBRMVZONSA-N -1 1 402.499 2.641 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)ccnc1-2 ZINC000806487554 1079774084 /nfs/dbraw/zinc/77/40/84/1079774084.db2.gz HIWYOLXJSIQSPD-LJQANCHMSA-N -1 1 419.407 2.884 20 0 HFADMM C[C@H]1CCN(C(=O)NCCn2cnc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806794927 1080014989 /nfs/dbraw/zinc/01/49/89/1080014989.db2.gz XUPLVVCJHHRVEI-XEZPLFJOSA-N -1 1 411.428 2.523 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000747355383 1080037460 /nfs/dbraw/zinc/03/74/60/1080037460.db2.gz OZVLDAQAKJZMSK-UHFFFAOYSA-N -1 1 400.454 2.741 20 0 HFADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806872488 1080073089 /nfs/dbraw/zinc/07/30/89/1080073089.db2.gz PHYKXZWFRXNMGZ-NSHDSACASA-N -1 1 405.380 2.519 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Oc2ccccc2)cc1 ZINC000806882405 1080080250 /nfs/dbraw/zinc/08/02/50/1080080250.db2.gz UUBHOCZKFRCXKH-HNNXBMFYSA-N -1 1 415.453 2.950 20 0 HFADMM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806925149 1080094643 /nfs/dbraw/zinc/09/46/43/1080094643.db2.gz COBWCIOYLQFHLU-GOSISDBHSA-N -1 1 409.490 2.583 20 0 HFADMM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806956047 1080122190 /nfs/dbraw/zinc/12/21/90/1080122190.db2.gz XUHNYGMBZBQQAH-RYUDHWBXSA-N -1 1 419.407 2.608 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806994998 1080174015 /nfs/dbraw/zinc/17/40/15/1080174015.db2.gz BZSIVYKYMFICLR-GGOFEBJYSA-N -1 1 423.501 2.528 20 0 HFADMM Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807013769 1080211159 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ZINC000790642966 1078090846 /nfs/dbraw/zinc/09/08/46/1078090846.db2.gz QBNRTCDOKFQPIP-CMDGGOBGSA-N -1 1 411.277 2.972 20 0 HFADMM O=C(N[C@@H](CCO)c1cccs1)c1cc(I)ccc1[O-] ZINC000790789621 1078135337 /nfs/dbraw/zinc/13/53/37/1078135337.db2.gz YEXLZROILAYXAI-NSHDSACASA-N -1 1 403.241 2.912 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1C(=O)[O-] ZINC000793347117 1078132906 /nfs/dbraw/zinc/13/29/06/1078132906.db2.gz VQLRCXVADDEWOG-LBPRGKRZSA-N -1 1 416.927 2.542 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3=O)c2)c(C)cc1F ZINC000793360143 1078146855 /nfs/dbraw/zinc/14/68/55/1078146855.db2.gz ZCLFELQXUQHSGE-UHFFFAOYSA-N -1 1 420.462 2.844 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)c(C)cc1F ZINC000793368734 1078150515 /nfs/dbraw/zinc/15/05/15/1078150515.db2.gz SVFYABVAZQNOAO-UHFFFAOYSA-N -1 1 422.434 2.674 20 0 HFADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000793368382 1078150556 /nfs/dbraw/zinc/15/05/56/1078150556.db2.gz 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COC(=O)Cn1ncc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])c1C ZINC000793851017 1078323372 /nfs/dbraw/zinc/32/33/72/1078323372.db2.gz VRKKGZNJQOVAPX-UHFFFAOYSA-N -1 1 404.423 2.669 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1 ZINC000794126489 1078375306 /nfs/dbraw/zinc/37/53/06/1078375306.db2.gz SDOZQQSFLHGMHT-UHFFFAOYSA-N -1 1 405.476 2.537 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@]3(C)CCOC3=O)ccc2C)cc1 ZINC000794087686 1078378326 /nfs/dbraw/zinc/37/83/26/1078378326.db2.gz WZKOMHVPHVAXNE-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM CCN1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@H](C)C1 ZINC000804380931 1078440110 /nfs/dbraw/zinc/44/01/10/1078440110.db2.gz YBJNLJJKVWYMSS-MRXNPFEDSA-N -1 1 402.564 2.798 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000747207188 1078524150 /nfs/dbraw/zinc/52/41/50/1078524150.db2.gz KMAABHZGHDEZBI-NSHDSACASA-N -1 1 406.508 2.651 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)C(C)(C)c3ccc(Br)c(C)c3)nc2n1 ZINC001129518946 1078530729 /nfs/dbraw/zinc/53/07/29/1078530729.db2.gz BUVDJMMKQFBIQJ-UHFFFAOYSA-N -1 1 404.268 2.713 20 0 HFADMM CN1C(=O)C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)[C@@H]1c1cccc(Cl)c1 ZINC001129638741 1078616391 /nfs/dbraw/zinc/61/63/91/1078616391.db2.gz CSPZEMDMVOHALY-PBHICJAKSA-N -1 1 400.866 2.873 20 0 HFADMM COc1ccc([C@H]2[C@H](C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)CCC(=O)N2C)cc1 ZINC001129640112 1078617406 /nfs/dbraw/zinc/61/74/06/1078617406.db2.gz ZACYIRVSRVMLDG-APWZRJJASA-N -1 1 410.474 2.618 20 0 HFADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804843250 1078682365 /nfs/dbraw/zinc/68/23/65/1078682365.db2.gz HSQNMFMKRCPQBN-JMSVASOKSA-N -1 1 405.524 2.782 20 0 HFADMM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804631357 1078685804 /nfs/dbraw/zinc/68/58/04/1078685804.db2.gz LZXRZTSYLZXLSC-KBPBESRZSA-N -1 1 416.396 2.921 20 0 HFADMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000804638937 1078726262 /nfs/dbraw/zinc/72/62/62/1078726262.db2.gz SNRCIKADPXKFMP-UONOGXRCSA-N -1 1 416.396 2.921 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(Br)n1C ZINC000804941122 1078768949 /nfs/dbraw/zinc/76/89/49/1078768949.db2.gz NULLSLLFWJOQBR-UHFFFAOYSA-N -1 1 422.345 2.842 20 0 HFADMM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000804972092 1078809576 /nfs/dbraw/zinc/80/95/76/1078809576.db2.gz ZKEWIGVMLSTGGQ-NSHDSACASA-N -1 1 416.341 2.799 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3cccn3)c2)c(Br)n1C ZINC000805020516 1078831621 /nfs/dbraw/zinc/83/16/21/1078831621.db2.gz VKXRLRTUQYGHJE-LLVKDONJSA-N -1 1 424.324 2.716 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3cccn3)c2)c(Br)n1C ZINC000805020519 1078831681 /nfs/dbraw/zinc/83/16/81/1078831681.db2.gz VKXRLRTUQYGHJE-NSHDSACASA-N -1 1 424.324 2.716 20 0 HFADMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)on1 ZINC000805003992 1078848329 /nfs/dbraw/zinc/84/83/29/1078848329.db2.gz JECSMECDCDFXNF-UHFFFAOYSA-N -1 1 412.411 2.570 20 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/nfs/dbraw/zinc/98/93/72/1078989372.db2.gz DYGVFFJJPSGJPP-RBOXIYTFSA-N -1 1 401.429 2.991 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2Cl)o1 ZINC000747239020 1079020129 /nfs/dbraw/zinc/02/01/29/1079020129.db2.gz KFHKBPMITADWFO-UHFFFAOYSA-N -1 1 408.657 2.961 20 0 HFADMM CC(C)OC(=O)CC[C@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805401954 1079042138 /nfs/dbraw/zinc/04/21/38/1079042138.db2.gz RJPFHFKDEZIFBX-ABHRYQDASA-N -1 1 409.449 2.594 20 0 HFADMM COc1cc(C=O)c(Br)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747252577 1079132193 /nfs/dbraw/zinc/13/21/93/1079132193.db2.gz GREVXYRSLPOMBY-UHFFFAOYSA-N -1 1 403.254 2.884 20 0 HFADMM COc1cc(C=O)c(Br)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747252577 1079132199 /nfs/dbraw/zinc/13/21/99/1079132199.db2.gz GREVXYRSLPOMBY-UHFFFAOYSA-N -1 1 403.254 2.884 20 0 HFADMM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1cn[n-]n1 ZINC000805605715 1079153471 /nfs/dbraw/zinc/15/34/71/1079153471.db2.gz NCGRXWPPRKDKFA-NSHDSACASA-N -1 1 414.443 2.894 20 0 HFADMM Cc1ccc(CNC(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1F ZINC000805788822 1079256548 /nfs/dbraw/zinc/25/65/48/1079256548.db2.gz VIKCVLBIXNBRIL-DCGLDWPTSA-N -1 1 403.420 2.528 20 0 HFADMM COCCOc1cccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806018566 1079392720 /nfs/dbraw/zinc/39/27/20/1079392720.db2.gz GQMQJJGPJYZNIQ-UHFFFAOYSA-N -1 1 409.442 2.977 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cnn(C)c1C(F)(F)F ZINC000806018571 1079392752 /nfs/dbraw/zinc/39/27/52/1079392752.db2.gz GXVARMIUIKBPOB-UHFFFAOYSA-N -1 1 407.352 2.704 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000806018382 1079392819 /nfs/dbraw/zinc/39/28/19/1079392819.db2.gz VLFRWOBPFSIECO-MRXNPFEDSA-N -1 1 418.453 2.691 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CSc1nncn1C(C)C ZINC000806018148 1079393114 /nfs/dbraw/zinc/39/31/14/1079393114.db2.gz ADXRXMKWRWLQBR-UHFFFAOYSA-N -1 1 414.491 2.603 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(-c2ccccc2)nn1 ZINC000806020633 1079394123 /nfs/dbraw/zinc/39/41/23/1079394123.db2.gz UNYDSDCLBNMVNK-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cnc(OCC2CC2)cn1 ZINC000806020562 1079394156 /nfs/dbraw/zinc/39/41/56/1079394156.db2.gz TTYOFOHQUCLEDD-UHFFFAOYSA-N -1 1 407.430 2.531 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H]3CC(=O)N(C)[C@H]3C)cc2)cc1 ZINC000806080731 1079416557 /nfs/dbraw/zinc/41/65/57/1079416557.db2.gz IFULJMZWXHWTHG-KSSFIOAISA-N -1 1 402.472 2.572 20 0 HFADMM CCC[C@@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1nn[n-]n1 ZINC000787413158 1076797224 /nfs/dbraw/zinc/79/72/24/1076797224.db2.gz GMWHQILRYFPWOJ-LJQANCHMSA-N -1 1 420.473 2.696 20 0 HFADMM CCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)c1nn[n-]n1 ZINC000787413157 1076797275 /nfs/dbraw/zinc/79/72/75/1076797275.db2.gz GMWHQILRYFPWOJ-IBGZPJMESA-N -1 1 420.473 2.696 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)c3nnnn3C)cc2)cc1C ZINC000787601255 1076887843 /nfs/dbraw/zinc/88/78/43/1076887843.db2.gz QSVTYESVXYCUKU-CQSZACIVSA-N -1 1 415.475 2.546 20 0 HFADMM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N[C@H]1CCc2nc[nH]c2C1 ZINC000772705580 1076931794 /nfs/dbraw/zinc/93/17/94/1076931794.db2.gz PGEJYTSFYVXRJV-AWEZNQCLSA-N -1 1 411.531 2.642 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787837445 1076958311 /nfs/dbraw/zinc/95/83/11/1076958311.db2.gz HYENPOWIKDIJLS-KRWDZBQOSA-N -1 1 416.840 2.737 20 0 HFADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000787955765 1077008358 /nfs/dbraw/zinc/00/83/58/1077008358.db2.gz NQTLAQZKKNJVIR-SNVBAGLBSA-N -1 1 404.785 2.949 20 0 HFADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)c(N4CCCCC4)c3)ccc2O1 ZINC000788089915 1077056178 /nfs/dbraw/zinc/05/61/78/1077056178.db2.gz JYPQWKQAUFXUNZ-CQSZACIVSA-N -1 1 415.515 2.900 20 0 HFADMM NC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3cnc4ccccc4c3)cc2)CC1 ZINC000788093231 1077056764 /nfs/dbraw/zinc/05/67/64/1077056764.db2.gz OBTJOCXKGMREHA-UHFFFAOYSA-N -1 1 410.499 2.737 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccnc2Br)s1 ZINC000788095617 1077057006 /nfs/dbraw/zinc/05/70/06/1077057006.db2.gz ZPLSVWRBHWNNHW-UHFFFAOYSA-N -1 1 420.310 2.605 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)s1 ZINC000788094977 1077057234 /nfs/dbraw/zinc/05/72/34/1077057234.db2.gz FVOJKQHDHJGAMY-UHFFFAOYSA-N -1 1 400.526 2.759 20 0 HFADMM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788150367 1077061342 /nfs/dbraw/zinc/06/13/42/1077061342.db2.gz VQYXMVRLOZYLOP-CABZTGNLSA-N -1 1 414.354 2.760 20 0 HFADMM C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)N1CCc2ccccc21 ZINC000788144496 1077064150 /nfs/dbraw/zinc/06/41/50/1077064150.db2.gz XHABPVIXRUWMQK-ZDUSSCGKSA-N -1 1 418.396 2.539 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3nccn3C)cc2)cc1 ZINC000788200883 1077077992 /nfs/dbraw/zinc/07/79/92/1077077992.db2.gz LEZSBALZQYMOEF-UHFFFAOYSA-N -1 1 414.487 2.896 20 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/nfs/dbraw/zinc/36/81/78/1077368178.db2.gz CGJLNEMPTVUYRL-HZPDHXFCSA-N -1 1 417.441 2.517 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)[n-]1 ZINC000791279382 1077368182 /nfs/dbraw/zinc/36/81/82/1077368182.db2.gz CGJLNEMPTVUYRL-HZPDHXFCSA-N -1 1 417.441 2.517 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n1 ZINC000791279382 1077368187 /nfs/dbraw/zinc/36/81/87/1077368187.db2.gz CGJLNEMPTVUYRL-HZPDHXFCSA-N -1 1 417.441 2.517 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)ccnc1-2 ZINC000791284781 1077369843 /nfs/dbraw/zinc/36/98/43/1077369843.db2.gz FBXGCKIPZHVQGX-UHFFFAOYSA-N -1 1 419.416 2.751 20 0 HFADMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN(C(C)=O)CC4)cc21 ZINC000789736323 1077743185 /nfs/dbraw/zinc/74/31/85/1077743185.db2.gz YKMJYPCUCXJCSM-UHFFFAOYSA-N -1 1 413.543 2.817 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000746854287 1077770990 /nfs/dbraw/zinc/77/09/90/1077770990.db2.gz ZXRJBSROOVCGKM-UHFFFAOYSA-N -1 1 403.483 2.505 20 0 HFADMM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1nc(Br)ccc1[O-] ZINC000789922116 1077848977 /nfs/dbraw/zinc/84/89/77/1077848977.db2.gz FNCFEPNBKGNEMM-UHFFFAOYSA-N -1 1 415.203 2.645 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000789930467 1077851134 /nfs/dbraw/zinc/85/11/34/1077851134.db2.gz PTBVWWIRQUHXCH-JTQLQIEISA-N -1 1 401.897 2.602 20 0 HFADMM CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](O)c1ccccc1 ZINC000792575685 1077914079 /nfs/dbraw/zinc/91/40/79/1077914079.db2.gz RXGFIUPJTPZTSJ-QAPCUYQASA-N -1 1 408.520 2.989 20 0 HFADMM CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](O)c1ccccc1 ZINC000792575683 1077914114 /nfs/dbraw/zinc/91/41/14/1077914114.db2.gz RXGFIUPJTPZTSJ-CRAIPNDOSA-N -1 1 408.520 2.989 20 0 HFADMM CCS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790046041 1077916609 /nfs/dbraw/zinc/91/66/09/1077916609.db2.gz FIZQBPGJNZMQMI-UHFFFAOYSA-N -1 1 400.254 2.564 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(Br)ccc1O ZINC000790046041 1077916611 /nfs/dbraw/zinc/91/66/11/1077916611.db2.gz FIZQBPGJNZMQMI-UHFFFAOYSA-N -1 1 400.254 2.564 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CC(O)(C(C)C)C3)c2)c1 ZINC000790062267 1077935892 /nfs/dbraw/zinc/93/58/92/1077935892.db2.gz HENWWZRJJQGADU-UHFFFAOYSA-N -1 1 402.516 2.947 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)ccc1Cl ZINC000757471043 1077951620 /nfs/dbraw/zinc/95/16/20/1077951620.db2.gz AGHHEAUXCWXRQA-UHFFFAOYSA-N -1 1 412.876 2.972 20 0 HFADMM O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000792655884 1077959996 /nfs/dbraw/zinc/95/99/96/1077959996.db2.gz OXOIBEHKIFXUPZ-INIZCTEOSA-N -1 1 417.364 2.848 20 0 HFADMM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001170375438 1077961907 /nfs/dbraw/zinc/96/19/07/1077961907.db2.gz MZBMVOLASMQVNS-CYBMUJFWSA-N -1 1 423.260 2.694 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(F)(F)c3ncccc3C)c2)n1 ZINC000790159824 1077961899 /nfs/dbraw/zinc/96/18/99/1077961899.db2.gz LXYQCIBIPPHGAD-UHFFFAOYSA-N -1 1 415.400 2.760 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H]3OC(=O)c4ccccc43)c2)n1 ZINC000790159837 1077961917 /nfs/dbraw/zinc/96/19/17/1077961917.db2.gz MNZGCJFXOISDRR-QGZVFWFLSA-N -1 1 420.425 2.566 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cccc(NC(=O)OC)c3)c2)n1 ZINC000790159664 1077962290 /nfs/dbraw/zinc/96/22/90/1077962290.db2.gz JAKMFNUQLNUZNE-UHFFFAOYSA-N -1 1 423.429 2.757 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CN(CC)c3ccccc3)c2)n1 ZINC000790161413 1077963013 /nfs/dbraw/zinc/96/30/13/1077963013.db2.gz ZOVQVUWGYATCFK-UHFFFAOYSA-N -1 1 407.474 2.791 20 0 HFADMM COC(=O)[C@@](C)([N-]S(=O)(=O)CCC(F)(F)F)c1cccc(Br)c1 ZINC000790185279 1077966302 /nfs/dbraw/zinc/96/63/02/1077966302.db2.gz QFVSCKZPLJYMSC-LBPRGKRZSA-N -1 1 418.231 2.709 20 0 HFADMM CC(C)N1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1=O ZINC000746902698 1078003388 /nfs/dbraw/zinc/00/33/88/1078003388.db2.gz CUPLSMIUIHEQSS-GOSISDBHSA-N -1 1 402.472 2.654 20 0 HFADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000792819499 1078004453 /nfs/dbraw/zinc/00/44/53/1078004453.db2.gz VDXKINAATRXOOF-INIZCTEOSA-N -1 1 400.408 2.503 20 0 HFADMM COC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1 ZINC000790383400 1078010488 /nfs/dbraw/zinc/01/04/88/1078010488.db2.gz KIYUPCXCLMQJAE-UHFFFAOYSA-N -1 1 413.835 2.563 20 0 HFADMM CCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790387816 1078012035 /nfs/dbraw/zinc/01/20/35/1078012035.db2.gz UXWOURJESMKYBI-UHFFFAOYSA-N -1 1 412.851 2.597 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)cc1C(=O)[O-] ZINC000790391205 1078013588 /nfs/dbraw/zinc/01/35/88/1078013588.db2.gz SDDFWYZGNXTWFZ-XMMPIXPASA-N -1 1 403.865 2.585 20 0 HFADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1F ZINC000790399393 1078026057 /nfs/dbraw/zinc/02/60/57/1078026057.db2.gz ODKPTMLMWHATKL-UHFFFAOYSA-N -1 1 417.798 2.773 20 0 HFADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C)nc2Cl)c1 ZINC000806348544 1079621888 /nfs/dbraw/zinc/62/18/88/1079621888.db2.gz WGPVHZULYPGRTI-UHFFFAOYSA-N -1 1 411.911 2.961 20 0 HFADMM C[C@H](CCO)C1(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000805260363 1079683326 /nfs/dbraw/zinc/68/33/26/1079683326.db2.gz ZQMZUNFYLLEPOM-XGUBFFRZSA-N -1 1 407.477 2.662 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)Nc3ccc4c(c3)CCC(=O)N4CC(F)(F)F)ccnc1-2 ZINC000806491924 1079743060 /nfs/dbraw/zinc/74/30/60/1079743060.db2.gz XSSCBFPZDCCZKE-UHFFFAOYSA-N -1 1 418.379 2.827 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)ccnc1-2 ZINC000806493475 1079743587 /nfs/dbraw/zinc/74/35/87/1079743587.db2.gz ZTEUUPZCMBKLIJ-MRXNPFEDSA-N -1 1 403.389 2.549 20 0 HFADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482992 1079768934 /nfs/dbraw/zinc/76/89/34/1079768934.db2.gz XCHVUMSXLJFKHX-XJKSGUPXSA-N -1 1 402.499 2.641 20 0 HFADMM C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000806485224 1079771078 /nfs/dbraw/zinc/77/10/78/1079771078.db2.gz WMYWMAHYLPEWRI-MGPUTAFESA-N -1 1 409.490 2.789 20 0 HFADMM COc1cccc(CN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C2CCC(O)CC2)c1 ZINC000806484886 1079771576 /nfs/dbraw/zinc/77/15/76/1079771576.db2.gz JTLUUYAIFWGNAK-UHFFFAOYSA-N -1 1 409.490 2.688 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806533744 1079806841 /nfs/dbraw/zinc/80/68/41/1079806841.db2.gz GAFOGUFSYOXKMX-MKBNYLNASA-N -1 1 424.423 2.848 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1CC1 ZINC001130701089 1079900927 /nfs/dbraw/zinc/90/09/27/1079900927.db2.gz LVIABZQSEMHCDQ-ZFWWWQNUSA-N -1 1 406.445 2.947 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1CC1 ZINC001130701088 1079901001 /nfs/dbraw/zinc/90/10/01/1079901001.db2.gz LVIABZQSEMHCDQ-UKRRQHHQSA-N -1 1 406.445 2.947 20 0 HFADMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806851706 1080036453 /nfs/dbraw/zinc/03/64/53/1080036453.db2.gz WTRMDYZUDFIKPD-JTQLQIEISA-N -1 1 406.273 2.807 20 0 HFADMM CC(C)[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806883440 1080081140 /nfs/dbraw/zinc/08/11/40/1080081140.db2.gz VXMHETOEWKOHFV-MRXNPFEDSA-N -1 1 419.407 2.813 20 0 HFADMM C[C@@H](CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806926575 1080094495 /nfs/dbraw/zinc/09/44/95/1080094495.db2.gz ZYWFBSAGDDHHQQ-LBPRGKRZSA-N -1 1 419.407 2.609 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC(C)(C)c3ccc(C(C)(C)C)cc3)ccnc1-2 ZINC000806948905 1080157749 /nfs/dbraw/zinc/15/77/49/1080157749.db2.gz AMYIXVXJLGFHMV-UHFFFAOYSA-N -1 1 407.518 2.672 20 0 HFADMM CC(C)Oc1cc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccn1 ZINC000807014139 1080211751 /nfs/dbraw/zinc/21/17/51/1080211751.db2.gz ADPITKKKKMETTD-XEZPLFJOSA-N -1 1 416.444 2.856 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)ccnc1-2 ZINC000807022704 1080216971 /nfs/dbraw/zinc/21/69/71/1080216971.db2.gz OFGXKBITWRGHAK-UHFFFAOYSA-N -1 1 413.428 2.530 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccccc3)[C@H]3CCCC3(C)C)ccnc1-2 ZINC000807023570 1080217865 /nfs/dbraw/zinc/21/78/65/1080217865.db2.gz QYXQQZZKFKBMPM-IBGZPJMESA-N -1 1 405.502 2.888 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000747370975 1080247427 /nfs/dbraw/zinc/24/74/27/1080247427.db2.gz VPYFNAINEJTVBX-UHFFFAOYSA-N -1 1 416.547 2.887 20 0 HFADMM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807074323 1080257084 /nfs/dbraw/zinc/25/70/84/1080257084.db2.gz PXQQMAJDWCLCOF-UHFFFAOYSA-N -1 1 411.893 2.929 20 0 HFADMM COCC[C@H](Cc1ccco1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805278007 1080380192 /nfs/dbraw/zinc/38/01/92/1080380192.db2.gz PJSHLRRCDZAPNV-AYDFFVQHSA-N -1 1 419.444 2.714 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)o1 ZINC001130891133 1080466065 /nfs/dbraw/zinc/46/60/65/1080466065.db2.gz UIQVOAMRBIQOLH-QGZVFWFLSA-N -1 1 422.503 2.943 20 0 HFADMM CCn1c(SCC(=O)N(C)c2nn[n-]n2)nnc1-c1ccc(Cl)cc1Cl ZINC001130969930 1080686350 /nfs/dbraw/zinc/68/63/50/1080686350.db2.gz YUAIMBKESUCRGR-UHFFFAOYSA-N -1 1 413.294 2.540 20 0 HFADMM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4c3COC4=O)cc2)C[C@H](C)O1 ZINC000747406888 1080799607 /nfs/dbraw/zinc/79/96/07/1080799607.db2.gz BISVPSRHQPICHW-KBPBESRZSA-N -1 1 402.472 2.771 20 0 HFADMM Cn1c(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426726136 1126083318 /nfs/dbraw/zinc/08/33/18/1126083318.db2.gz HJJRHMVQPIVAFA-LLVKDONJSA-N -1 1 401.776 2.685 20 0 HFADMM COc1ccc([C@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1Br ZINC000797723515 939186159 /nfs/dbraw/zinc/18/61/59/939186159.db2.gz CNWSTBCRLOGSEN-DOMZBBRYSA-N -1 1 423.267 2.683 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 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/nfs/dbraw/zinc/10/80/77/1078108077.db2.gz BIPSLWBAUSTWDO-UHFFFAOYSA-N -1 1 421.425 2.899 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H]3C(=O)OCC3(C)C)c2)c1 ZINC000793292433 1078120074 /nfs/dbraw/zinc/12/00/74/1078120074.db2.gz ARKWFIGTTSBNSI-QGZVFWFLSA-N -1 1 403.456 2.904 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnc[nH]3)cc2)cc1Cl ZINC000793305780 1078123286 /nfs/dbraw/zinc/12/32/86/1078123286.db2.gz YTOWTEPLXNPNAG-UHFFFAOYSA-N -1 1 406.851 2.561 20 0 HFADMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC000793345560 1078132285 /nfs/dbraw/zinc/13/22/85/1078132285.db2.gz KDSGILIJSAOYST-NSHDSACASA-N -1 1 404.891 2.672 20 0 HFADMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793359709 1078147222 /nfs/dbraw/zinc/14/72/22/1078147222.db2.gz WMXRNZDRIQCFNE-UHFFFAOYSA-N -1 1 418.450 3.000 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c(C)cc1F ZINC000793368840 1078150568 /nfs/dbraw/zinc/15/05/68/1078150568.db2.gz YYORAIDBEKBHML-UHFFFAOYSA-N -1 1 408.451 2.732 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c(C)cc1F ZINC000793348940 1078155351 /nfs/dbraw/zinc/15/53/51/1078155351.db2.gz HMMVHLVMAMOCTH-UHFFFAOYSA-N -1 1 413.423 2.747 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c(C)cc1F ZINC000793351263 1078156467 /nfs/dbraw/zinc/15/64/67/1078156467.db2.gz ANPGITPYCHEARX-UHFFFAOYSA-N -1 1 406.435 2.848 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000793407409 1078158283 /nfs/dbraw/zinc/15/82/83/1078158283.db2.gz GUYOPMUDGYICGJ-LJQANCHMSA-N -1 1 419.499 2.924 20 0 HFADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(N4C(=O)CNC4=O)c3)cc2s1 ZINC000793429403 1078170044 /nfs/dbraw/zinc/17/00/44/1078170044.db2.gz HGHVWEUDBZISIA-UHFFFAOYSA-N -1 1 416.484 2.770 20 0 HFADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(OC)c(C)c1OC ZINC000793430641 1078170282 /nfs/dbraw/zinc/17/02/82/1078170282.db2.gz LHACDRCIKLXQPH-UHFFFAOYSA-N -1 1 413.423 2.967 20 0 HFADMM CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000793505577 1078205516 /nfs/dbraw/zinc/20/55/16/1078205516.db2.gz GBSIXJZLSZUEEL-UHFFFAOYSA-N -1 1 423.313 2.623 20 0 HFADMM CCn1c(=O)c2ccc(C(=O)N[C@@H](Cc3nc[nH]n3)c3ccccc3)cc2[n-]c1=S ZINC000793874505 1078330513 /nfs/dbraw/zinc/33/05/13/1078330513.db2.gz LMLFGYYBGNICDA-INIZCTEOSA-N -1 1 420.498 2.537 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@]3(C)CCOC3=O)cc2)cc1C ZINC000794081909 1078368622 /nfs/dbraw/zinc/36/86/22/1078368622.db2.gz AUXVBQZEEJCKIY-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\Sc2cc(F)ccc2F)c1 ZINC000794128133 1078375835 /nfs/dbraw/zinc/37/58/35/1078375835.db2.gz FNHAHLSNYDKUIU-SREVYHEPSA-N -1 1 400.428 2.823 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@]3(C)CCOC3=O)c2)c1 ZINC000794097822 1078371765 /nfs/dbraw/zinc/37/17/65/1078371765.db2.gz IDEJAKBQVRJQLK-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM 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O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804872445 1078694549 /nfs/dbraw/zinc/69/45/49/1078694549.db2.gz CCRAAYYAOFOUSZ-HNNXBMFYSA-N -1 1 403.508 2.682 20 0 HFADMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804631360 1078685909 /nfs/dbraw/zinc/68/59/09/1078685909.db2.gz LZXRZTSYLZXLSC-KGLIPLIRSA-N -1 1 416.396 2.921 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c(Br)n1C ZINC000804949922 1078777815 /nfs/dbraw/zinc/77/78/15/1078777815.db2.gz HMKIMUKHDPRNCF-UHFFFAOYSA-N -1 1 411.281 2.625 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(Br)n1C ZINC000804983144 1078820736 /nfs/dbraw/zinc/82/07/36/1078820736.db2.gz KEIXCFFRKMZHPN-UONOGXRCSA-N -1 1 414.325 2.690 20 0 HFADMM CC[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1cccc(C)c1 ZINC000805029259 1078842546 /nfs/dbraw/zinc/84/25/46/1078842546.db2.gz OPHLZOUGCRZNJS-ZDUSSCGKSA-N -1 1 416.341 2.935 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOCCCOC)cc2)cc1 ZINC000805042383 1078859248 /nfs/dbraw/zinc/85/92/48/1078859248.db2.gz PSNQVKQSDBVQAQ-UHFFFAOYSA-N -1 1 408.476 2.584 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c(Br)n1C ZINC000805055417 1078869042 /nfs/dbraw/zinc/86/90/42/1078869042.db2.gz WGPFHIMSQLAQOP-KGLIPLIRSA-N -1 1 414.325 2.547 20 0 HFADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)nc1C ZINC000805033694 1078880210 /nfs/dbraw/zinc/88/02/10/1078880210.db2.gz PGYGZJODOFKGCV-MRVPVSSYSA-N -1 1 407.876 2.855 20 0 HFADMM COCc1cc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1F ZINC000805086838 1078915697 /nfs/dbraw/zinc/91/56/97/1078915697.db2.gz HSMCJFCRDTTZSP-MKBNYLNASA-N -1 1 419.419 2.959 20 0 HFADMM CSc1ccc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805087092 1078916643 /nfs/dbraw/zinc/91/66/43/1078916643.db2.gz LXHCYSWXWVQRKZ-UHFFFAOYSA-N -1 1 404.355 2.734 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)c(Br)n1C ZINC000805089164 1078916982 /nfs/dbraw/zinc/91/69/82/1078916982.db2.gz BVDVHOYQJYKSJG-GFCCVEGCSA-N -1 1 404.717 2.590 20 0 HFADMM CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000805284242 1079009008 /nfs/dbraw/zinc/00/90/08/1079009008.db2.gz QJVRDOZLYHGTOZ-CQSZACIVSA-N -1 1 410.540 2.615 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)c3nncn3C)cc2)cc1 ZINC000805380634 1079053566 /nfs/dbraw/zinc/05/35/66/1079053566.db2.gz UUBSBJAURWUPRH-AWEZNQCLSA-N -1 1 400.460 2.842 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc(C(F)(F)F)cn1 ZINC000805429325 1079059275 /nfs/dbraw/zinc/05/92/75/1079059275.db2.gz CMEARSLCEIQTBW-UHFFFAOYSA-N -1 1 416.377 2.902 20 0 HFADMM COc1ccc(CN(C(=O)COC(=O)c2cn[n-]n2)[C@H](C)Cc2cccs2)cc1 ZINC000805607304 1079153555 /nfs/dbraw/zinc/15/35/55/1079153555.db2.gz JOBVQKBQPSQQMQ-CQSZACIVSA-N -1 1 414.487 2.692 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](C)Cc2cncc3ccccc32)cc1 ZINC000805676889 1079215722 /nfs/dbraw/zinc/21/57/22/1079215722.db2.gz CWQQBHSSQXTTCI-HNNXBMFYSA-N -1 1 406.438 2.922 20 0 HFADMM CCOc1ccccc1NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788721 1079254474 /nfs/dbraw/zinc/25/44/74/1079254474.db2.gz NGSMHTALTCKQDB-DCGLDWPTSA-N -1 1 401.429 2.801 20 0 HFADMM CCc1ccc(CNC(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000805788089 1079255686 /nfs/dbraw/zinc/25/56/86/1079255686.db2.gz HCZXMJCSTCNKME-MKBNYLNASA-N -1 1 405.486 2.704 20 0 HFADMM CCCC(=O)N1CCC[C@@H](C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)C1 ZINC000806017308 1079391780 /nfs/dbraw/zinc/39/17/80/1079391780.db2.gz XOBQPTFIRKEEPZ-MRXNPFEDSA-N -1 1 412.490 2.677 20 0 HFADMM CCc1nn(C)c(Cl)c1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806018015 1079393339 /nfs/dbraw/zinc/39/33/39/1079393339.db2.gz OMPSELDDTVSFIC-UHFFFAOYSA-N -1 1 401.854 2.901 20 0 HFADMM CCN(CC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O)C(=O)OC(C)(C)C ZINC000806019779 1079393377 /nfs/dbraw/zinc/39/33/77/1079393377.db2.gz FOIMWOVJKBDAIN-UHFFFAOYSA-N -1 1 416.478 2.895 20 0 HFADMM Cc1c(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cnn1C1CCOCC1 ZINC000806019983 1079393436 /nfs/dbraw/zinc/39/34/36/1079393436.db2.gz OVSRVYBERBFGLI-UHFFFAOYSA-N -1 1 423.473 2.809 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CC(=O)N(C)[C@@H]2C)cc1 ZINC000806071585 1079414147 /nfs/dbraw/zinc/41/41/47/1079414147.db2.gz TXYYYOYGNIILLY-KDOFPFPSSA-N -1 1 402.472 2.572 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)cc2)cc1 ZINC000806080729 1079416577 /nfs/dbraw/zinc/41/65/77/1079416577.db2.gz IFULJMZWXHWTHG-KDOFPFPSSA-N -1 1 402.472 2.572 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806185730 1079478338 /nfs/dbraw/zinc/47/83/38/1079478338.db2.gz SZHSDSIFOAZIOL-MMPTUQATSA-N -1 1 412.412 2.881 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(=O)[n-]1 ZINC000787385857 1076803453 /nfs/dbraw/zinc/80/34/53/1076803453.db2.gz LYCUZKHDNLOXEW-CYBMUJFWSA-N -1 1 410.540 2.661 20 0 HFADMM COC(=O)[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@H]1C ZINC000787512014 1076830670 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CCOC(=O)C1=C(NC(=O)CCc2ccccc2C(N)=O)[N-]c2ccccc2N=C1C ZINC000791458480 1077433235 /nfs/dbraw/zinc/43/32/35/1077433235.db2.gz XFVXXHKBCCZJTK-UHFFFAOYSA-N -1 1 420.469 2.827 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)co1 ZINC000772775774 1077477545 /nfs/dbraw/zinc/47/75/45/1077477545.db2.gz BFICMBNVMJFUAB-UHFFFAOYSA-N -1 1 421.475 2.738 20 0 HFADMM C=CC(=O)NCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000772777100 1077490502 /nfs/dbraw/zinc/49/05/02/1077490502.db2.gz ILIOECFTBOPBDD-UHFFFAOYSA-N -1 1 401.488 2.735 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000747048145 1077600130 /nfs/dbraw/zinc/60/01/30/1077600130.db2.gz SLYVQHOISHPGFM-UHFFFAOYSA-N -1 1 406.232 2.880 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC[C@@H]3CNC(=O)C3)cc2)cc1C ZINC000792001434 1077643281 /nfs/dbraw/zinc/64/32/81/1077643281.db2.gz BFZLUIXOSPEOHA-INIZCTEOSA-N -1 1 416.499 2.787 20 0 HFADMM Cn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789930500 1077851107 /nfs/dbraw/zinc/85/11/07/1077851107.db2.gz SSCRKMNRUBNNQE-UHFFFAOYSA-N -1 1 418.866 2.552 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3NC(=O)O[C@H]3C)ccc2C)c1 ZINC000789938478 1077859526 /nfs/dbraw/zinc/85/95/26/1077859526.db2.gz CBHIYZGRJYOAMK-SUMWQHHRSA-N -1 1 403.460 2.540 20 0 HFADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc(OC)cc1)c1ccc(Cl)c(F)c1 ZINC000790043318 1077909474 /nfs/dbraw/zinc/90/94/74/1077909474.db2.gz CAJKWBWCBRFZRM-KRWDZBQOSA-N -1 1 415.870 2.864 20 0 HFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000790014345 1077913371 /nfs/dbraw/zinc/91/33/71/1077913371.db2.gz VSBKASYLZPFDJP-GJZGRUSLSA-N -1 1 423.439 2.881 20 0 HFADMM CCC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](O)c1ccccc1 ZINC000792577532 1077915218 /nfs/dbraw/zinc/91/52/18/1077915218.db2.gz AWCAACGALCFXGX-TZIWHRDSSA-N -1 1 406.486 2.701 20 0 HFADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(-c4cn[nH]c4)c3)cc2CC1 ZINC000790067286 1077920385 /nfs/dbraw/zinc/92/03/85/1077920385.db2.gz DAJHPNPUYZIDMW-UHFFFAOYSA-N -1 1 410.499 2.825 20 0 HFADMM C[C@@H]1CN(c2ccnc(C(=O)Nc3nc(Br)ccc3[O-])c2)C[C@H](C)O1 ZINC000790047149 1077928216 /nfs/dbraw/zinc/92/82/16/1077928216.db2.gz YCKHOGJTGMOYPN-PHIMTYICSA-N -1 1 407.268 2.811 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000790048106 1077928875 /nfs/dbraw/zinc/92/88/75/1077928875.db2.gz QNAHGSGYPSHSCH-NSHDSACASA-N -1 1 413.858 2.619 20 0 HFADMM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)C2=O)cc1 ZINC000790229533 1077980904 /nfs/dbraw/zinc/98/09/04/1077980904.db2.gz TVFKAKZPEUDEBM-QGZVFWFLSA-N -1 1 405.520 2.896 20 0 HFADMM COC(=O)CN1CCN(c2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000792781958 1078000043 /nfs/dbraw/zinc/00/00/43/1078000043.db2.gz MBQNGCLEVPKXEQ-UHFFFAOYSA-N -1 1 418.881 2.985 20 0 HFADMM O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000792806591 1078000829 /nfs/dbraw/zinc/00/08/29/1078000829.db2.gz DVYWQXIVHVNNRR-UHFFFAOYSA-N -1 1 423.759 2.931 20 0 HFADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1)C(F)(F)F ZINC000790350152 1078001428 /nfs/dbraw/zinc/00/14/28/1078001428.db2.gz FIBJTSUYIKNEFG-UHFFFAOYSA-N -1 1 413.377 2.725 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000792834799 1078008637 /nfs/dbraw/zinc/00/86/37/1078008637.db2.gz WMIIGGCMRZBPDG-OAHLLOKOSA-N -1 1 403.504 2.926 20 0 HFADMM Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1S(N)(=O)=O ZINC000790389999 1078012569 /nfs/dbraw/zinc/01/25/69/1078012569.db2.gz OEKGSQYKAPGHLR-UHFFFAOYSA-N -1 1 408.423 2.548 20 0 HFADMM Cc1nc(CS(=O)(=O)[N-]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000790392104 1078013460 /nfs/dbraw/zinc/01/34/60/1078013460.db2.gz XNAYGHGYXYZECX-ZDUSSCGKSA-N -1 1 414.858 2.974 20 0 HFADMM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)[nH]1 ZINC000790398947 1078025295 /nfs/dbraw/zinc/02/52/95/1078025295.db2.gz WTJWEUXNFVDFQI-UHFFFAOYSA-N -1 1 417.303 2.795 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc3c2OCCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806223305 1079507827 /nfs/dbraw/zinc/50/78/27/1079507827.db2.gz VWEDZFPGHKCDAD-MJVIPROJSA-N -1 1 401.385 2.767 20 0 HFADMM COc1ccc(NC(=O)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000806311423 1079565918 /nfs/dbraw/zinc/56/59/18/1079565918.db2.gz JZIBKBCAEIZOON-SCLBCKFNSA-N -1 1 407.492 2.619 20 0 HFADMM CC(=O)N(C)c1cccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000806323835 1079595344 /nfs/dbraw/zinc/59/53/44/1079595344.db2.gz APICDFXXKAZKBL-MKBNYLNASA-N -1 1 414.428 2.979 20 0 HFADMM CN1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806490311 1079739641 /nfs/dbraw/zinc/73/96/41/1079739641.db2.gz FKDVYNGZJUWCDG-SJORKVTESA-N -1 1 402.861 2.701 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)Nc3ccc4c(c3)CCN4C(=O)c3cccnc3)ccnc1-2 ZINC000806493449 1079743526 /nfs/dbraw/zinc/74/35/26/1079743526.db2.gz YVKGSISHRUDUCI-UHFFFAOYSA-N -1 1 413.441 2.584 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806494360 1079744007 /nfs/dbraw/zinc/74/40/07/1079744007.db2.gz OXYTZFNDASRVKT-UHXUCMFUSA-N -1 1 417.432 2.581 20 0 HFADMM CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806482255 1079767438 /nfs/dbraw/zinc/76/74/38/1079767438.db2.gz MDELMAYPPIMGMK-OAHLLOKOSA-N -1 1 424.505 2.520 20 0 HFADMM CN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000806482484 1079769362 /nfs/dbraw/zinc/76/93/62/1079769362.db2.gz YNTORVOPWYHNGB-YIONKMFJSA-N -1 1 414.510 2.736 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCCOc3ncc(C(F)(F)F)cc3Cl)ccnc1-2 ZINC000806486130 1079771953 /nfs/dbraw/zinc/77/19/53/1079771953.db2.gz LGSVVDDDZNLTTI-UHFFFAOYSA-N -1 1 414.775 2.610 20 0 HFADMM COC(=O)[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Cc1ccc2ccccc2c1 ZINC000806485946 1079771972 /nfs/dbraw/zinc/77/19/72/1079771972.db2.gz GFAYYJXZYYKTEZ-GOSISDBHSA-N -1 1 417.469 2.648 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCc4cc(Br)cc(F)c4C3)ccnc1-2 ZINC000806486698 1079773076 /nfs/dbraw/zinc/77/30/76/1079773076.db2.gz DCLKVOIKUHLFEC-UHFFFAOYSA-N -1 1 404.243 2.834 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@@H](c4cccc(C(F)(F)F)c4)C3)ccnc1-2 ZINC000806487982 1079773528 /nfs/dbraw/zinc/77/35/28/1079773528.db2.gz HYVKINOHJBLPEK-MRXNPFEDSA-N -1 1 405.380 2.966 20 0 HFADMM C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806512334 1079787834 /nfs/dbraw/zinc/78/78/34/1079787834.db2.gz VXQYAIQBVVGXTD-ZWUHOBOKSA-N -1 1 401.429 2.810 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=S)NC1CC1 ZINC000806602230 1079843905 /nfs/dbraw/zinc/84/39/05/1079843905.db2.gz XOMWGLIUCSREKJ-ZFWWWQNUSA-N -1 1 401.454 2.916 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1Oc1ccccc1 ZINC000806881606 1080079431 /nfs/dbraw/zinc/07/94/31/1080079431.db2.gz BJFOEMPZEMLEIW-HNNXBMFYSA-N -1 1 415.453 2.950 20 0 HFADMM Cc1c2ccccc2oc1[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(C)C ZINC000806896219 1080103375 /nfs/dbraw/zinc/10/33/75/1080103375.db2.gz DZSHQJYDSSWWGM-GOSISDBHSA-N -1 1 405.458 2.848 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000806959170 1080125804 /nfs/dbraw/zinc/12/58/04/1080125804.db2.gz LTJQKTJUTHNLKW-CQSZACIVSA-N -1 1 417.444 2.964 20 0 HFADMM Cc1cccc(C(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c2cccc(C)c2)c1 ZINC000806935398 1080143069 /nfs/dbraw/zinc/14/30/69/1080143069.db2.gz DOZYZCYNGOULJH-UHFFFAOYSA-N -1 1 413.481 2.803 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc(COc4cccc(F)c4)c3)ccnc1-2 ZINC000807000987 1080178545 /nfs/dbraw/zinc/17/85/45/1080178545.db2.gz LUIYPLBPGCYYPD-UHFFFAOYSA-N -1 1 419.416 2.637 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)ccnc1-2 ZINC000807003577 1080180639 /nfs/dbraw/zinc/18/06/39/1080180639.db2.gz UCTAUWAUXNSZPJ-UHFFFAOYSA-N -1 1 413.865 2.894 20 0 HFADMM O=C(Nc1ccc(Cl)cc1-c1cccc2ccccc21)C(=O)NN1CC(=O)[N-]C1=O ZINC000807063686 1080245611 /nfs/dbraw/zinc/24/56/11/1080245611.db2.gz XTJMXPYSBMXWBX-UHFFFAOYSA-N -1 1 422.828 2.682 20 0 HFADMM COC(=O)c1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)[C@H](C)C2)cc1 ZINC000747376045 1080360762 /nfs/dbraw/zinc/36/07/62/1080360762.db2.gz UNTDJAXQJHSPRZ-CQSZACIVSA-N -1 1 412.490 2.752 20 0 HFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130905282 1080495533 /nfs/dbraw/zinc/49/55/33/1080495533.db2.gz KPGKZHXOIOZBCS-DBWOOVFOSA-N -1 1 418.456 2.658 20 0 HFADMM CCN(CC)[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000790516191 1078048758 /nfs/dbraw/zinc/04/87/58/1078048758.db2.gz ZJHZFQYNLQZMDG-LJQANCHMSA-N -1 1 406.504 2.755 20 0 HFADMM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000790604595 1078065677 /nfs/dbraw/zinc/06/56/77/1078065677.db2.gz SLFMKOSRYXLFAQ-ZDUSSCGKSA-N -1 1 400.266 2.512 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000746935537 1078077384 /nfs/dbraw/zinc/07/73/84/1078077384.db2.gz MJXSKEXJEIVAJI-SPLOXXLWSA-N -1 1 416.522 2.953 20 0 HFADMM Cc1ccc(CNC(=O)[C@@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000746935289 1078078391 /nfs/dbraw/zinc/07/83/91/1078078391.db2.gz PUUXJWUJJIMFDR-MRXNPFEDSA-N -1 1 410.474 2.541 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000746935081 1078078719 /nfs/dbraw/zinc/07/87/19/1078078719.db2.gz JMDZTFGDJVQUDO-SJLPKXTDSA-N -1 1 414.506 2.709 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000746935080 1078078842 /nfs/dbraw/zinc/07/88/42/1078078842.db2.gz JMDZTFGDJVQUDO-FUHWJXTLSA-N -1 1 414.506 2.709 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000746937304 1078084288 /nfs/dbraw/zinc/08/42/88/1078084288.db2.gz VVFSIUOYNZBXRN-QKKBWIMNSA-N -1 1 416.522 2.811 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000746937148 1078084840 /nfs/dbraw/zinc/08/48/40/1078084840.db2.gz UTJLYVYMHRVREM-ZHCAMHROSA-N -1 1 416.522 2.857 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000746937921 1078090257 /nfs/dbraw/zinc/09/02/57/1078090257.db2.gz YRNOAGSXOGVEMK-OAHLLOKOSA-N -1 1 410.474 2.747 20 0 HFADMM O=C([N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(F)(F)C1CCOCC1 ZINC000790645777 1078092399 /nfs/dbraw/zinc/09/23/99/1078092399.db2.gz ZLMZOSHFFSEJRI-AWEZNQCLSA-N -1 1 406.351 2.989 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1 ZINC000793354397 1078145807 /nfs/dbraw/zinc/14/58/07/1078145807.db2.gz WBDBQFLUKFUZEF-UHFFFAOYSA-N -1 1 418.471 2.547 20 0 HFADMM CNC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)ccc1Cl ZINC000793368054 1078149919 /nfs/dbraw/zinc/14/99/19/1078149919.db2.gz PLMVKKLYVWLBDY-UHFFFAOYSA-N -1 1 414.842 2.735 20 0 HFADMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)C1 ZINC000793347343 1078154993 /nfs/dbraw/zinc/15/49/93/1078154993.db2.gz XGRCLZSQSYLZNG-NSHDSACASA-N -1 1 404.891 2.672 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c(C)cc1F ZINC000793352887 1078156829 /nfs/dbraw/zinc/15/68/29/1078156829.db2.gz LJTIWLWSJSSYIJ-UHFFFAOYSA-N -1 1 406.435 2.848 20 0 HFADMM CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793407326 1078157940 /nfs/dbraw/zinc/15/79/40/1078157940.db2.gz YCWRVKFXRPOGLZ-UHFFFAOYSA-N -1 1 424.450 2.734 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(C)cc1F ZINC000793392407 1078164787 /nfs/dbraw/zinc/16/47/87/1078164787.db2.gz LOLDEHKNNQMJSQ-UHFFFAOYSA-N -1 1 406.435 2.996 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(F)c2)c(C)cc1F ZINC000793395662 1078166309 /nfs/dbraw/zinc/16/63/09/1078166309.db2.gz USHLMNDDVRJTSH-UHFFFAOYSA-N -1 1 424.425 2.987 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)c1 ZINC000793396253 1078166500 /nfs/dbraw/zinc/16/65/00/1078166500.db2.gz XEVSUTZAXJKKQK-UHFFFAOYSA-N -1 1 417.443 2.779 20 0 HFADMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)ccc1F ZINC000793429508 1078169954 /nfs/dbraw/zinc/16/99/54/1078169954.db2.gz IGLWDXFNQUJWAO-UHFFFAOYSA-N -1 1 413.402 2.612 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)NCc2nnc(C3CC3)o2)c1)OCC(F)(F)F ZINC000793872666 1078330356 /nfs/dbraw/zinc/33/03/56/1078330356.db2.gz MJALCZQSMMDYBG-UHFFFAOYSA-N -1 1 400.313 2.693 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2COC ZINC000793913180 1078336512 /nfs/dbraw/zinc/33/65/12/1078336512.db2.gz XMMZVNHDFCQIKS-UHFFFAOYSA-N -1 1 417.487 2.584 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@]3(C)CCOC3=O)cc2)cc1C ZINC000794081906 1078368568 /nfs/dbraw/zinc/36/85/68/1078368568.db2.gz AUXVBQZEEJCKIY-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@]3(C)CCOC3=O)c2)c1 ZINC000794087149 1078378274 /nfs/dbraw/zinc/37/82/74/1078378274.db2.gz NQMHHLCBIAXMEE-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOCCSC)c2)cc1 ZINC000794190126 1078383265 /nfs/dbraw/zinc/38/32/65/1078383265.db2.gz RITJBMJYYFRZAC-UHFFFAOYSA-N -1 1 410.517 2.911 20 0 HFADMM COc1cc(Cl)ccc1OC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC001129831576 1078525039 /nfs/dbraw/zinc/52/50/39/1078525039.db2.gz FCKOSIZSSLZZBI-UHFFFAOYSA-N -1 1 407.854 2.527 20 0 HFADMM Cc1ccccc1[C@@H](O)C1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000804511704 1078571962 /nfs/dbraw/zinc/57/19/62/1078571962.db2.gz QFICSXDBVCJADB-QHCPKHFHSA-N -1 1 408.502 2.875 20 0 HFADMM COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)CCC(=O)N2C)cc1 ZINC001129640120 1078617398 /nfs/dbraw/zinc/61/73/98/1078617398.db2.gz ZACYIRVSRVMLDG-VQIMIIECSA-N -1 1 410.474 2.618 20 0 HFADMM CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)CC1 ZINC000804764237 1078619468 /nfs/dbraw/zinc/61/94/68/1078619468.db2.gz WBNVHQBZXNZZIT-HNNXBMFYSA-N -1 1 409.914 2.813 20 0 HFADMM O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)c1cc(=O)[nH][n-]1 ZINC000804589924 1078625501 /nfs/dbraw/zinc/62/55/01/1078625501.db2.gz LBNSZTFPTGOJFT-UHFFFAOYSA-N -1 1 407.213 2.766 20 0 HFADMM Cc1c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)nnn1-c1ccc(OC(F)F)cc1 ZINC001129758556 1078702537 /nfs/dbraw/zinc/70/25/37/1078702537.db2.gz VGZCCAHZZFGWTR-UHFFFAOYSA-N -1 1 416.388 2.804 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCO[C@H](C)c2ccccc2)c(Br)n1C ZINC000804941398 1078767653 /nfs/dbraw/zinc/76/76/53/1078767653.db2.gz UNTAVWIPLJGLPQ-GFCCVEGCSA-N -1 1 416.341 2.937 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c(Br)n1C ZINC000804944304 1078772253 /nfs/dbraw/zinc/77/22/53/1078772253.db2.gz WUAUHYSBNUHZNH-UHFFFAOYSA-N -1 1 420.304 2.768 20 0 HFADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1nc(C)cs1 ZINC000804988149 1078793150 /nfs/dbraw/zinc/79/31/50/1078793150.db2.gz HFVALXYRVDKGHN-JTQLQIEISA-N -1 1 410.489 2.877 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(OC(C)C)c2)c(Br)n1C ZINC000804958687 1078798271 /nfs/dbraw/zinc/79/82/71/1078798271.db2.gz IMTZLIQPQGBUEB-UHFFFAOYSA-N -1 1 402.314 2.757 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2OC(C)C)c(Br)n1C ZINC000804962130 1078801078 /nfs/dbraw/zinc/80/10/78/1078801078.db2.gz WDZDHVWCVNBGGL-UHFFFAOYSA-N -1 1 402.314 2.757 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)c(Br)n1C ZINC000805021340 1078833090 /nfs/dbraw/zinc/83/30/90/1078833090.db2.gz YKNGCXMKYZTVRO-MRVPVSSYSA-N -1 1 408.268 2.851 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)c(Br)n1C ZINC000805032185 1078836282 /nfs/dbraw/zinc/83/62/82/1078836282.db2.gz WBLPGHKPEYVXQG-NSHDSACASA-N -1 1 424.361 2.526 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(Br)n1C ZINC000805032454 1078844677 /nfs/dbraw/zinc/84/46/77/1078844677.db2.gz MAPNBJMLWZXIBB-JTQLQIEISA-N -1 1 406.689 2.556 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(Br)n1C ZINC000805006820 1078851048 /nfs/dbraw/zinc/85/10/48/1078851048.db2.gz HLSXNKIYTHLHOO-NEPJUHHUSA-N -1 1 408.362 2.611 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c(Br)n1C ZINC000805063633 1078874721 /nfs/dbraw/zinc/87/47/21/1078874721.db2.gz RYMGAWDQHQLUKZ-KGLIPLIRSA-N -1 1 414.325 2.690 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)c(Br)n1C ZINC000805084670 1078914455 /nfs/dbraw/zinc/91/44/55/1078914455.db2.gz RRIYDBPMYSQDCN-CYBMUJFWSA-N -1 1 402.289 2.986 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(Br)n1C ZINC000805086337 1078915736 /nfs/dbraw/zinc/91/57/36/1078915736.db2.gz CTHDUBBJAOYTFB-GZMMTYOYSA-N -1 1 424.242 2.743 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cccc2nccnc21)C(F)(F)F ZINC001130086994 1078923492 /nfs/dbraw/zinc/92/34/92/1078923492.db2.gz KUODGJJZVICOLK-CYBMUJFWSA-N -1 1 400.360 2.880 20 0 HFADMM Cc1ccn2cnc(C(=O)N3c4ccccc4C[C@@H]3C[N-]C(=O)C(F)(F)F)c2c1 ZINC001130087212 1078923932 /nfs/dbraw/zinc/92/39/32/1078923932.db2.gz NZBNWDAZIBIVSF-CQSZACIVSA-N -1 1 402.376 2.893 20 0 HFADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1F ZINC000805137316 1078935267 /nfs/dbraw/zinc/93/52/67/1078935267.db2.gz UVMASQRHKOAINL-ZDUSSCGKSA-N -1 1 419.833 2.807 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)CC(C)C ZINC000805143382 1078943197 /nfs/dbraw/zinc/94/31/97/1078943197.db2.gz IJYNCSDEYUHVLV-HOCLYGCPSA-N -1 1 422.469 2.865 20 0 HFADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805172016 1078957631 /nfs/dbraw/zinc/95/76/31/1078957631.db2.gz KBDFKWSASPSYRI-ARKGTOAJSA-N -1 1 407.477 2.925 20 0 HFADMM COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(NS(C)(=O)=O)c1OC ZINC000805259925 1079001137 /nfs/dbraw/zinc/00/11/37/1079001137.db2.gz NKJUPJPCXAAEDQ-UHFFFAOYSA-N -1 1 418.830 2.826 20 0 HFADMM COc1cnccc1[C@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805322366 1079018825 /nfs/dbraw/zinc/01/88/25/1079018825.db2.gz XLSOAVJBISGASJ-ASHKBJFXSA-N -1 1 402.417 2.638 20 0 HFADMM COc1cnccc1[C@@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805322367 1079018878 /nfs/dbraw/zinc/01/88/78/1079018878.db2.gz XLSOAVJBISGASJ-OXIQGZBJSA-N -1 1 402.417 2.638 20 0 HFADMM CC[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@@H](C)S1(=O)=O ZINC000805396393 1079038640 /nfs/dbraw/zinc/03/86/40/1079038640.db2.gz FMWISVUYDNAPLF-OCCSQVGLSA-N -1 1 412.508 2.777 20 0 HFADMM C[C@H](OC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1nncn1C ZINC000805366936 1079049415 /nfs/dbraw/zinc/04/94/15/1079049415.db2.gz QRTHREOIXMLCES-ZDUSSCGKSA-N -1 1 418.450 2.602 20 0 HFADMM COc1cc(C(=O)[N-]c2ncn(CC(=O)OC(C)(C)C)n2)sc1Br ZINC001130198003 1079066024 /nfs/dbraw/zinc/06/60/24/1079066024.db2.gz WKRARLFHUHOMGZ-UHFFFAOYSA-N -1 1 417.285 2.705 20 0 HFADMM Cn1nccc1COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000747265490 1079222367 /nfs/dbraw/zinc/22/23/67/1079222367.db2.gz KTUKPWKRMLSRBZ-UHFFFAOYSA-N -1 1 407.398 2.856 20 0 HFADMM C[C@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788041 1079255696 /nfs/dbraw/zinc/25/56/96/1079255696.db2.gz GIRLDISTDUTRAZ-MPGHIAIKSA-N -1 1 411.468 2.959 20 0 HFADMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020222 1079394882 /nfs/dbraw/zinc/39/48/82/1079394882.db2.gz QUEOSVSJOHXXQW-ZDUSSCGKSA-N -1 1 409.490 2.867 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(OCC(F)F)nc1 ZINC000806017455 1079391853 /nfs/dbraw/zinc/39/18/53/1079391853.db2.gz CYFNBOHCASCQEN-UHFFFAOYSA-N -1 1 416.384 2.991 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CN(C)C(=O)OC(C)(C)C ZINC000806018561 1079392422 /nfs/dbraw/zinc/39/24/22/1079392422.db2.gz GLBMXQIUPHWGQM-UHFFFAOYSA-N -1 1 402.451 2.505 20 0 HFADMM O=S(=O)([N-]Cc1ccon1)c1c(Br)cc(F)cc1Br ZINC000747292178 1079393040 /nfs/dbraw/zinc/39/30/40/1079393040.db2.gz SFPYINVPJVWCCB-UHFFFAOYSA-N -1 1 414.050 2.817 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000806019659 1079393487 /nfs/dbraw/zinc/39/34/87/1079393487.db2.gz MBZZHUXNUKUKEN-KRWDZBQOSA-N -1 1 412.490 2.675 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000806019077 1079393868 /nfs/dbraw/zinc/39/38/68/1079393868.db2.gz OMBNGFGMBHZRFQ-UHFFFAOYSA-N -1 1 416.437 2.804 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H]3CC(=O)N(C)[C@@H]3C)c2)cc1 ZINC000806063827 1079404338 /nfs/dbraw/zinc/40/43/38/1079404338.db2.gz SPDCXTPFAVXJCA-DNVCBOLYSA-N -1 1 416.499 2.880 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3ccc([O-])c(F)c3)cn2)CC1 ZINC000787335561 1076747033 /nfs/dbraw/zinc/74/70/33/1076747033.db2.gz JQCNCLPSJUBMNG-UHFFFAOYSA-N -1 1 417.441 2.631 20 0 HFADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1nnnn1C ZINC000787620629 1076881901 /nfs/dbraw/zinc/88/19/01/1076881901.db2.gz VGKURSPOMXSSOQ-LLVKDONJSA-N -1 1 421.866 2.582 20 0 HFADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc(N(C)C)cc1 ZINC000787955650 1077007669 /nfs/dbraw/zinc/00/76/69/1077007669.db2.gz LWTIZIQGDHMQNE-CYBMUJFWSA-N -1 1 412.421 2.967 20 0 HFADMM COCN1C(=O)CCc2cc(NC(=O)CCc3c(C)nc(SC)[n-]c3=O)ccc21 ZINC000787941511 1077018180 /nfs/dbraw/zinc/01/81/80/1077018180.db2.gz JUKDBPNTIVCYEC-UHFFFAOYSA-N -1 1 416.503 2.667 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)cc1C ZINC000788118801 1077058692 /nfs/dbraw/zinc/05/86/92/1077058692.db2.gz PJFHSNGYBFIWGX-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOC[C@H]3CCOC3)c2)cc1 ZINC000788118957 1077059116 /nfs/dbraw/zinc/05/91/16/1077059116.db2.gz RCZWDMBIRICGPQ-HNNXBMFYSA-N -1 1 420.487 2.584 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(OC)cc2OCC2CC2)cc1 ZINC000788210826 1077079946 /nfs/dbraw/zinc/07/99/46/1077079946.db2.gz GVLMPSAJKBSIGO-UHFFFAOYSA-N -1 1 413.426 2.606 20 0 HFADMM CC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)ccc1Br ZINC000788490160 1077178447 /nfs/dbraw/zinc/17/84/47/1077178447.db2.gz XSKVHOYZDXUSQO-UHFFFAOYSA-N -1 1 423.288 2.971 20 0 HFADMM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1 ZINC000788493788 1077180767 /nfs/dbraw/zinc/18/07/67/1077180767.db2.gz KWQYKISDFZWUFZ-IZZDOVSWSA-N -1 1 418.471 2.560 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)c(C)c1F ZINC000788503057 1077184142 /nfs/dbraw/zinc/18/41/42/1077184142.db2.gz BCFOVFXBMASUHS-UHFFFAOYSA-N -1 1 421.450 2.778 20 0 HFADMM COC(=O)c1c[n-]c(SCCS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000788505618 1077185480 /nfs/dbraw/zinc/18/54/80/1077185480.db2.gz MMSKTDXMBOXDQB-UHFFFAOYSA-N -1 1 405.295 2.525 20 0 HFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)NOC[C@@H]2CCOC2)c1 ZINC000788592000 1077215543 /nfs/dbraw/zinc/21/55/43/1077215543.db2.gz MQXXZVFXTIUYHN-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(O)(C(C)C)C3)cc2)cc1C ZINC000788616301 1077228936 /nfs/dbraw/zinc/22/89/36/1077228936.db2.gz YAFXBLWOWLGHPQ-UHFFFAOYSA-N -1 1 402.516 2.947 20 0 HFADMM O=C([N-]CC1CCN(C(=O)NCc2ccn(Cc3ccccc3)n2)CC1)C(F)(F)F ZINC000790934126 1077239166 /nfs/dbraw/zinc/23/91/66/1077239166.db2.gz PXPPXVAQBPNPRW-UHFFFAOYSA-N -1 1 423.439 2.532 20 0 HFADMM CCc1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000791010719 1077267185 /nfs/dbraw/zinc/26/71/85/1077267185.db2.gz JAMHOIIIPRAXLJ-UHFFFAOYSA-N -1 1 407.369 2.729 20 0 HFADMM Cc1c(CN(C)C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])cnn1C ZINC000791076116 1077291372 /nfs/dbraw/zinc/29/13/72/1077291372.db2.gz DLNVVPXTSGIGPU-UHFFFAOYSA-N -1 1 400.357 2.817 20 0 HFADMM C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791165829 1077322487 /nfs/dbraw/zinc/32/24/87/1077322487.db2.gz FIKSJCVAHPPLBF-IYBDPMFKSA-N -1 1 421.501 2.762 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3ccc(Cl)c(I)c3)ccnc1-2 ZINC000791168032 1077324798 /nfs/dbraw/zinc/32/47/98/1077324798.db2.gz UMMHVTFRAAADGA-UHFFFAOYSA-N -1 1 412.618 2.852 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n[n-]1 ZINC000791282298 1077369193 /nfs/dbraw/zinc/36/91/93/1077369193.db2.gz FTRABBSQLLQXPH-IQCBXXCUSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]1 ZINC000791282298 1077369200 /nfs/dbraw/zinc/36/92/00/1077369200.db2.gz FTRABBSQLLQXPH-IQCBXXCUSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000791282298 1077369207 /nfs/dbraw/zinc/36/92/07/1077369207.db2.gz FTRABBSQLLQXPH-IQCBXXCUSA-N -1 1 400.435 2.627 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)c3ccccc3)ccnc1-2 ZINC000791285218 1077370182 /nfs/dbraw/zinc/37/01/82/1077370182.db2.gz GFIVAOPEZOKTQC-AHRSYUTCSA-N -1 1 403.486 2.754 20 0 HFADMM CCOC(=O)C1=C(NC(=O)[C@H]2CCN(CC(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000791457039 1077413862 /nfs/dbraw/zinc/41/38/62/1077413862.db2.gz MBJOQQJDHRACDI-ZDUSSCGKSA-N -1 1 424.423 2.980 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)co1 ZINC000791429071 1077416914 /nfs/dbraw/zinc/41/69/14/1077416914.db2.gz BYQWMAPHPABJFB-CYBMUJFWSA-N -1 1 422.242 2.566 20 0 HFADMM CS(=O)(=O)CC[C@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000789108939 1077417419 /nfs/dbraw/zinc/41/74/19/1077417419.db2.gz QMQCOZMOVCHSQT-SFHVURJKSA-N -1 1 416.451 2.760 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@H]3CC(=O)N(C)C3)cc2)ccc1F ZINC000772776642 1077496519 /nfs/dbraw/zinc/49/65/19/1077496519.db2.gz ZNAKAUBZVNYBEB-AWEZNQCLSA-N -1 1 420.462 2.570 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)c2ccc(Br)cc2)o1 ZINC000791984555 1077622696 /nfs/dbraw/zinc/62/26/96/1077622696.db2.gz HGPPVLBLJOWNRH-SNVBAGLBSA-N -1 1 402.266 2.911 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OCC[C@H]2CNC(=O)C2)c1 ZINC000792017906 1077652731 /nfs/dbraw/zinc/65/27/31/1077652731.db2.gz WXJKEVAWVBAYNP-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000789786782 1077795801 /nfs/dbraw/zinc/79/58/01/1077795801.db2.gz VEMHDHCDEMPTMV-SNVBAGLBSA-N -1 1 416.525 2.930 20 0 HFADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000792304739 1077797736 /nfs/dbraw/zinc/79/77/36/1077797736.db2.gz BKBXEZGODIXMKS-UHFFFAOYSA-N -1 1 404.419 2.786 20 0 HFADMM O=C(COC(=O)c1csc(C(F)(F)F)n1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000792332530 1077822404 /nfs/dbraw/zinc/82/24/04/1077822404.db2.gz FTSPVAMGFUOZOV-UHFFFAOYSA-N -1 1 424.303 2.877 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2ccc(F)cc2Br)cc1 ZINC000792454470 1077856526 /nfs/dbraw/zinc/85/65/26/1077856526.db2.gz XAWNXDJQRFPKNF-UHFFFAOYSA-N -1 1 409.255 2.985 20 0 HFADMM CCOC(=O)C1=C(NC(=O)[C@H]2CC(c3cccnc3)=NO2)[N-]c2ccccc2N=C1C ZINC000792527042 1077886943 /nfs/dbraw/zinc/88/69/43/1077886943.db2.gz JQJAZUCNUSIOMN-GOSISDBHSA-N -1 1 419.441 2.684 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1 ZINC000790082984 1077926739 /nfs/dbraw/zinc/92/67/39/1077926739.db2.gz MVWPAGBEVYGRRT-FQEVSTJZSA-N -1 1 415.471 2.721 20 0 HFADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c1 ZINC000790083983 1077927406 /nfs/dbraw/zinc/92/74/06/1077927406.db2.gz SBYYVIVEFCXTAY-FQEVSTJZSA-N -1 1 415.471 2.721 20 0 HFADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])N1C(=O)c2ccc(Br)cc2C1=O ZINC000790049362 1077928952 /nfs/dbraw/zinc/92/89/52/1077928952.db2.gz ZKYZPEWCSNDEDC-SSDOTTSWSA-N -1 1 424.638 2.826 20 0 HFADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1OC ZINC000790051692 1077930846 /nfs/dbraw/zinc/93/08/46/1077930846.db2.gz QIJZMTCKWUUHHY-UHFFFAOYSA-N -1 1 413.883 2.732 20 0 HFADMM CN(CC(=O)Nc1nc(Cl)ccc1[O-])C(=O)c1ccc(Br)s1 ZINC000790063137 1077936379 /nfs/dbraw/zinc/93/63/79/1077936379.db2.gz ONPLAIHUKHKNRL-UHFFFAOYSA-N -1 1 404.673 2.975 20 0 HFADMM Cn1ccc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc2c1=O ZINC000790090042 1077945766 /nfs/dbraw/zinc/94/57/66/1077945766.db2.gz SOFOXEYBKGHEHE-UHFFFAOYSA-N -1 1 410.810 2.830 20 0 HFADMM CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000790126444 1077959793 /nfs/dbraw/zinc/95/97/93/1077959793.db2.gz FOOPOVVCSZAMAF-UHFFFAOYSA-N -1 1 407.511 2.922 20 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1078007733 /nfs/dbraw/zinc/00/77/33/1078007733.db2.gz UYTKYJJADLWXBU-UHFFFAOYSA-N -1 1 412.895 2.995 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)cc1C(=O)[O-] ZINC000790391162 1078012974 /nfs/dbraw/zinc/01/29/74/1078012974.db2.gz VLARAUJCEFUVKD-UHFFFAOYSA-N -1 1 409.807 2.898 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790403842 1078018796 /nfs/dbraw/zinc/01/87/96/1078018796.db2.gz VQHSGWZGYUBOHQ-SFTDATJTSA-N -1 1 406.486 2.557 20 0 HFADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(Cc4nnc5n4CCC5)cc3)ccc2o1 ZINC000790405258 1078019511 /nfs/dbraw/zinc/01/95/11/1078019511.db2.gz IKZAGTHTLHJSIR-UHFFFAOYSA-N -1 1 422.466 2.722 20 0 HFADMM C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000790448641 1078034992 /nfs/dbraw/zinc/03/49/92/1078034992.db2.gz ADOMYGMCQOFTPW-SJCJKPOMSA-N -1 1 420.963 2.825 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)ccnc1-2 ZINC000806492364 1079742546 /nfs/dbraw/zinc/74/25/46/1079742546.db2.gz GRKBQTWZNRITFQ-UKRRQHHQSA-N -1 1 402.499 2.547 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806492873 1079744096 /nfs/dbraw/zinc/74/40/96/1079744096.db2.gz OYKRFEFWPSBCBH-ZDUSSCGKSA-N -1 1 404.396 2.761 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806493855 1079745179 /nfs/dbraw/zinc/74/51/79/1079745179.db2.gz GIKOBQWUCDARPK-MMPTUQATSA-N -1 1 412.412 2.515 20 0 HFADMM CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482940 1079768904 /nfs/dbraw/zinc/76/89/04/1079768904.db2.gz VAXSIGWKKFAQBO-IIBYNOLFSA-N -1 1 421.549 2.810 20 0 HFADMM CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482688 1079769522 /nfs/dbraw/zinc/76/95/22/1079769522.db2.gz OUKOJOPRWDDWDN-HXUWFJFHSA-N -1 1 404.515 2.793 20 0 HFADMM CN(CCC1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1)C(=O)OC(C)(C)C ZINC000806482557 1079769538 /nfs/dbraw/zinc/76/95/38/1079769538.db2.gz NTCLDHYWQAMCSB-UHFFFAOYSA-N -1 1 416.526 2.843 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC(C)(C)COc3ccc(C(F)(F)F)cn3)ccnc1-2 ZINC000806484074 1079769987 /nfs/dbraw/zinc/76/99/87/1079769987.db2.gz BBUSVUGSOICJMC-UHFFFAOYSA-N -1 1 408.384 2.735 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N(CCNC(=O)OC(C)(C)C)Cc3ccccc3)ccnc1-2 ZINC000806487468 1079772352 /nfs/dbraw/zinc/77/23/52/1079772352.db2.gz ZLGYCOCDURKWDD-UHFFFAOYSA-N -1 1 424.505 2.901 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(OCCOc4ccccc4)nc3)ccnc1-2 ZINC000806487504 1079774203 /nfs/dbraw/zinc/77/42/03/1079774203.db2.gz FFVSANJSAHEYEY-UHFFFAOYSA-N -1 1 418.457 2.516 20 0 HFADMM Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc(C(=O)[O-])c1F ZINC000806567822 1079827364 /nfs/dbraw/zinc/82/73/64/1079827364.db2.gz LDTXKOSMCGXBKG-KSSFIOAISA-N -1 1 406.479 2.774 20 0 HFADMM CSc1nc(C)c(CCC(=O)N[C@H](Cc2ccccc2)c2nccn2C)c(=O)[n-]1 ZINC001130676176 1079831870 /nfs/dbraw/zinc/83/18/70/1079831870.db2.gz QLXFOESUDOSWNY-QGZVFWFLSA-N -1 1 411.531 2.979 20 0 HFADMM COc1ccc(CCNC(=S)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806594554 1079836335 /nfs/dbraw/zinc/83/63/35/1079836335.db2.gz JNQNWBOZBOMIBM-XEZPLFJOSA-N -1 1 417.497 2.890 20 0 HFADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cnc(C2OCCO2)s1 ZINC000806737014 1079964526 /nfs/dbraw/zinc/96/45/26/1079964526.db2.gz UCOVAHNEJFGYMD-UHFFFAOYSA-N -1 1 422.264 2.988 20 0 HFADMM O=C(COCc1ccccn1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000806746074 1080000800 /nfs/dbraw/zinc/00/08/00/1080000800.db2.gz AWJDDLXTSKDPIM-UHFFFAOYSA-N -1 1 411.483 2.715 20 0 HFADMM Cc1nc(-c2ccc([C@H](C)NC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)cc2)cs1 ZINC000806839455 1080052009 /nfs/dbraw/zinc/05/20/09/1080052009.db2.gz DBNDPYYHLALWEN-LBPRGKRZSA-N -1 1 420.498 2.590 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)ccnc1-2 ZINC000806852514 1080057216 /nfs/dbraw/zinc/05/72/16/1080057216.db2.gz NIMIUZGEDLWPDZ-MRXNPFEDSA-N -1 1 418.284 2.951 20 0 HFADMM C[C@@H](CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1c(Cl)cccc1Cl ZINC000806882792 1080080298 /nfs/dbraw/zinc/08/02/98/1080080298.db2.gz MYNUAUJWEMGRBI-JTQLQIEISA-N -1 1 406.273 2.507 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Oc2ccccc2)cc1 ZINC000806882406 1080080314 /nfs/dbraw/zinc/08/03/14/1080080314.db2.gz UUBHOCZKFRCXKH-OAHLLOKOSA-N -1 1 415.453 2.950 20 0 HFADMM CC(C)COc1ccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cl ZINC000806999906 1080177966 /nfs/dbraw/zinc/17/79/66/1080177966.db2.gz CKNNSKPOXWZUHZ-UHFFFAOYSA-N -1 1 401.854 2.607 20 0 HFADMM CCc1ccc(NC(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC000807072251 1080255717 /nfs/dbraw/zinc/25/57/17/1080255717.db2.gz KWKATRQHERAPHY-UHFFFAOYSA-N -1 1 419.831 2.758 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000747374408 1080351014 /nfs/dbraw/zinc/35/10/14/1080351014.db2.gz FFOHJXLKYZABAC-HNNXBMFYSA-N -1 1 411.506 2.971 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1CCCC1 ZINC001130902198 1080486881 /nfs/dbraw/zinc/48/68/81/1080486881.db2.gz MDHPMTQHNVYAPH-DZGCQCFKSA-N -1 1 406.445 2.947 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000747390190 1080509478 /nfs/dbraw/zinc/50/94/78/1080509478.db2.gz NCNDVEMEBAQZIB-LBPRGKRZSA-N -1 1 402.524 2.849 20 0 HFADMM CCOC(=O)c1cnc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1C ZINC000807378251 1080575213 /nfs/dbraw/zinc/57/52/13/1080575213.db2.gz YZHYPOWPXJVYRF-UHFFFAOYSA-N -1 1 404.423 2.902 20 0 HFADMM CCc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC000807494133 1080685209 /nfs/dbraw/zinc/68/52/09/1080685209.db2.gz UJARADIHTMQDMH-RBOXIYTFSA-N -1 1 413.440 2.800 20 0 HFADMM CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1F ZINC000807494009 1080685252 /nfs/dbraw/zinc/68/52/52/1080685252.db2.gz SLPLLTAUDFRHQG-PGUXBMHVSA-N -1 1 417.403 2.631 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(=O)[n-]1 ZINC001130979168 1080746932 /nfs/dbraw/zinc/74/69/32/1080746932.db2.gz LXLIKLLZLKXLNK-UHFFFAOYSA-N -1 1 422.551 2.661 20 0 HFADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1N1CCCS1(=O)=O ZINC000747401326 1080765958 /nfs/dbraw/zinc/76/59/58/1080765958.db2.gz HVESUTXOEARCGR-UHFFFAOYSA-N -1 1 404.492 2.715 20 0 HFADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747405116 1080786347 /nfs/dbraw/zinc/78/63/47/1080786347.db2.gz KKFLNIHAZAKEIB-ZDUSSCGKSA-N -1 1 416.444 2.877 20 0 HFADMM COc1ccc2nc(CN[C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])sc2c1 ZINC000426727848 1126083599 /nfs/dbraw/zinc/08/35/99/1126083599.db2.gz QXHPEMKFVJGYGI-NSHDSACASA-N -1 1 400.382 2.763 20 0 HFADMM COc1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c(Cl)c1OC ZINC000426753081 1126087383 /nfs/dbraw/zinc/08/73/83/1126087383.db2.gz GQWNVVGJDGGBHJ-JTQLQIEISA-N -1 1 407.776 2.816 20 0 HFADMM Fc1cccc(O[C@H]2C[C@H]3CN(c4nc[n-]c5nc(=S)sc4-5)CCN3C2)c1 ZINC001164906827 721550098 /nfs/dbraw/zinc/55/00/98/721550098.db2.gz LMVYHNBDPIWHCS-JSGCOSHPSA-N -1 1 403.508 2.856 20 0 HFADMM O=C([O-])C1(NC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCCC1 ZINC000780569562 939133691 /nfs/dbraw/zinc/13/36/91/939133691.db2.gz UAAHWHVUFZHSLJ-UHFFFAOYSA-N -1 1 408.930 2.549 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000746935259 1078078450 /nfs/dbraw/zinc/07/84/50/1078078450.db2.gz OPUSUEZHWIMXJE-IBGZPJMESA-N -1 1 422.485 2.721 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnc[nH]3)c2)c(Br)c1 ZINC000793165416 1078086261 /nfs/dbraw/zinc/08/62/61/1078086261.db2.gz XHHPLCIAWPNZLM-UHFFFAOYSA-N -1 1 421.276 2.661 20 0 HFADMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746937004 1078088010 /nfs/dbraw/zinc/08/80/10/1078088010.db2.gz TVFZRCZSWJTWBK-KRWDZBQOSA-N -1 1 424.501 2.583 20 0 HFADMM CCCCCCn1cc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c(=O)[nH]c1=O ZINC000790648251 1078092989 /nfs/dbraw/zinc/09/29/89/1078092989.db2.gz YQJUIFPUHUIMNB-UHFFFAOYSA-N -1 1 405.480 2.515 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000746936012 1078096262 /nfs/dbraw/zinc/09/62/62/1078096262.db2.gz XCNWGWHQWPJZSO-LBPRGKRZSA-N -1 1 418.400 2.833 20 0 HFADMM Cc1cc(S(=O)(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc(C(=O)[O-])c1Cl ZINC000793345974 1078132303 /nfs/dbraw/zinc/13/23/03/1078132303.db2.gz NVFJEUOKCBZFIW-GFCCVEGCSA-N -1 1 400.928 2.842 20 0 HFADMM CC(=O)c1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c(Cl)cc1Cl ZINC000793322365 1078137048 /nfs/dbraw/zinc/13/70/48/1078137048.db2.gz VVSSFCYWYLHGIF-UHFFFAOYSA-N -1 1 412.254 2.962 20 0 HFADMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000793394889 1078165562 /nfs/dbraw/zinc/16/55/62/1078165562.db2.gz PCDHEQJYZZIOHA-UHFFFAOYSA-N -1 1 403.884 2.992 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C(N)=O)c2)c(C)cc1F ZINC000793429307 1078170017 /nfs/dbraw/zinc/17/00/17/1078170017.db2.gz FFXDPCPXYMNJOF-UHFFFAOYSA-N -1 1 424.450 2.608 20 0 HFADMM Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)n[nH]2)cc1C ZINC000790887642 1078171366 /nfs/dbraw/zinc/17/13/66/1078171366.db2.gz BEPMRQCPDWABMT-QFIPXVFZSA-N -1 1 403.442 2.806 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1 ZINC000793463048 1078179955 /nfs/dbraw/zinc/17/99/55/1078179955.db2.gz BCSSMQYVNQYRQN-UHFFFAOYSA-N -1 1 403.460 2.505 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000793464359 1078180942 /nfs/dbraw/zinc/18/09/42/1078180942.db2.gz PWCHFNWXKBCWCI-CYBMUJFWSA-N -1 1 424.450 2.760 20 0 HFADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000793467606 1078181939 /nfs/dbraw/zinc/18/19/39/1078181939.db2.gz JINAQRMZWXRRPN-MFKMUULPSA-N -1 1 412.330 2.656 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000794127005 1078375684 /nfs/dbraw/zinc/37/56/84/1078375684.db2.gz VDMSBMSFVHNJOL-OAHLLOKOSA-N -1 1 419.286 2.669 20 0 HFADMM C[C@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCOC1=O ZINC000794088029 1078371213 /nfs/dbraw/zinc/37/12/13/1078371213.db2.gz PGAVBZIVFIIIOI-SFHVURJKSA-N -1 1 408.863 2.576 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@]3(C)CCOC3=O)cc2)c1 ZINC000794087692 1078378334 /nfs/dbraw/zinc/37/83/34/1078378334.db2.gz XCRKWTFESZXPGT-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM C[C@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000794319798 1078412401 /nfs/dbraw/zinc/41/24/01/1078412401.db2.gz ZAHSGCFUNVELRE-APPDUMDISA-N -1 1 418.368 2.523 20 0 HFADMM CC(C)(NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)N1CCCC1 ZINC000794409308 1078428760 /nfs/dbraw/zinc/42/87/60/1078428760.db2.gz SSBBVZZWYFROEV-UHFFFAOYSA-N -1 1 415.515 2.618 20 0 HFADMM CCN1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@@H](C)C1 ZINC000804380929 1078440197 /nfs/dbraw/zinc/44/01/97/1078440197.db2.gz YBJNLJJKVWYMSS-INIZCTEOSA-N -1 1 402.564 2.798 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)co1 ZINC000804417620 1078468312 /nfs/dbraw/zinc/46/83/12/1078468312.db2.gz YXJRUFZQVAQURJ-LJQANCHMSA-N -1 1 414.483 2.564 20 0 HFADMM C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000804440203 1078504739 /nfs/dbraw/zinc/50/47/39/1078504739.db2.gz VGELHELVXCDKGE-HOCLYGCPSA-N -1 1 405.495 2.674 20 0 HFADMM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3O)cc2)n1 ZINC001129531020 1078522428 /nfs/dbraw/zinc/52/24/28/1078522428.db2.gz SCYUOFVLGUZSSE-UHFFFAOYSA-N -1 1 402.407 2.683 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C/c3ccccc3OCc3ccccc3)nc2n1 ZINC001129519033 1078531322 /nfs/dbraw/zinc/53/13/22/1078531322.db2.gz DXDCRQNRBAOKKK-VAWYXSNFSA-N -1 1 401.426 2.957 20 0 HFADMM O=C([N-]c1ncc(-c2cnccn2)s1)c1sccc1S(=O)(=O)C(F)F ZINC001129877464 1078549538 /nfs/dbraw/zinc/54/95/38/1078549538.db2.gz NXLHJMCQHWZFLV-UHFFFAOYSA-N -1 1 402.429 2.910 20 0 HFADMM CC[C@](NC(=O)c1ccc2n[n-]c(=S)n2c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000804547316 1078573237 /nfs/dbraw/zinc/57/32/37/1078573237.db2.gz GDLBEXOFBPYZMG-GOSISDBHSA-N -1 1 404.879 2.880 20 0 HFADMM CO[C@H](Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001129896818 1078591194 /nfs/dbraw/zinc/59/11/94/1078591194.db2.gz VGEZVQTZWJOGCA-FUHWJXTLSA-N -1 1 406.404 2.881 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC001129934673 1078598951 /nfs/dbraw/zinc/59/89/51/1078598951.db2.gz JMHGOYOCWZBBAZ-XMMPIXPASA-N -1 1 424.545 2.787 20 0 HFADMM CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)CC1 ZINC000804759975 1078610539 /nfs/dbraw/zinc/61/05/39/1078610539.db2.gz DEXCOZMJSPIUGL-CQSZACIVSA-N -1 1 409.914 2.813 20 0 HFADMM COc1ccccc1C1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000804978476 1078813677 /nfs/dbraw/zinc/81/36/77/1078813677.db2.gz UICYQISEEXJJOY-UHFFFAOYSA-N -1 1 414.325 2.510 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)c(Br)n1C ZINC000804968474 1078804488 /nfs/dbraw/zinc/80/44/88/1078804488.db2.gz FLHHVCOEHAPQBR-HNNXBMFYSA-N -1 1 421.320 2.954 20 0 HFADMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)on1 ZINC000805015525 1078826038 /nfs/dbraw/zinc/82/60/38/1078826038.db2.gz LPERSEQDIPNZFO-UHFFFAOYSA-N -1 1 405.318 2.861 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c(Br)n1C ZINC000804983146 1078820998 /nfs/dbraw/zinc/82/09/98/1078820998.db2.gz KEIXCFFRKMZHPN-ZIAGYGMSSA-N -1 1 414.325 2.690 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c(Br)n1C ZINC000804985643 1078822287 /nfs/dbraw/zinc/82/22/87/1078822287.db2.gz CSARDHADIFSZTH-UHFFFAOYSA-N -1 1 424.267 2.613 20 0 HFADMM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)n2)c1 ZINC000805021088 1078833002 /nfs/dbraw/zinc/83/30/02/1078833002.db2.gz UNNDTNXIFUQDAP-VIFPVBQESA-N -1 1 412.830 2.972 20 0 HFADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCCC2 ZINC000805027711 1078839841 /nfs/dbraw/zinc/83/98/41/1078839841.db2.gz PUDKMDNKWNUNLR-QWHCGFSZSA-N -1 1 420.373 2.897 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)c(Br)n1C ZINC000805027060 1078840294 /nfs/dbraw/zinc/84/02/94/1078840294.db2.gz DPPGVUNCAQRHPJ-UHFFFAOYSA-N -1 1 411.325 2.802 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)c(Br)n1C ZINC000805051345 1078864920 /nfs/dbraw/zinc/86/49/20/1078864920.db2.gz JTIFVKQKAIWRDJ-UHFFFAOYSA-N -1 1 417.329 2.542 20 0 HFADMM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805053819 1078866453 /nfs/dbraw/zinc/86/64/53/1078866453.db2.gz FDEWGQGZXQPUCB-KGLIPLIRSA-N -1 1 414.325 2.724 20 0 HFADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805053156 1078866794 /nfs/dbraw/zinc/86/67/94/1078866794.db2.gz JHGUCAFNAAJBKS-NOZJJQNGSA-N -1 1 420.304 2.685 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(Br)n1C ZINC000805036087 1078883008 /nfs/dbraw/zinc/88/30/08/1078883008.db2.gz ZLCVMLSOTZSNCF-JTQLQIEISA-N -1 1 406.689 2.556 20 0 HFADMM COC(=O)c1ccccc1CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130087776 1078924311 /nfs/dbraw/zinc/92/43/11/1078924311.db2.gz STOCSKKWEROQKM-OAHLLOKOSA-N -1 1 420.387 2.652 20 0 HFADMM Cn1nc(C(C)(C)C)cc1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130087929 1078924544 /nfs/dbraw/zinc/92/45/44/1078924544.db2.gz VLYBKMNFIOVFNL-ZDUSSCGKSA-N -1 1 408.424 2.968 20 0 HFADMM COCC[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccco1 ZINC000805273433 1079004244 /nfs/dbraw/zinc/00/42/44/1079004244.db2.gz OXJFPNPXOOOHNC-XPCVCDNBSA-N -1 1 405.417 2.844 20 0 HFADMM COC(=O)c1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(Br)c1 ZINC000747239990 1079051769 /nfs/dbraw/zinc/05/17/69/1079051769.db2.gz GYTOPZZWUMPNRF-UHFFFAOYSA-N -1 1 403.254 2.850 20 0 HFADMM COC(=O)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(Br)c1 ZINC000747239990 1079051776 /nfs/dbraw/zinc/05/17/76/1079051776.db2.gz GYTOPZZWUMPNRF-UHFFFAOYSA-N -1 1 403.254 2.850 20 0 HFADMM CCc1cc2c(COC(=O)c3ccc(C(N)=O)c(Cl)n3)cc(=O)oc2cc1[O-] ZINC000805572265 1079142203 /nfs/dbraw/zinc/14/22/03/1079142203.db2.gz DUQLYKWDQSSYAJ-UHFFFAOYSA-N -1 1 402.790 2.565 20 0 HFADMM O=C(COC(=O)c1cn[n-]n1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000805604456 1079151423 /nfs/dbraw/zinc/15/14/23/1079151423.db2.gz JSXXRIVZKDPKOL-OAHLLOKOSA-N -1 1 405.370 2.679 20 0 HFADMM COc1ccc(CN(C(=O)COC(=O)c2cn[n-]n2)[C@@H](C)Cc2cccs2)cc1 ZINC000805607303 1079153534 /nfs/dbraw/zinc/15/35/34/1079153534.db2.gz JOBVQKBQPSQQMQ-AWEZNQCLSA-N -1 1 414.487 2.692 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)Cc1ccc([S@](C)=O)cc1 ZINC000806016920 1079389833 /nfs/dbraw/zinc/38/98/33/1079389833.db2.gz OHVIWZBWCAZXTJ-LJAQVGFWSA-N -1 1 411.483 2.618 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H](C)OC[C@H]1CCCCO1 ZINC000806016620 1079390258 /nfs/dbraw/zinc/39/02/58/1079390258.db2.gz YEVKPGSQNRKJMZ-HZPDHXFCSA-N -1 1 401.463 2.613 20 0 HFADMM Cc1c(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)nnn1-c1ccccc1 ZINC000806016508 1079390708 /nfs/dbraw/zinc/39/07/08/1079390708.db2.gz FWPKCTMJKMMZEC-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CCCCN1C(=O)C(C)C ZINC000806016038 1079391048 /nfs/dbraw/zinc/39/10/48/1079391048.db2.gz ITIPJFGIOXAZEE-SFHVURJKSA-N -1 1 412.490 2.675 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000806019928 1079393891 /nfs/dbraw/zinc/39/38/91/1079393891.db2.gz NKHWUZWSSJWIPB-MRXNPFEDSA-N -1 1 424.501 2.820 20 0 HFADMM Cc1c(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cnn1-c1ccccn1 ZINC000806020966 1079394263 /nfs/dbraw/zinc/39/42/63/1079394263.db2.gz ZHIPKRKORBZNED-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM CC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806163670 1079474290 /nfs/dbraw/zinc/47/42/90/1079474290.db2.gz UPFGPRYPYWUJJM-PGUXBMHVSA-N -1 1 400.401 2.954 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1nnnn1C1CCCCC1 ZINC000787669377 1076905196 /nfs/dbraw/zinc/90/51/96/1076905196.db2.gz BMLCEQLLPVBGKT-ZDUSSCGKSA-N -1 1 407.496 2.858 20 0 HFADMM CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000787800107 1076949343 /nfs/dbraw/zinc/94/93/43/1076949343.db2.gz FSVLDGQSSPDREO-UHFFFAOYSA-N -1 1 405.398 2.603 20 0 HFADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])N1CCc2sccc2C1 ZINC000787954208 1077007554 /nfs/dbraw/zinc/00/75/54/1077007554.db2.gz DRMLFHCUWUWDTJ-UHFFFAOYSA-N -1 1 401.419 2.520 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)cc1 ZINC000788116523 1077058080 /nfs/dbraw/zinc/05/80/80/1077058080.db2.gz BMYQCDFIOGRDOA-HNNXBMFYSA-N -1 1 420.487 2.584 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)cc1C ZINC000788118798 1077058610 /nfs/dbraw/zinc/05/86/10/1077058610.db2.gz PJFHSNGYBFIWGX-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOC[C@@H]3CCOC3)c2)cc1 ZINC000788118961 1077059080 /nfs/dbraw/zinc/05/90/80/1077059080.db2.gz RCZWDMBIRICGPQ-OAHLLOKOSA-N -1 1 420.487 2.584 20 0 HFADMM CSc1nc(CNC(=O)c2cc(Br)c3nccnc3c2)cc(=O)[n-]1 ZINC001143619989 1077083739 /nfs/dbraw/zinc/08/37/39/1077083739.db2.gz IWUBWMQSGCZXSE-UHFFFAOYSA-N -1 1 406.265 2.540 20 0 HFADMM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)c3cccc4ncccc43)c2)C1=O ZINC000788498975 1077182658 /nfs/dbraw/zinc/18/26/58/1077182658.db2.gz OFSCMPGPWPILGD-UHFFFAOYSA-N -1 1 410.455 2.870 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@H]3CCOC3)c2)cc1 ZINC000788573163 1077209958 /nfs/dbraw/zinc/20/99/58/1077209958.db2.gz XXSMDIOTJBNZJP-HNNXBMFYSA-N -1 1 420.487 2.584 20 0 HFADMM O=C([N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C(F)(F)C1CCOCC1 ZINC000790909835 1077245606 /nfs/dbraw/zinc/24/56/06/1077245606.db2.gz UZVLLEJWEXAFSJ-CYBMUJFWSA-N -1 1 406.351 2.989 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3cnn(C)c3C3CC3)c2)n1 ZINC000788665667 1077259805 /nfs/dbraw/zinc/25/98/05/1077259805.db2.gz HWUJRMNOAWTKSF-UHFFFAOYSA-N -1 1 409.450 2.581 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(Br)o1 ZINC000788705850 1077265377 /nfs/dbraw/zinc/26/53/77/1077265377.db2.gz AYOSOLSCGWUURD-WDEREUQCSA-N -1 1 418.240 2.802 20 0 HFADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(=O)[nH]c1=O ZINC000788710920 1077267730 /nfs/dbraw/zinc/26/77/30/1077267730.db2.gz LCRAOKTZUDFYLQ-JKSUJKDBSA-N -1 1 409.483 2.503 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)c1 ZINC000788745913 1077288177 /nfs/dbraw/zinc/28/81/77/1077288177.db2.gz NJXZURDRUNFTKD-UHFFFAOYSA-N -1 1 404.444 2.929 20 0 HFADMM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791165359 1077322662 /nfs/dbraw/zinc/32/26/62/1077322662.db2.gz FIKSJCVAHPPLBF-HZPDHXFCSA-N -1 1 421.501 2.762 20 0 HFADMM COc1cc(CCC(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1OCC(F)(F)F ZINC000791165981 1077323022 /nfs/dbraw/zinc/32/30/22/1077323022.db2.gz IVLXBFVISHQASF-UHFFFAOYSA-N -1 1 408.380 2.863 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)ccnc1-2 ZINC000791166994 1077324228 /nfs/dbraw/zinc/32/42/28/1077324228.db2.gz MQLJTUHJQFOLQE-UHFFFAOYSA-N -1 1 412.453 2.909 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)n[n-]1 ZINC000791168455 1077324724 /nfs/dbraw/zinc/32/47/24/1077324724.db2.gz OLHAYXAYYFBXRI-KRWDZBQOSA-N -1 1 400.479 2.753 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)[n-]1 ZINC000791168455 1077324729 /nfs/dbraw/zinc/32/47/29/1077324729.db2.gz OLHAYXAYYFBXRI-KRWDZBQOSA-N -1 1 400.479 2.753 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)n1 ZINC000791168455 1077324734 /nfs/dbraw/zinc/32/47/34/1077324734.db2.gz OLHAYXAYYFBXRI-KRWDZBQOSA-N -1 1 400.479 2.753 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)n[n-]1 ZINC000791168459 1077324826 /nfs/dbraw/zinc/32/48/26/1077324826.db2.gz OLRPTBHXAGPIDZ-LLVKDONJSA-N -1 1 404.858 2.800 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)[n-]1 ZINC000791168459 1077324830 /nfs/dbraw/zinc/32/48/30/1077324830.db2.gz OLRPTBHXAGPIDZ-LLVKDONJSA-N -1 1 404.858 2.800 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)n1 ZINC000791168459 1077324836 /nfs/dbraw/zinc/32/48/36/1077324836.db2.gz OLRPTBHXAGPIDZ-LLVKDONJSA-N -1 1 404.858 2.800 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)ccnc1-2 ZINC000791288210 1077371354 /nfs/dbraw/zinc/37/13/54/1077371354.db2.gz YIDJWBFEFTYERT-UHFFFAOYSA-N -1 1 400.851 2.776 20 0 HFADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2nc(Br)ccc2F)c1 ZINC000791606725 1077503721 /nfs/dbraw/zinc/50/37/21/1077503721.db2.gz KMSSZDUKAZEBQB-UHFFFAOYSA-N -1 1 420.235 2.625 20 0 HFADMM COc1ccc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c(OCCC(C)C)c1 ZINC000791874384 1077594414 /nfs/dbraw/zinc/59/44/14/1077594414.db2.gz PBYSONZJHDJRJU-UHFFFAOYSA-N -1 1 414.462 2.559 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC[C@@H]3CNC(=O)C3)c2)c1 ZINC000791999575 1077642309 /nfs/dbraw/zinc/64/23/09/1077642309.db2.gz HACGBIZCULFPCJ-INIZCTEOSA-N -1 1 416.499 2.787 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000789923410 1077848942 /nfs/dbraw/zinc/84/89/42/1077848942.db2.gz VUIJCGKQYAWISL-JTQLQIEISA-N -1 1 400.298 2.580 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(Cl)ccc3[O-])CC2)cc1 ZINC000789930220 1077851403 /nfs/dbraw/zinc/85/14/03/1077851403.db2.gz KCUALRPYLZIACT-UHFFFAOYSA-N -1 1 409.895 2.788 20 0 HFADMM Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000789941849 1077861529 /nfs/dbraw/zinc/86/15/29/1077861529.db2.gz MQPQFRGWPVYRKA-BZNIZROVSA-N -1 1 423.878 2.885 20 0 HFADMM O=S(=O)([N-]CC1OCCCO1)c1cc(Br)c(Cl)cc1Cl ZINC000790006961 1077882734 /nfs/dbraw/zinc/88/27/34/1077882734.db2.gz FKLSLPVIMLQOEF-UHFFFAOYSA-N -1 1 405.097 2.797 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C(=O)N(C)C)c2)c1 ZINC000792517862 1077883805 /nfs/dbraw/zinc/88/38/05/1077883805.db2.gz SUDSBFKSZWDOLE-ZDUSSCGKSA-N -1 1 423.922 2.656 20 0 HFADMM Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c(C)c1CC(=O)[O-] ZINC000790005541 1077900589 /nfs/dbraw/zinc/90/05/89/1077900589.db2.gz OIWVMGLNPBINKJ-QGZVFWFLSA-N -1 1 405.472 2.856 20 0 HFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000790006489 1077900973 /nfs/dbraw/zinc/90/09/73/1077900973.db2.gz HJMUQOORTOQSPX-KGLIPLIRSA-N -1 1 409.412 2.838 20 0 HFADMM Cn1c(COC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nnc1C1CC1 ZINC000772801183 1077907482 /nfs/dbraw/zinc/90/74/82/1077907482.db2.gz ZSCOVXDYMNFPGI-UHFFFAOYSA-N -1 1 412.471 2.850 20 0 HFADMM CN1CC(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC001170253188 1077927800 /nfs/dbraw/zinc/92/78/00/1077927800.db2.gz HKYJOEPCUBGWQL-UHFFFAOYSA-N -1 1 419.457 2.682 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000790048820 1077928433 /nfs/dbraw/zinc/92/84/33/1077928433.db2.gz WXFBNPSTXCAWCY-JTQLQIEISA-N -1 1 401.897 2.684 20 0 HFADMM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)Nc3nc(Cl)ccc3[O-])C[C@@H](C1)C2=O ZINC000790050851 1077931746 /nfs/dbraw/zinc/93/17/46/1077931746.db2.gz LKTXSPOCUCRJCQ-YOGCLGLASA-N -1 1 409.870 2.841 20 0 HFADMM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)c1 ZINC000790054781 1077933208 /nfs/dbraw/zinc/93/32/08/1077933208.db2.gz PSUXGYLRJUOAAI-UHFFFAOYSA-N -1 1 406.888 2.880 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1C(=O)[O-] ZINC000790090072 1077945808 /nfs/dbraw/zinc/94/58/08/1077945808.db2.gz SSVYGLWLZJIWQM-UHFFFAOYSA-N -1 1 422.846 2.700 20 0 HFADMM COc1ccc(Cn2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)cn2)cc1 ZINC000790098425 1077948018 /nfs/dbraw/zinc/94/80/18/1077948018.db2.gz QNSCQHAFJZPAIL-UHFFFAOYSA-N -1 1 419.434 2.887 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](C)N3CCc4ccccc43)c2)n1 ZINC000790160517 1077962565 /nfs/dbraw/zinc/96/25/65/1077962565.db2.gz QUZLWFFHKLIWFJ-OAHLLOKOSA-N -1 1 419.485 2.716 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc4ccccc4oc3=O)c2)n1 ZINC000790161404 1077963054 /nfs/dbraw/zinc/96/30/54/1077963054.db2.gz ZBEZZKQJPHYUFZ-UHFFFAOYSA-N -1 1 418.409 2.685 20 0 HFADMM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)Cc3cc(C(C)(C)C)on3)C2=O)cc1 ZINC000790229532 1077980982 /nfs/dbraw/zinc/98/09/82/1077980982.db2.gz TVFKAKZPEUDEBM-KRWDZBQOSA-N -1 1 405.520 2.896 20 0 HFADMM NC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc21 ZINC000790348374 1078001124 /nfs/dbraw/zinc/00/11/24/1078001124.db2.gz VEQYNOVEXFTEIP-UHFFFAOYSA-N -1 1 401.366 2.669 20 0 HFADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000747088545 1078001368 /nfs/dbraw/zinc/00/13/68/1078001368.db2.gz RVNBZQSTJGNLQB-UHFFFAOYSA-N -1 1 417.483 2.803 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000792831923 1078007914 /nfs/dbraw/zinc/00/79/14/1078007914.db2.gz NHRCJJXXXIHSRH-HNNXBMFYSA-N -1 1 419.485 2.547 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000790385686 1078011418 /nfs/dbraw/zinc/01/14/18/1078011418.db2.gz VRYMBJRPYMWEMF-UHFFFAOYSA-N -1 1 412.851 2.549 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1C(=O)[O-] ZINC000790390461 1078013170 /nfs/dbraw/zinc/01/31/70/1078013170.db2.gz RGQRTJFGQKIWIC-UHFFFAOYSA-N -1 1 408.823 2.633 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2N(C)C(C)=O)cc1C(=O)[O-] ZINC000790391747 1078013322 /nfs/dbraw/zinc/01/33/22/1078013322.db2.gz WWUIWHWXDOZFMU-UHFFFAOYSA-N -1 1 412.851 2.830 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790394430 1078014588 /nfs/dbraw/zinc/01/45/88/1078014588.db2.gz OBYRDYRDNSEAKG-LEWJYISDSA-N -1 1 406.486 2.970 20 0 HFADMM Cc1nc(-c2ccc(S(=O)(=O)[N-]N=c3cc(Cl)nc(N)[nH]3)s2)cs1 ZINC000790396533 1078024897 /nfs/dbraw/zinc/02/48/97/1078024897.db2.gz BORURUXIIDXPAX-UHFFFAOYSA-N -1 1 402.914 2.511 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1C(=O)[O-] ZINC000790403864 1078027046 /nfs/dbraw/zinc/02/70/46/1078027046.db2.gz KIXARHOMQLYCIB-UHFFFAOYSA-N -1 1 422.850 2.643 20 0 HFADMM COC[C@@H](C)NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000806286553 1079526281 /nfs/dbraw/zinc/52/62/81/1079526281.db2.gz AKDKDLSJPASQSQ-INWMFGNUSA-N -1 1 417.428 2.624 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806362698 1079650188 /nfs/dbraw/zinc/65/01/88/1079650188.db2.gz OWKDPSPGVZLUCU-QXEWZRGKSA-N -1 1 415.338 2.755 20 0 HFADMM O=C(C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc([O-])cc1 ZINC000806433091 1079679819 /nfs/dbraw/zinc/67/98/19/1079679819.db2.gz FLOPANQFVQJISG-UHFFFAOYSA-N -1 1 408.376 2.818 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)ccnc1-2 ZINC000806488534 1079739729 /nfs/dbraw/zinc/73/97/29/1079739729.db2.gz NRGOTCVJNLRTRQ-GFCCVEGCSA-N -1 1 420.395 2.641 20 0 HFADMM CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806491183 1079741625 /nfs/dbraw/zinc/74/16/25/1079741625.db2.gz DWVWYWVYYOWLEA-MRXNPFEDSA-N -1 1 414.510 2.597 20 0 HFADMM COc1ccc(Br)c(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806491812 1079742980 /nfs/dbraw/zinc/74/29/80/1079742980.db2.gz SYCCALWHBAKNNB-UHFFFAOYSA-N -1 1 404.268 2.777 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)ccnc1-2 ZINC000806484284 1079770595 /nfs/dbraw/zinc/77/05/95/1079770595.db2.gz IEJHIOZEWGOIBM-NRFANRHFSA-N -1 1 414.510 2.597 20 0 HFADMM Cc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc(C(=O)[O-])c1F ZINC000806567820 1079827242 /nfs/dbraw/zinc/82/72/42/1079827242.db2.gz LDTXKOSMCGXBKG-KBXCAEBGSA-N -1 1 406.479 2.774 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cccs1 ZINC001130700558 1079900154 /nfs/dbraw/zinc/90/01/54/1079900154.db2.gz CZHXHZAMODOBFU-TZMCWYRMSA-N -1 1 420.453 2.670 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H]3c3ccccc3C(F)(F)F)ccnc1-2 ZINC000806884829 1080082056 /nfs/dbraw/zinc/08/20/56/1080082056.db2.gz WHOZZGHLGPUNCF-INIZCTEOSA-N -1 1 417.391 2.663 20 0 HFADMM Cc1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(Oc2ccccc2)c1 ZINC000806935325 1080142986 /nfs/dbraw/zinc/14/29/86/1080142986.db2.gz QNSTVROILKKGNM-UHFFFAOYSA-N -1 1 415.453 2.697 20 0 HFADMM COc1ccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cc1ccccc1 ZINC000806995455 1080173333 /nfs/dbraw/zinc/17/33/33/1080173333.db2.gz IWDUAMQMDCMYLA-UHFFFAOYSA-N -1 1 415.453 2.518 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)ccnc1-2 ZINC000807000526 1080179228 /nfs/dbraw/zinc/17/92/28/1080179228.db2.gz SQDOJBKHDPBSKT-UHFFFAOYSA-N -1 1 417.444 2.648 20 0 HFADMM CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806982772 1080192497 /nfs/dbraw/zinc/19/24/97/1080192497.db2.gz WQSRZNGCQHPLPJ-UHFFFAOYSA-N -1 1 417.469 2.537 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)ccnc1-2 ZINC000807024510 1080219367 /nfs/dbraw/zinc/21/93/67/1080219367.db2.gz YBCUKVIYBATAOC-WPCHPKMUSA-N -1 1 403.486 2.765 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@H]3/C=C/c3cccs3)ccnc1-2 ZINC000807025970 1080220380 /nfs/dbraw/zinc/22/03/80/1080220380.db2.gz GFBLMYPOTDZICC-WGHYHDOCSA-N -1 1 409.515 2.826 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC2(CCCC2)CC1 ZINC001130879325 1080383641 /nfs/dbraw/zinc/38/36/41/1080383641.db2.gz FDPCJSZGNABGNE-UHFFFAOYSA-N -1 1 402.539 2.833 20 0 HFADMM CN(C(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)c1nn[n-]n1 ZINC001130969073 1080682505 /nfs/dbraw/zinc/68/25/05/1080682505.db2.gz ILVZNACORXSXID-UHFFFAOYSA-N -1 1 420.351 2.513 20 0 HFADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000747407109 1080798886 /nfs/dbraw/zinc/79/88/86/1080798886.db2.gz PHEYDNXLHVOSDS-UHFFFAOYSA-N -1 1 415.393 2.958 20 0 HFADMM C[C@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505468 939130153 /nfs/dbraw/zinc/13/01/53/939130153.db2.gz NPAZFIBHCYZMAX-MGPUTAFESA-N -1 1 420.529 2.971 20 0 HFADMM CCN(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(OC)c1 ZINC000790515361 1078049026 /nfs/dbraw/zinc/04/90/26/1078049026.db2.gz QMWSGPADCGDJJC-MRXNPFEDSA-N -1 1 412.533 2.816 20 0 HFADMM CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000790665799 1078083716 /nfs/dbraw/zinc/08/37/16/1078083716.db2.gz NPQOWVSRBOFXDC-AWEZNQCLSA-N -1 1 419.341 2.546 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1c2ccccc2CC[C@H]1C ZINC000746943841 1078120955 /nfs/dbraw/zinc/12/09/55/1078120955.db2.gz WDWBSIPSIPVXND-CQSZACIVSA-N -1 1 422.485 2.895 20 0 HFADMM Cc1cc(N2C[C@H](C(=O)[N-]OCc3cccnc3)CC2=O)ccc1Br ZINC000746945418 1078129893 /nfs/dbraw/zinc/12/98/93/1078129893.db2.gz SQAWCXNZRILCGT-CQSZACIVSA-N -1 1 404.264 2.753 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1Cl ZINC000793345548 1078132231 /nfs/dbraw/zinc/13/22/31/1078132231.db2.gz JOEUYTCWMVWLHI-LBPRGKRZSA-N -1 1 400.928 2.842 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)c1 ZINC000793360156 1078147750 /nfs/dbraw/zinc/14/77/50/1078147750.db2.gz ZHGHISIABNBBPN-UHFFFAOYSA-N -1 1 406.460 2.687 20 0 HFADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1 ZINC000793391768 1078164514 /nfs/dbraw/zinc/16/45/14/1078164514.db2.gz BTYUHXSQHCPAMU-UHFFFAOYSA-N -1 1 409.435 2.827 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(CCOC(C)=O)c2)c1 ZINC000793414137 1078160153 /nfs/dbraw/zinc/16/01/53/1078160153.db2.gz BDUKWRFCFGUOAZ-UHFFFAOYSA-N -1 1 421.471 2.526 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cnc1C ZINC000793383412 1078161620 /nfs/dbraw/zinc/16/16/20/1078161620.db2.gz CKIRAGSCPJIJGB-ZIAGYGMSSA-N -1 1 419.503 2.591 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2C)c(C)cc1F ZINC000793402354 1078168746 /nfs/dbraw/zinc/16/87/46/1078168746.db2.gz ZZCZUWCASYYJFY-UHFFFAOYSA-N -1 1 422.434 2.987 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)cc(-n3cccn3)c2)c(C)cc1F ZINC000793430127 1078169640 /nfs/dbraw/zinc/16/96/40/1078169640.db2.gz JEDPNNBNBPATEP-UHFFFAOYSA-N -1 1 419.434 2.916 20 0 HFADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c1 ZINC000793443775 1078173035 /nfs/dbraw/zinc/17/30/35/1078173035.db2.gz NNCKOOXAFOVRLR-UHFFFAOYSA-N -1 1 411.863 2.535 20 0 HFADMM COCN1C(=O)CCc2cc(NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)ccc21 ZINC000793904284 1078333706 /nfs/dbraw/zinc/33/37/06/1078333706.db2.gz DCILWBZDOXLNCY-UHFFFAOYSA-N -1 1 423.473 2.506 20 0 HFADMM C[C@]1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CCOC1=O ZINC000794099103 1078371964 /nfs/dbraw/zinc/37/19/64/1078371964.db2.gz MWBKZEVAVXMPTA-SFHVURJKSA-N -1 1 408.863 2.576 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@]3(C)CCOC3=O)cc2)cc1C ZINC000794099770 1078371993 /nfs/dbraw/zinc/37/19/93/1078371993.db2.gz OOJWRJFXSLVRDM-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM CCN(CC)[C@@H](C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1cccc(C(F)(F)F)c1 ZINC001129408592 1078441432 /nfs/dbraw/zinc/44/14/32/1078441432.db2.gz DLXKJLVWQLNYQZ-OAHLLOKOSA-N -1 1 422.411 2.766 20 0 HFADMM CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000804653006 1078481144 /nfs/dbraw/zinc/48/11/44/1078481144.db2.gz LWPYHPSILADAAD-INIZCTEOSA-N -1 1 417.535 2.881 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000804700737 1078564368 /nfs/dbraw/zinc/56/43/68/1078564368.db2.gz JHXHUWKYQKUXIB-UHFFFAOYSA-N -1 1 412.508 2.826 20 0 HFADMM CCn1c(=O)c2ccc(C(=O)N3CC(N(C)Cc4ccccc4)C3)cc2[n-]c1=S ZINC000804532820 1078570255 /nfs/dbraw/zinc/57/02/55/1078570255.db2.gz LNNZNTIRYLUYDI-UHFFFAOYSA-N -1 1 408.527 2.662 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC001129896501 1078590678 /nfs/dbraw/zinc/59/06/78/1078590678.db2.gz QQHWFNVQUOBPCP-CQSZACIVSA-N -1 1 406.360 2.708 20 0 HFADMM O=C(C=Cc1ccc(I)o1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129638882 1078616832 /nfs/dbraw/zinc/61/68/32/1078616832.db2.gz DZRSFSHVBXDSMP-SOFGYWHQSA-N -1 1 411.199 2.911 20 0 HFADMM CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)CC1 ZINC000804764238 1078619507 /nfs/dbraw/zinc/61/95/07/1078619507.db2.gz WBNVHQBZXNZZIT-OAHLLOKOSA-N -1 1 409.914 2.813 20 0 HFADMM CCC[C@@H](NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCCC1 ZINC000804618205 1078667416 /nfs/dbraw/zinc/66/74/16/1078667416.db2.gz PXDDLUMSKZFVMJ-MRXNPFEDSA-N -1 1 419.488 2.769 20 0 HFADMM COc1ccccc1CCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804858909 1078685391 /nfs/dbraw/zinc/68/53/91/1078685391.db2.gz KOFWLVDEHLSYAG-XEZPLFJOSA-N -1 1 401.429 2.725 20 0 HFADMM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cs1 ZINC001129758856 1078703024 /nfs/dbraw/zinc/70/30/24/1078703024.db2.gz WVGHSILMXBSUMN-UHFFFAOYSA-N -1 1 413.459 2.852 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)c(Br)n1C ZINC000804964361 1078801956 /nfs/dbraw/zinc/80/19/56/1078801956.db2.gz FEKGNOKUGSTNIL-NSHDSACASA-N -1 1 402.314 2.545 20 0 HFADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCCC2 ZINC000805027708 1078839814 /nfs/dbraw/zinc/83/98/14/1078839814.db2.gz PUDKMDNKWNUNLR-CHWSQXEVSA-N -1 1 420.373 2.897 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c(Br)n1C ZINC000805004901 1078849222 /nfs/dbraw/zinc/84/92/22/1078849222.db2.gz FLSFATSNZXJKPT-KCJUWKMLSA-N -1 1 406.252 2.604 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001130061111 1078858454 /nfs/dbraw/zinc/85/84/54/1078858454.db2.gz MNIAUQPREHABRH-HKUYNNGSSA-N -1 1 416.566 2.935 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)c(Br)n1C ZINC000805059341 1078872619 /nfs/dbraw/zinc/87/26/19/1078872619.db2.gz PSOQISDFFRWLMO-UHFFFAOYSA-N -1 1 417.329 2.542 20 0 HFADMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCO1 ZINC000805058048 1078870207 /nfs/dbraw/zinc/87/02/07/1078870207.db2.gz ZJOYPLUGIAZURB-STQMWFEESA-N -1 1 408.362 2.753 20 0 HFADMM C[C@H]1CCN(C(=O)NCCc2cc(F)cc(F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805033824 1078880220 /nfs/dbraw/zinc/88/02/20/1078880220.db2.gz OQWMXYRLKLDUDM-PGUXBMHVSA-N -1 1 407.383 2.994 20 0 HFADMM Cn1nc(C(C)(C)C)cc1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130087928 1078924489 /nfs/dbraw/zinc/92/44/89/1078924489.db2.gz VLYBKMNFIOVFNL-CYBMUJFWSA-N -1 1 408.424 2.968 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]CCC2(F)CCC2)c(F)cc1Br 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/nfs/dbraw/zinc/98/41/34/1078984134.db2.gz CBWJRMYXPJZJAW-MJVIPROJSA-N -1 1 404.458 2.791 20 0 HFADMM CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000805297371 1078993756 /nfs/dbraw/zinc/99/37/56/1078993756.db2.gz KIDIJPMUFWYDPD-AWEZNQCLSA-N -1 1 405.524 2.928 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2nn(C)c3ccccc23)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805282159 1079007424 /nfs/dbraw/zinc/00/74/24/1079007424.db2.gz LIEOQNIHCWJBHO-MKBNYLNASA-N -1 1 411.428 2.560 20 0 HFADMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cn[n-]n1 ZINC000805604497 1079151313 /nfs/dbraw/zinc/15/13/13/1079151313.db2.gz LHAQTADHJJJVBP-UHFFFAOYSA-N -1 1 400.416 2.505 20 0 HFADMM O=C(COC(=O)c1cn[n-]n1)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000805602959 1079151401 /nfs/dbraw/zinc/15/14/01/1079151401.db2.gz BBDVDIWEDHNUJY-UHFFFAOYSA-N -1 1 418.207 2.550 20 0 HFADMM C[C@@H](NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc(F)cc1 ZINC000805788942 1079256416 /nfs/dbraw/zinc/25/64/16/1079256416.db2.gz RXHYKBWHIHVSJV-LKQDWFRTSA-N -1 1 403.420 2.780 20 0 HFADMM COc1ccc(C)cc1NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788825 1079256467 /nfs/dbraw/zinc/25/64/67/1079256467.db2.gz VNNLEXQALUKVBW-DCGLDWPTSA-N -1 1 401.429 2.720 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H](C)NC(=O)C1CCCCC1 ZINC000806017893 1079391645 /nfs/dbraw/zinc/39/16/45/1079391645.db2.gz LEWIAPKHZCBJSN-OAHLLOKOSA-N -1 1 412.490 2.723 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CC1CCC2(CC1)OCCO2 ZINC000806019001 1079392506 /nfs/dbraw/zinc/39/25/06/1079392506.db2.gz HMZDPKZDYSKOSY-UHFFFAOYSA-N -1 1 413.474 2.962 20 0 HFADMM COCCOC1CCC(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)CC1 ZINC000806020832 1079393828 /nfs/dbraw/zinc/39/38/28/1079393828.db2.gz YOECANRXDPMCLD-UHFFFAOYSA-N -1 1 415.490 2.860 20 0 HFADMM C[C@H]1[C@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC(=O)N1C ZINC000806069582 1079414096 /nfs/dbraw/zinc/41/40/96/1079414096.db2.gz ZRORSMJHEXYKRW-APPDUMDISA-N -1 1 424.425 2.542 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@@H]2CC(=O)N(C)[C@H]2C)c1 ZINC000806076059 1079415256 /nfs/dbraw/zinc/41/52/56/1079415256.db2.gz ROPJATRZORJYNJ-HNAYVOBHSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H]3CC(=O)N(C)[C@H]3C)cc2)ccc1F ZINC000806068307 1079434291 /nfs/dbraw/zinc/43/42/91/1079434291.db2.gz KHPDMTACNUGCOP-UGSOOPFHSA-N -1 1 420.462 2.711 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3cc(F)ccc3[O-])cn2)CC1 ZINC000787337537 1076783226 /nfs/dbraw/zinc/78/32/26/1076783226.db2.gz QFCZBCAQNBTQLQ-UHFFFAOYSA-N -1 1 417.441 2.631 20 0 HFADMM COC(=O)[C@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@H]1C ZINC000787512017 1076830902 /nfs/dbraw/zinc/83/09/02/1076830902.db2.gz IYUFSFVHTGTCAH-ONGXEEELSA-N -1 1 404.341 2.527 20 0 HFADMM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956566 1077008115 /nfs/dbraw/zinc/00/81/15/1077008115.db2.gz TYDUHCSNZDGXHA-ZDUSSCGKSA-N -1 1 413.405 2.760 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)s1 ZINC000788047690 1077040506 /nfs/dbraw/zinc/04/05/06/1077040506.db2.gz SCCPQFGXBMXPGD-UHFFFAOYSA-N -1 1 418.880 2.830 20 0 HFADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])nc1I ZINC000788158691 1077071200 /nfs/dbraw/zinc/07/12/00/1077071200.db2.gz NJFPSHNGHRHAKE-UHFFFAOYSA-N -1 1 405.579 2.701 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3nccn3C)c2)cc1F ZINC000788198978 1077077000 /nfs/dbraw/zinc/07/70/00/1077077000.db2.gz ARLONOUVPQCZHJ-UHFFFAOYSA-N -1 1 402.451 2.945 20 0 HFADMM Cn1[n-]cc2c(=NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)ccnc1-2 ZINC000788210793 1077079895 /nfs/dbraw/zinc/07/98/95/1077079895.db2.gz DJBCKWCOTBOMMB-UHFFFAOYSA-N -1 1 406.414 2.672 20 0 HFADMM CCCn1cc([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)ccc1=O ZINC000788481175 1077174252 /nfs/dbraw/zinc/17/42/52/1077174252.db2.gz YFXZYIXALHTFQK-UHFFFAOYSA-N -1 1 404.897 2.869 20 0 HFADMM CC(C)Oc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C(N)=O ZINC000788494590 1077181211 /nfs/dbraw/zinc/18/12/11/1077181211.db2.gz PXURFRCIROEOLD-UHFFFAOYSA-N -1 1 412.851 2.725 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1Cl ZINC000788497651 1077182224 /nfs/dbraw/zinc/18/22/24/1077182224.db2.gz CUIQHEYSUCDBSH-UHFFFAOYSA-N -1 1 423.878 2.984 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@H]3CCOC3)c2)c1 ZINC000788568364 1077208784 /nfs/dbraw/zinc/20/87/84/1077208784.db2.gz AWLGLJUFXYKRCA-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nnnn1C1CC1 ZINC000790942415 1077260849 /nfs/dbraw/zinc/26/08/49/1077260849.db2.gz NJKLUICDJAMLIF-YFKPBYRVSA-N -1 1 412.722 2.525 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(Br)n2)n[n-]1 ZINC000791167786 1077323616 /nfs/dbraw/zinc/32/36/16/1077323616.db2.gz JYRXZBFLCQWZOP-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(Br)n2)[n-]1 ZINC000791167786 1077323618 /nfs/dbraw/zinc/32/36/18/1077323618.db2.gz JYRXZBFLCQWZOP-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(Br)n2)n1 ZINC000791167786 1077323620 /nfs/dbraw/zinc/32/36/20/1077323620.db2.gz JYRXZBFLCQWZOP-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccnc1-2 ZINC000791167528 1077323811 /nfs/dbraw/zinc/32/38/11/1077323811.db2.gz REUGMXLOMLSAJG-INIZCTEOSA-N -1 1 418.284 2.892 20 0 HFADMM CC(C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)Nc1nccs1 ZINC000788905087 1077347282 /nfs/dbraw/zinc/34/72/82/1077347282.db2.gz GUMKOABCBWHHQC-OAHLLOKOSA-N -1 1 407.517 2.849 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n[n-]1 ZINC000791282313 1077369357 /nfs/dbraw/zinc/36/93/57/1077369357.db2.gz FTRABBSQLLQXPH-OWNNVSBGSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]1 ZINC000791282313 1077369363 /nfs/dbraw/zinc/36/93/63/1077369363.db2.gz FTRABBSQLLQXPH-OWNNVSBGSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000791282313 1077369368 /nfs/dbraw/zinc/36/93/68/1077369368.db2.gz FTRABBSQLLQXPH-OWNNVSBGSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CCCC1 ZINC000791835089 1077578904 /nfs/dbraw/zinc/57/89/04/1077578904.db2.gz FLIWVRGIIIBXRG-UHFFFAOYSA-N -1 1 417.243 2.850 20 0 HFADMM CCCOc1ccc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c(OC(C)C)c1 ZINC000791874482 1077594407 /nfs/dbraw/zinc/59/44/07/1077594407.db2.gz RJFHFNQDFKXCBG-UHFFFAOYSA-N -1 1 414.462 2.702 20 0 HFADMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)OCC2(F)CC2)cc1 ZINC000789584443 1077669461 /nfs/dbraw/zinc/66/94/61/1077669461.db2.gz CHXKEXKULJFPKY-HNNXBMFYSA-N -1 1 419.478 2.768 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CSCN1C(=O)C1CCCC1 ZINC000789923411 1077848822 /nfs/dbraw/zinc/84/88/22/1077848822.db2.gz VUIJCGKQYAWISL-SNVBAGLBSA-N -1 1 400.298 2.580 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789895335 1077853520 /nfs/dbraw/zinc/85/35/20/1077853520.db2.gz UZGKBKYQIFNJIJ-AWEZNQCLSA-N -1 1 400.504 2.673 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3NC(=O)O[C@H]3C)ccc2C)c1 ZINC000789938476 1077859495 /nfs/dbraw/zinc/85/94/95/1077859495.db2.gz CBHIYZGRJYOAMK-GUYCJALGSA-N -1 1 403.460 2.540 20 0 HFADMM Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000789941853 1077861861 /nfs/dbraw/zinc/86/18/61/1077861861.db2.gz MQPQFRGWPVYRKA-ZBEGNZNMSA-N -1 1 423.878 2.885 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792504678 1077893769 /nfs/dbraw/zinc/89/37/69/1077893769.db2.gz ABVPMAJULUVETD-ZDUSSCGKSA-N -1 1 415.494 2.515 20 0 HFADMM CS(=O)(=O)CC[C@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC000790041963 1077909025 /nfs/dbraw/zinc/90/90/25/1077909025.db2.gz AZUXIKVDKCAAIM-LBPRGKRZSA-N -1 1 413.293 2.707 20 0 HFADMM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc(OC)cc1)c1ccc(Cl)c(F)c1 ZINC000790043322 1077909400 /nfs/dbraw/zinc/90/94/00/1077909400.db2.gz CAJKWBWCBRFZRM-QGZVFWFLSA-N -1 1 415.870 2.864 20 0 HFADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1C ZINC000790046345 1077910460 /nfs/dbraw/zinc/91/04/60/1077910460.db2.gz ZIOIJVPQUYPEFD-UHFFFAOYSA-N -1 1 415.515 2.701 20 0 HFADMM CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](O)c1ccccc1 ZINC000792575686 1077914051 /nfs/dbraw/zinc/91/40/51/1077914051.db2.gz RXGFIUPJTPZTSJ-YJBOKZPZSA-N -1 1 408.520 2.989 20 0 HFADMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN(C(C)=O)CC4)cc2C1 ZINC000790068140 1077920898 /nfs/dbraw/zinc/92/08/98/1077920898.db2.gz NDCPDLYBLUMHIB-NRFANRHFSA-N -1 1 414.527 2.548 20 0 HFADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000790075596 1077923630 /nfs/dbraw/zinc/92/36/30/1077923630.db2.gz XXVNAVAEKULLCI-GFCCVEGCSA-N -1 1 402.488 2.896 20 0 HFADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c1 ZINC000790083984 1077927413 /nfs/dbraw/zinc/92/74/13/1077927413.db2.gz SBYYVIVEFCXTAY-HXUWFJFHSA-N -1 1 415.471 2.721 20 0 HFADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)cc1 ZINC000790090619 1077945575 /nfs/dbraw/zinc/94/55/75/1077945575.db2.gz NWUIJRAEMOHYSD-UHFFFAOYSA-N -1 1 400.456 2.906 20 0 HFADMM COc1ccc(Cn2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cn2)cc1 ZINC000790091251 1077946057 /nfs/dbraw/zinc/94/60/57/1077946057.db2.gz RJMUFWNPJWBDBR-UHFFFAOYSA-N -1 1 405.407 2.578 20 0 HFADMM CCc1cc2c(COC(=O)CCn3cnc4ccccc4c3=O)cc(=O)oc2cc1[O-] ZINC000792694495 1077977323 /nfs/dbraw/zinc/97/73/23/1077977323.db2.gz VVIBXBSXOCAXBO-UHFFFAOYSA-N -1 1 420.421 2.904 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000790406541 1078019638 /nfs/dbraw/zinc/01/96/38/1078019638.db2.gz VMRFWWIPYONZMS-UHFFFAOYSA-N -1 1 413.761 2.600 20 0 HFADMM COC(=O)Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790398619 1078025507 /nfs/dbraw/zinc/02/55/07/1078025507.db2.gz JKRCZZSHMPSQBH-UHFFFAOYSA-N -1 1 413.835 2.563 20 0 HFADMM C[C@H]1CCN(C(=O)NCCN(C)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806348563 1079621784 /nfs/dbraw/zinc/62/17/84/1079621784.db2.gz WVIYQQBOFUQELO-DZKIICNBSA-N -1 1 400.445 2.610 20 0 HFADMM CN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000806489518 1079740870 /nfs/dbraw/zinc/74/08/70/1079740870.db2.gz URSOAVKLXDDEJW-HZPDHXFCSA-N -1 1 406.273 2.771 20 0 HFADMM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806491976 1079742347 /nfs/dbraw/zinc/74/23/47/1079742347.db2.gz ZJZAANIZSFKGTR-IBGZPJMESA-N -1 1 414.460 2.921 20 0 HFADMM Cc1ccc2nc(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cn2c1 ZINC000806499010 1079749531 /nfs/dbraw/zinc/74/95/31/1079749531.db2.gz SGXPKWNYYJJDSB-XEZPLFJOSA-N -1 1 411.428 2.630 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)ccnc1-2 ZINC000806481155 1079767008 /nfs/dbraw/zinc/76/70/08/1079767008.db2.gz KCKLKCSTSJXQEP-INIZCTEOSA-N -1 1 416.279 2.710 20 0 HFADMM COC(=O)C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc2ccccc21 ZINC000806481591 1079768387 /nfs/dbraw/zinc/76/83/87/1079768387.db2.gz GGWSHMKHJNQAKT-LJQANCHMSA-N -1 1 403.442 2.921 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@@](O)(c3ccc(Cl)cc3)C(F)(F)F)ccnc1-2 ZINC000806484078 1079770057 /nfs/dbraw/zinc/77/00/57/1079770057.db2.gz BEPOGKIUEUEGBD-MRXNPFEDSA-N -1 1 413.787 2.567 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC([C@@H]4C(=O)Nc5cc(Cl)ccc54)CC3)ccnc1-2 ZINC000806488155 1079773639 /nfs/dbraw/zinc/77/36/39/1079773639.db2.gz BYHHPZXCVXXAKE-SFHVURJKSA-N -1 1 424.892 2.975 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(CCNC(=O)OC(C)(C)C)cc3)ccnc1-2 ZINC000806489059 1079774604 /nfs/dbraw/zinc/77/46/04/1079774604.db2.gz MOPDPMMWSRKRGE-UHFFFAOYSA-N -1 1 424.505 2.731 20 0 HFADMM C[C@H]1CCN(C(=S)Nc2ccc3c(c2)OCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806596529 1079838038 /nfs/dbraw/zinc/83/80/38/1079838038.db2.gz YQGYXVLNWOZWEL-BHDSKKPTSA-N -1 1 403.426 2.890 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2cccc(N(C)C)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806645733 1079902188 /nfs/dbraw/zinc/90/21/88/1079902188.db2.gz LPJJUWHCKUPFMB-XEZPLFJOSA-N -1 1 400.445 2.740 20 0 HFADMM Cc1ccccc1C1(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCCC1 ZINC000806881171 1080079854 /nfs/dbraw/zinc/07/98/54/1080079854.db2.gz JJOWNROSHUYUSK-UHFFFAOYSA-N -1 1 405.502 2.607 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(c4ccccc4)CCCCCC3)ccnc1-2 ZINC000806884329 1080081944 /nfs/dbraw/zinc/08/19/44/1080081944.db2.gz URGVXGYSFXGUNN-UHFFFAOYSA-N -1 1 405.502 2.689 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)ccnc1-2 ZINC000806964421 1080132490 /nfs/dbraw/zinc/13/24/90/1080132490.db2.gz SFLCIBRYNAFSER-SCLBCKFNSA-N -1 1 403.486 2.697 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3CCc4ccc(-c5ccccc5)cc43)ccnc1-2 ZINC000806988794 1080168132 /nfs/dbraw/zinc/16/81/32/1080168132.db2.gz ZSUUUIGBJRSKBL-FQEVSTJZSA-N -1 1 411.465 2.751 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCc4sccc4[C@H]3c3cccs3)ccnc1-2 ZINC000806986537 1080197827 /nfs/dbraw/zinc/19/78/27/1080197827.db2.gz 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418.412 2.510 20 0 HFADMM Cn1c(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC000426726137 1126083401 /nfs/dbraw/zinc/08/34/01/1126083401.db2.gz HJJRHMVQPIVAFA-NSHDSACASA-N -1 1 401.776 2.685 20 0 HFADMM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505467 939130012 /nfs/dbraw/zinc/13/00/12/939130012.db2.gz NPAZFIBHCYZMAX-FOIQADDNSA-N -1 1 420.529 2.971 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000746937070 1078084558 /nfs/dbraw/zinc/08/45/58/1078084558.db2.gz UGWCIZTUHLEHAW-OAHLLOKOSA-N -1 1 408.458 2.505 20 0 HFADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000790813034 1078127133 /nfs/dbraw/zinc/12/71/33/1078127133.db2.gz NOJIZJHPRZKBLW-UHFFFAOYSA-N -1 1 406.932 2.674 20 0 HFADMM CCOC(=O)c1ccc(NC(=O)c2cc(I)ccc2[O-])cn1 ZINC000790790671 1078135688 /nfs/dbraw/zinc/13/56/88/1078135688.db2.gz ZPPXEVILSAESTE-UHFFFAOYSA-N -1 1 412.183 2.821 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)c(C)cc1F ZINC000793353710 1078145233 /nfs/dbraw/zinc/14/52/33/1078145233.db2.gz QIJZPZQKLFOQGB-UHFFFAOYSA-N -1 1 406.435 2.631 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c(C)cc1F ZINC000793359749 1078147181 /nfs/dbraw/zinc/14/71/81/1078147181.db2.gz XRSVBEAUZIVJKF-UHFFFAOYSA-N -1 1 420.462 2.958 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)c(C)cc1F ZINC000793367351 1078150040 /nfs/dbraw/zinc/15/00/40/1078150040.db2.gz JVHCBIHXGHHQNO-UHFFFAOYSA-N -1 1 408.407 2.678 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c(C)cc1F ZINC000793407122 1078157349 /nfs/dbraw/zinc/15/73/49/1078157349.db2.gz WKXPOJQDOGBMLL-UHFFFAOYSA-N -1 1 412.414 2.562 20 0 HFADMM COc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)NC(=O)CC2 ZINC000793407345 1078157930 /nfs/dbraw/zinc/15/79/30/1078157930.db2.gz FYQFHAYSTNDHLR-UHFFFAOYSA-N -1 1 408.407 2.526 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nnc(C)n3C)c2)c(C)cc1F ZINC000793412196 1078159221 /nfs/dbraw/zinc/15/92/21/1078159221.db2.gz QBPDEMLGRJXMIL-UHFFFAOYSA-N -1 1 418.450 2.825 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@@H](C)OC)c2)c(C)cc1F ZINC000793383013 1078161151 /nfs/dbraw/zinc/16/11/51/1078161151.db2.gz YOEMGVNDOXJCFK-GFCCVEGCSA-N -1 1 424.450 2.695 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c(C)cc1F ZINC000793394324 1078165880 /nfs/dbraw/zinc/16/58/80/1078165880.db2.gz KYEQRTJDJCGMEI-AREMUKBSSA-N -1 1 413.492 2.908 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)c1 ZINC000793403554 1078168658 /nfs/dbraw/zinc/16/86/58/1078168658.db2.gz BQDHBFJNTKAZHA-UHFFFAOYSA-N -1 1 420.487 2.793 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c(C)cc1F ZINC000793428293 1078169624 /nfs/dbraw/zinc/16/96/24/1078169624.db2.gz KLYNZMFKOCLJFV-UHFFFAOYSA-N -1 1 404.419 2.573 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 ZINC000793465217 1078180338 /nfs/dbraw/zinc/18/03/38/1078180338.db2.gz 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CCNC(=O)N(C)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c1 ZINC000794111420 1078373639 /nfs/dbraw/zinc/37/36/39/1078373639.db2.gz JSPMDWQNOOZNEO-UHFFFAOYSA-N -1 1 404.492 2.866 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOCCSC)c2)cc1 ZINC000794187486 1078382815 /nfs/dbraw/zinc/38/28/15/1078382815.db2.gz HWZQHHWBTKLHFT-UHFFFAOYSA-N -1 1 410.517 2.911 20 0 HFADMM O=C([N-]OC/C=C/Cl)c1c[nH]c2ccc(I)cc2c1=O ZINC000794294892 1078402792 /nfs/dbraw/zinc/40/27/92/1078402792.db2.gz YCQFVRVGWHUCPG-DAFODLJHSA-N -1 1 404.591 2.547 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)o1 ZINC000804413542 1078460580 /nfs/dbraw/zinc/46/05/80/1078460580.db2.gz TVEVLVLTYJDSJM-SFHVURJKSA-N -1 1 414.483 2.564 20 0 HFADMM C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804664789 1078474221 /nfs/dbraw/zinc/47/42/21/1078474221.db2.gz BHKOTXRLKWHZHL-GOEBONIOSA-N -1 1 417.535 2.881 20 0 HFADMM CC[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000804435216 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DNBMMCIMSPDCGK-UHFFFAOYSA-N -1 1 405.480 2.795 20 0 HFADMM C[C@H]1CCN(C(=O)NCCOc2ccc(F)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804905989 1078729524 /nfs/dbraw/zinc/72/95/24/1078729524.db2.gz BWFUSWXWNATGJN-HUBLWGQQSA-N -1 1 405.392 2.692 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(OC(C)C)cc2)c(Br)n1C ZINC000804948253 1078777029 /nfs/dbraw/zinc/77/70/29/1078777029.db2.gz OFVNWOCKLGUMRW-UHFFFAOYSA-N -1 1 416.341 2.799 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2c(C)cc(C)cc2C)c(Br)n1C ZINC000804957890 1078797828 /nfs/dbraw/zinc/79/78/28/1078797828.db2.gz DEHHZTUCNUMECV-UHFFFAOYSA-N -1 1 400.342 2.937 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)c(Br)n1C ZINC000804992590 1078807267 /nfs/dbraw/zinc/80/72/67/1078807267.db2.gz FJTULFNNKZZWLP-OAHLLOKOSA-N -1 1 421.320 2.954 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)c(Br)n1C ZINC000804980029 1078816643 /nfs/dbraw/zinc/81/66/43/1078816643.db2.gz RFONXHIOXRKHTG-LBPRGKRZSA-N -1 1 420.329 2.776 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)c(Br)n1C ZINC000805032184 1078836458 /nfs/dbraw/zinc/83/64/58/1078836458.db2.gz WBLPGHKPEYVXQG-LLVKDONJSA-N -1 1 424.361 2.526 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c(Br)n1C ZINC000805027200 1078839857 /nfs/dbraw/zinc/83/98/57/1078839857.db2.gz IVSIRMVKQFKTEW-UHFFFAOYSA-N -1 1 415.288 2.632 20 0 HFADMM COc1c(C)cnc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1C ZINC000805028986 1078840247 /nfs/dbraw/zinc/84/02/47/1078840247.db2.gz FFXHPVRPUQDIMS-XEGUGMAKSA-N -1 1 416.444 2.694 20 0 HFADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)[C@@H](C)[C@@H]1OC ZINC000805053320 1078866897 /nfs/dbraw/zinc/86/68/97/1078866897.db2.gz OHJWSEOLXCOSSK-JLLWLGSASA-N -1 1 408.362 2.609 20 0 HFADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805053158 1078867218 /nfs/dbraw/zinc/86/72/18/1078867218.db2.gz JHGUCAFNAAJBKS-TVQRCGJNSA-N -1 1 420.304 2.685 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)F ZINC001130087000 1078923527 /nfs/dbraw/zinc/92/35/27/1078923527.db2.gz KWKKGBQMNPPHGW-OLZOCXBDSA-N -1 1 423.357 2.507 20 0 HFADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)c2nccn2-c2ccccc2)c1F ZINC000805128475 1078928122 /nfs/dbraw/zinc/92/81/22/1078928122.db2.gz SEVHHUNICVILOM-LBPRGKRZSA-N -1 1 421.425 2.977 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3nncn3C)c2)c1 ZINC000805332354 1079023014 /nfs/dbraw/zinc/02/30/14/1079023014.db2.gz RQUQQDGYLQXOBN-CQSZACIVSA-N -1 1 400.460 2.842 20 0 HFADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000805610288 1079174001 /nfs/dbraw/zinc/17/40/01/1079174001.db2.gz YWCJGVXRNASRSJ-BZNIZROVSA-N -1 1 413.821 2.974 20 0 HFADMM C[C@H]1CCN(C(=O)NCC2(c3ccccn3)CCC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805839012 1079277691 /nfs/dbraw/zinc/27/76/91/1079277691.db2.gz BETXJINYHRXOFE-DZKIICNBSA-N -1 1 412.456 2.990 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NCC(C)C ZINC000805830269 1079299901 /nfs/dbraw/zinc/29/99/01/1079299901.db2.gz YTQBROSLTJZNJW-YJBOKZPZSA-N -1 1 415.456 2.651 20 0 HFADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)o1 ZINC000747271814 1079316374 /nfs/dbraw/zinc/31/63/74/1079316374.db2.gz VDLDUNVNLHZYDD-UHFFFAOYSA-N -1 1 422.242 2.638 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000806016919 1079389497 /nfs/dbraw/zinc/38/94/97/1079389497.db2.gz OHVIWZBWCAZXTJ-GDLZYMKVSA-N -1 1 411.483 2.618 20 0 HFADMM COc1ccc2c(c1)C[C@@H](C(=O)OCCc1c(C)nc(-c3ccccn3)[n-]c1=O)CO2 ZINC000806016343 1079390600 /nfs/dbraw/zinc/39/06/00/1079390600.db2.gz CEUGBKISJRLAHV-MRXNPFEDSA-N -1 1 421.453 2.898 20 0 HFADMM COC(=O)COc1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000806016106 1079390917 /nfs/dbraw/zinc/39/09/17/1079390917.db2.gz LZMPJRPZTWFXEB-UHFFFAOYSA-N -1 1 423.425 2.504 20 0 HFADMM COC(=O)C12CCC(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)(CC1)C2 ZINC000806017790 1079391254 /nfs/dbraw/zinc/39/12/54/1079391254.db2.gz HRIHDLCSKDTKLJ-UHFFFAOYSA-N -1 1 411.458 2.762 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000806019341 1079393905 /nfs/dbraw/zinc/39/39/05/1079393905.db2.gz UKXNZWMULJRLRA-UHFFFAOYSA-N -1 1 406.442 2.654 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000806020368 1079394502 /nfs/dbraw/zinc/39/45/02/1079394502.db2.gz PIPWSDLHOGQWDL-INIZCTEOSA-N -1 1 422.416 2.903 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ncccn3)c2)cc1 ZINC000772700003 1076782721 /nfs/dbraw/zinc/78/27/21/1076782721.db2.gz MXNWRGXPWXEHIT-UHFFFAOYSA-N -1 1 412.471 2.606 20 0 HFADMM Cc1ccc([C@@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)N2CCCC2)o1 ZINC000746688658 1076858077 /nfs/dbraw/zinc/85/80/77/1076858077.db2.gz JENDIAFMZRBIQF-QGZVFWFLSA-N -1 1 412.515 2.540 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)c3nnnn3C)c2)c1 ZINC000787563524 1076865694 /nfs/dbraw/zinc/86/56/94/1076865694.db2.gz HPCNMRWFTJXYMG-AWEZNQCLSA-N -1 1 415.475 2.546 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1nnnn1C1CCCCC1 ZINC000787669375 1076905114 /nfs/dbraw/zinc/90/51/14/1076905114.db2.gz BMLCEQLLPVBGKT-CYBMUJFWSA-N -1 1 407.496 2.858 20 0 HFADMM CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000787752941 1076927689 /nfs/dbraw/zinc/92/76/89/1076927689.db2.gz WUKBWMYQQKGWEA-FQEVSTJZSA-N -1 1 401.551 2.956 20 0 HFADMM C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc(N(C)C)cc1 ZINC000787955651 1077007639 /nfs/dbraw/zinc/00/76/39/1077007639.db2.gz LWTIZIQGDHMQNE-ZDUSSCGKSA-N -1 1 412.421 2.967 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1F ZINC000788091870 1077056215 /nfs/dbraw/zinc/05/62/15/1077056215.db2.gz ZEBLRBLGUMDOCG-UHFFFAOYSA-N -1 1 407.467 2.724 20 0 HFADMM O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788151001 1077069095 /nfs/dbraw/zinc/06/90/95/1077069095.db2.gz YUOWGUCAIVHEHA-LJQANCHMSA-N -1 1 417.498 2.983 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccn2c(I)cnc12 ZINC000788159110 1077071473 /nfs/dbraw/zinc/07/14/73/1077071473.db2.gz VRJCXVLKSJHQHZ-UHFFFAOYSA-N -1 1 414.590 2.945 20 0 HFADMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c1C ZINC000788488313 1077177943 /nfs/dbraw/zinc/17/79/43/1077177943.db2.gz HNPIACRZTFDBNH-UHFFFAOYSA-N -1 1 409.439 2.863 20 0 HFADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1C ZINC000788498738 1077182668 /nfs/dbraw/zinc/18/26/68/1077182668.db2.gz NVLJOZCNZRNBTE-UHFFFAOYSA-N -1 1 417.487 2.948 20 0 HFADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)o1 ZINC000788645576 1077224005 /nfs/dbraw/zinc/22/40/05/1077224005.db2.gz PMWUTOOHWLYEES-UHFFFAOYSA-N -1 1 421.880 2.745 20 0 HFADMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)C1=Cc2ccccc2OC1 ZINC000788735648 1077285656 /nfs/dbraw/zinc/28/56/56/1077285656.db2.gz IIJABZQSHSADFU-UHFFFAOYSA-N -1 1 420.512 2.646 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)COC)cc2)c1 ZINC000788740634 1077286728 /nfs/dbraw/zinc/28/67/28/1077286728.db2.gz BJFHVERRRNFDKU-UHFFFAOYSA-N -1 1 406.460 2.557 20 0 HFADMM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791163897 1077313337 /nfs/dbraw/zinc/31/33/37/1077313337.db2.gz GXGCDJIQHBGANU-VYBOSXCSSA-N -1 1 409.534 2.638 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3cnccn3)c2)c1 ZINC000791481038 1077421395 /nfs/dbraw/zinc/42/13/95/1077421395.db2.gz HDZLCLTZCOHGAO-UHFFFAOYSA-N -1 1 411.439 2.626 20 0 HFADMM CCc1cc2c(COC(=O)C3=C(C)N(C)c4ncnn4[C@@H]3C)cc(=O)oc2cc1[O-] ZINC000791471116 1077443285 /nfs/dbraw/zinc/44/32/85/1077443285.db2.gz YCUSNAJQAOZBFL-GFCCVEGCSA-N -1 1 410.430 2.681 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)o1 ZINC000789647848 1077718578 /nfs/dbraw/zinc/71/85/78/1077718578.db2.gz BUCQXHFKWRGWCQ-GXFFZTMASA-N -1 1 413.414 2.871 20 0 HFADMM CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1=O ZINC000789722212 1077758350 /nfs/dbraw/zinc/75/83/50/1077758350.db2.gz SVEMJSWACLMCOC-CHWSQXEVSA-N -1 1 418.387 2.687 20 0 HFADMM CC(C)[C@@H](C(=O)Nc1nc(Br)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000789923544 1077848852 /nfs/dbraw/zinc/84/88/52/1077848852.db2.gz ZISXQIURTWOEDB-AWEZNQCLSA-N -1 1 418.247 2.809 20 0 HFADMM Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000789942052 1077861699 /nfs/dbraw/zinc/86/16/99/1077861699.db2.gz QRFMZNHWJIYNBR-ZBEGNZNMSA-N -1 1 423.878 2.885 20 0 HFADMM CCc1cc2c(COC(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc(=O)oc2cc1[O-] ZINC000792476116 1077874003 /nfs/dbraw/zinc/87/40/03/1077874003.db2.gz OHFOAHFVYDXDQH-UHFFFAOYSA-N -1 1 420.414 2.961 20 0 HFADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](C(=O)OC)c2ccccc2)cc1 ZINC000790004665 1077900106 /nfs/dbraw/zinc/90/01/06/1077900106.db2.gz JCJPVJINYDTKMT-GOSISDBHSA-N -1 1 405.472 2.952 20 0 HFADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc4ccn(S(=O)(=O)c5ccccc5)c4c3)c2[nH]1 ZINC001170217659 1077909824 /nfs/dbraw/zinc/90/98/24/1077909824.db2.gz JYJAJQFVZXMVRN-UHFFFAOYSA-N -1 1 422.426 2.651 20 0 HFADMM CCC[C@@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](O)c1ccccc1 ZINC000792577502 1077915272 /nfs/dbraw/zinc/91/52/72/1077915272.db2.gz AWCAACGALCFXGX-CTNGQTDRSA-N -1 1 406.486 2.701 20 0 HFADMM O=C(COC(=O)Cc1cnc2ccccc2c1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000790079065 1077925032 /nfs/dbraw/zinc/92/50/32/1077925032.db2.gz IPRZTUYOVYUCBX-UHFFFAOYSA-N -1 1 414.364 2.879 20 0 HFADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1=O ZINC000790082915 1077926895 /nfs/dbraw/zinc/92/68/95/1077926895.db2.gz LTZJJPYSCXICDG-IBGZPJMESA-N -1 1 403.435 2.851 20 0 HFADMM CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049337 1077928925 /nfs/dbraw/zinc/92/89/25/1077928925.db2.gz YNDURFLHTUBNJL-NEPJUHHUSA-N -1 1 412.918 2.605 20 0 HFADMM Cc1nsc(C(=O)N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000790053877 1077933510 /nfs/dbraw/zinc/93/35/10/1077933510.db2.gz USZOMDXSHLCALJ-UHFFFAOYSA-N -1 1 402.501 2.920 20 0 HFADMM CSCC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000790056421 1077934149 /nfs/dbraw/zinc/93/41/49/1077934149.db2.gz KXGIITBTBCGPLF-GFCCVEGCSA-N -1 1 405.863 2.797 20 0 HFADMM CN1CCN(Cc2cccc(-c3noc(-c4cc(=O)n(-c5ccccc5)[n-]4)n3)c2)CC1 ZINC001212602382 1077961005 /nfs/dbraw/zinc/96/10/05/1077961005.db2.gz WYIWIDSJEKXBLL-UHFFFAOYSA-N -1 1 416.485 2.625 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(-n4cccc4)nc3)c2)n1 ZINC000790160263 1077962701 /nfs/dbraw/zinc/96/27/01/1077962701.db2.gz PJCHMXZTZSSSSW-UHFFFAOYSA-N -1 1 416.441 2.764 20 0 HFADMM Cc1c(S(=O)(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2ccccc2n1C ZINC000790333232 1078005901 /nfs/dbraw/zinc/00/59/01/1078005901.db2.gz SGRHHDFXAGWVLE-UHFFFAOYSA-N -1 1 417.453 2.566 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000790382771 1078010014 /nfs/dbraw/zinc/01/00/14/1078010014.db2.gz FLDAEKGSVPNSDX-UHFFFAOYSA-N -1 1 419.242 2.600 20 0 HFADMM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1C ZINC000790392814 1078013776 /nfs/dbraw/zinc/01/37/76/1078013776.db2.gz BHPPINJUHCIXMC-UHFFFAOYSA-N -1 1 413.835 2.943 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790403837 1078018872 /nfs/dbraw/zinc/01/88/72/1078018872.db2.gz VQHSGWZGYUBOHQ-RTWAWAEBSA-N -1 1 406.486 2.557 20 0 HFADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c1 ZINC000790402706 1078026619 /nfs/dbraw/zinc/02/66/19/1078026619.db2.gz GRGGRPSWQYHMDI-UHFFFAOYSA-N -1 1 419.228 2.585 20 0 HFADMM O=S(=O)([N-]Cc1cnc2n1CCCC2)c1cc(Br)cnc1Cl ZINC000790461742 1078027672 /nfs/dbraw/zinc/02/76/72/1078027672.db2.gz WFTWVUYLGVREOK-UHFFFAOYSA-N -1 1 405.705 2.509 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc(OC3COC3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806447819 1079718244 /nfs/dbraw/zinc/71/82/44/1079718244.db2.gz YITBQBNWRJPUGJ-MKBNYLNASA-N -1 1 415.412 2.774 20 0 HFADMM C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000806490089 1079739835 /nfs/dbraw/zinc/73/98/35/1079739835.db2.gz AFFRPKOJPKZVKY-AWEZNQCLSA-N -1 1 415.457 2.872 20 0 HFADMM C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806490030 1079740195 /nfs/dbraw/zinc/74/01/95/1079740195.db2.gz LYMJFOUPSVASNA-HOTGVXAUSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)ccnc1-2 ZINC000806492363 1079742586 /nfs/dbraw/zinc/74/25/86/1079742586.db2.gz GRKBQTWZNRITFQ-HIFRSBDPSA-N -1 1 402.499 2.547 20 0 HFADMM C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccc(Br)cc1 ZINC000806492520 1079744027 /nfs/dbraw/zinc/74/40/27/1079744027.db2.gz JIUZZGJMKUQJBI-LLVKDONJSA-N -1 1 404.268 2.693 20 0 HFADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccccc1Br ZINC000806482867 1079769462 /nfs/dbraw/zinc/76/94/62/1079769462.db2.gz RZJNOLTTXFYYGY-NSHDSACASA-N -1 1 404.268 2.693 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccnc1-2 ZINC000806482723 1079769555 /nfs/dbraw/zinc/76/95/55/1079769555.db2.gz PMWBLJZFKMGXRQ-KRWDZBQOSA-N -1 1 410.478 2.729 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC(COc4ccc(Cl)nc4)CC3)ccnc1-2 ZINC000806487703 1079774154 /nfs/dbraw/zinc/77/41/54/1079774154.db2.gz IQDXKJYJWSTFNN-UHFFFAOYSA-N -1 1 400.870 2.713 20 0 HFADMM CSc1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)c2nccn2C)c(=O)[n-]1 ZINC001130676175 1079831717 /nfs/dbraw/zinc/83/17/17/1079831717.db2.gz QLXFOESUDOSWNY-KRWDZBQOSA-N -1 1 411.531 2.979 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCC12CC2 ZINC001130700811 1079900467 /nfs/dbraw/zinc/90/04/67/1079900467.db2.gz IECOUDQXPKWKOP-MCIONIFRSA-N -1 1 418.456 2.947 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccoc1 ZINC001130701801 1079902174 /nfs/dbraw/zinc/90/21/74/1079902174.db2.gz XMOZVFDEHPRUDX-UKRRQHHQSA-N -1 1 418.412 2.592 20 0 HFADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@H]1CCCC12OCCO2 ZINC000806746348 1080000618 /nfs/dbraw/zinc/00/06/18/1080000618.db2.gz FTMSLJQOFYKSJQ-GOSISDBHSA-N -1 1 416.499 2.647 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000747354503 1080012786 /nfs/dbraw/zinc/01/27/86/1080012786.db2.gz BPOZCWHXPRMQRO-UHFFFAOYSA-N -1 1 401.442 2.743 20 0 HFADMM CC(C)Cc1ccc([C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C(C)C)cc1 ZINC000806832998 1080046602 /nfs/dbraw/zinc/04/66/02/1080046602.db2.gz QATOLNDNWWZTNS-FQEVSTJZSA-N -1 1 407.518 2.992 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCC[C@@H]3c3cc4ccccc4[nH]3)ccnc1-2 ZINC000806892035 1080099302 /nfs/dbraw/zinc/09/93/02/1080099302.db2.gz WRZJMTQLGRPKMK-LJQANCHMSA-N -1 1 402.458 2.515 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000747365844 1080152161 /nfs/dbraw/zinc/15/21/61/1080152161.db2.gz CRZPBIBAYQLTIP-UHFFFAOYSA-N -1 1 421.519 2.559 20 0 HFADMM CC(C)[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(C(F)(F)F)cc1 ZINC000806948207 1080158137 /nfs/dbraw/zinc/15/81/37/1080158137.db2.gz YPRFESQQNKXWRE-MRXNPFEDSA-N -1 1 419.407 2.813 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747373045 1080285225 /nfs/dbraw/zinc/28/52/25/1080285225.db2.gz SJRAMTSDKBEYKY-AAEUAGOBSA-N -1 1 410.540 2.978 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCc3cc(O)ccc3C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807181561 1080375435 /nfs/dbraw/zinc/37/54/35/1080375435.db2.gz RRRYPMDILIULTA-HJXMPXNTSA-N -1 1 413.440 2.737 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000747384442 1080451408 /nfs/dbraw/zinc/45/14/08/1080451408.db2.gz UKAXQVJBRUESNI-NSHDSACASA-N -1 1 410.540 2.978 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C(C)C)C1 ZINC000747390217 1080511110 /nfs/dbraw/zinc/51/11/10/1080511110.db2.gz NRPHETAOKIWODB-LLVKDONJSA-N -1 1 408.553 2.693 20 0 HFADMM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nc(Cl)ccc2[O-])C1=O ZINC000807368074 1080568295 /nfs/dbraw/zinc/56/82/95/1080568295.db2.gz GIDHSEXTIIKWQS-NRFANRHFSA-N -1 1 424.844 3.000 20 0 HFADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1S(=O)(=O)NC1CC1 ZINC000747401279 1080765480 /nfs/dbraw/zinc/76/54/80/1080765480.db2.gz GJIWODRWKZUCNR-UHFFFAOYSA-N -1 1 404.492 2.615 20 0 HFADMM Cc1cc(C)cc(-n2ncc(CN[C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])n2)c1 ZINC000756388419 1126108839 /nfs/dbraw/zinc/10/88/39/1126108839.db2.gz NVEBBRSFIDATRN-FQEVSTJZSA-N -1 1 422.485 2.831 20 0 HFADMM CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000790513739 1078048674 /nfs/dbraw/zinc/04/86/74/1078048674.db2.gz GNISXIKDAHKPSW-IBGZPJMESA-N -1 1 406.504 2.755 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000746934690 1078073378 /nfs/dbraw/zinc/07/33/78/1078073378.db2.gz LJTAXMWMBSMKKW-ZDUSSCGKSA-N -1 1 400.410 2.694 20 0 HFADMM CCOC(=O)[C@H](Cc1ccccc1)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746935725 1078077301 /nfs/dbraw/zinc/07/73/01/1078077301.db2.gz SJGSTYLYZXJWBM-SFHVURJKSA-N -1 1 411.458 2.702 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000746936164 1078082894 /nfs/dbraw/zinc/08/28/94/1078082894.db2.gz YSCHPEQVEKKGPU-LBPRGKRZSA-N -1 1 417.853 2.603 20 0 HFADMM Cc1c(Br)ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c1C ZINC000793158960 1078084868 /nfs/dbraw/zinc/08/48/68/1078084868.db2.gz ODLIRMYEUAGJTG-UHFFFAOYSA-N -1 1 408.277 2.832 20 0 HFADMM O=C([N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(F)(F)C1CCOCC1 ZINC000790645778 1078092479 /nfs/dbraw/zinc/09/24/79/1078092479.db2.gz ZLMZOSHFFSEJRI-CQSZACIVSA-N -1 1 406.351 2.989 20 0 HFADMM O=C([N-]S(=O)(=O)c1cc(Cl)c(Br)s1)c1ccc2cncn2c1 ZINC000793173688 1078094277 /nfs/dbraw/zinc/09/42/77/1078094277.db2.gz SJLIQOZAVPFBDO-UHFFFAOYSA-N -1 1 420.697 2.930 20 0 HFADMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000746943038 1078096746 /nfs/dbraw/zinc/09/67/46/1078096746.db2.gz NVSWYXVNOQTMTF-OAHLLOKOSA-N -1 1 424.457 2.757 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H]3C(=O)OCC3(C)C)c2)cc1 ZINC000793295988 1078121008 /nfs/dbraw/zinc/12/10/08/1078121008.db2.gz VTIUYXJQZZUVOO-QGZVFWFLSA-N -1 1 419.455 2.604 20 0 HFADMM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1ccc2cncn2c1 ZINC000793332574 1078141058 /nfs/dbraw/zinc/14/10/58/1078141058.db2.gz FRYILMUIKPVMHN-UHFFFAOYSA-N -1 1 414.668 2.869 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)cc1F ZINC000793356336 1078146277 /nfs/dbraw/zinc/14/62/77/1078146277.db2.gz FNLZWCILBUFCDM-UHFFFAOYSA-N -1 1 403.435 2.966 20 0 HFADMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793367905 1078149889 /nfs/dbraw/zinc/14/98/89/1078149889.db2.gz CBECWXXXVDXPLB-UHFFFAOYSA-N -1 1 408.451 2.861 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)cc1OC ZINC000790819774 1078155112 /nfs/dbraw/zinc/15/51/12/1078155112.db2.gz YCFDBZDJGLJVCP-KRWDZBQOSA-N -1 1 418.943 2.673 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)c(C)cc1F ZINC000793395741 1078166357 /nfs/dbraw/zinc/16/63/57/1078166357.db2.gz WCJUQMZCTZKKIC-UHFFFAOYSA-N -1 1 408.451 2.732 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)c(C)cc1F ZINC000793405741 1078169241 /nfs/dbraw/zinc/16/92/41/1078169241.db2.gz QCPOERIMZUNHJD-UHFFFAOYSA-N -1 1 408.451 2.732 20 0 HFADMM COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1O ZINC000793434049 1078171097 /nfs/dbraw/zinc/17/10/97/1078171097.db2.gz XFPBCXPESCHTAV-UHFFFAOYSA-N -1 1 417.798 2.779 20 0 HFADMM COCc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)cc(C(=O)OC)c1 ZINC000793454095 1078191609 /nfs/dbraw/zinc/19/16/09/1078191609.db2.gz VSRZSNKAVMMNHX-TWGQIWQCSA-N -1 1 419.455 2.607 20 0 HFADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H](F)CC1CCCCC1 ZINC000793737245 1078285647 /nfs/dbraw/zinc/28/56/47/1078285647.db2.gz XNLSVCARLHABHC-MRXNPFEDSA-N -1 1 414.499 2.660 20 0 HFADMM CCOC(=O)[C@@H](C)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000747164588 1078352122 /nfs/dbraw/zinc/35/21/22/1078352122.db2.gz QFXWOXSPCAXZLZ-ZDUSSCGKSA-N -1 1 409.435 2.983 20 0 HFADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(=O)N1CCCC1 ZINC000794408023 1078428115 /nfs/dbraw/zinc/42/81/15/1078428115.db2.gz OAVBAJSTRDFRHX-UHFFFAOYSA-N -1 1 415.515 2.618 20 0 HFADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000804384404 1078444202 /nfs/dbraw/zinc/44/42/02/1078444202.db2.gz CNUVOMOKXNMHHO-JXNBKPOHSA-N -1 1 414.380 2.998 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccc(-c4noc(CC(C)(C)C)n4)c3)nc2n1 ZINC001129519049 1078531344 /nfs/dbraw/zinc/53/13/44/1078531344.db2.gz FHEFSYVLQBZAAT-UHFFFAOYSA-N -1 1 407.434 2.617 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(F)c(Br)c(Cl)c3)nc2n1 ZINC001129520599 1078532054 /nfs/dbraw/zinc/53/20/54/1078532054.db2.gz PGLVWZBGVCILHQ-UHFFFAOYSA-N -1 1 400.595 2.533 20 0 HFADMM C[C@H]1CCN(C(=O)NCCc2nc3ccccc3[nH]2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804879329 1078703884 /nfs/dbraw/zinc/70/38/84/1078703884.db2.gz DGOIOMRYWVNSFZ-MKBNYLNASA-N -1 1 411.428 2.592 20 0 HFADMM COc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000804635527 1078716654 /nfs/dbraw/zinc/71/66/54/1078716654.db2.gz MKBLWGQLNJDXCT-ZIAGYGMSSA-N -1 1 412.870 2.564 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c(Br)n1C ZINC000804950209 1078778533 /nfs/dbraw/zinc/77/85/33/1078778533.db2.gz RUXRJVUOWAJFQO-UHFFFAOYSA-N -1 1 411.281 2.625 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c(Br)n1C ZINC000804955334 1078797060 /nfs/dbraw/zinc/79/70/60/1078797060.db2.gz RPEDTDBTWCGICG-UHFFFAOYSA-N -1 1 402.289 2.640 20 0 HFADMM CC[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1ccccc1F ZINC000805026826 1078838886 /nfs/dbraw/zinc/83/88/86/1078838886.db2.gz CGMULHNCDRIIKE-LLVKDONJSA-N -1 1 420.304 2.766 20 0 HFADMM CCO[C@H](CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)C1CCCC1 ZINC000805025458 1078838006 /nfs/dbraw/zinc/83/80/06/1078838006.db2.gz RTMAZLSKRAXQPG-CYBMUJFWSA-N -1 1 408.362 2.755 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c(Br)n1C ZINC000805040801 1078857552 /nfs/dbraw/zinc/85/75/52/1078857552.db2.gz YWWOJVJJXFAVLX-LBPRGKRZSA-N -1 1 406.346 2.651 20 0 HFADMM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805055644 1078868215 /nfs/dbraw/zinc/86/82/15/1078868215.db2.gz ZGANHGKUNHCAQU-TVQRCGJNSA-N -1 1 420.304 2.685 20 0 HFADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)CO2 ZINC000805037355 1078883849 /nfs/dbraw/zinc/88/38/49/1078883849.db2.gz ZMEDSTNWNVPKIU-LBPRGKRZSA-N -1 1 421.418 2.701 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c(Br)n1C ZINC000805084671 1078914357 /nfs/dbraw/zinc/91/43/57/1078914357.db2.gz RRIYDBPMYSQDCN-ZDUSSCGKSA-N -1 1 402.289 2.986 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c(Br)n1C ZINC000805086247 1078916128 /nfs/dbraw/zinc/91/61/28/1078916128.db2.gz BAMDYEKUMOUURS-AULYBMBSSA-N -1 1 402.289 2.855 20 0 HFADMM Cc1[nH]nc2nc(C)cc(C(=O)N3c4ccccc4C[C@@H]3C[N-]C(=O)C(F)(F)F)c12 ZINC001130086514 1078922795 /nfs/dbraw/zinc/92/27/95/1078922795.db2.gz CLALOOOSJZBBCJ-CYBMUJFWSA-N -1 1 417.391 2.825 20 0 HFADMM O=C(COC(=O)c1cc(-n2cccc2)ccn1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000805712133 1079232698 /nfs/dbraw/zinc/23/26/98/1079232698.db2.gz ILGDTJVAOBZEKF-UHFFFAOYSA-N -1 1 415.352 2.587 20 0 HFADMM O=C(COC(=O)c1ccccc1OC1CC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000805726023 1079237681 /nfs/dbraw/zinc/23/76/81/1079237681.db2.gz SOEAZSNBTFXHNZ-UHFFFAOYSA-N -1 1 405.353 2.943 20 0 HFADMM C[C@H]1CCN(CC(=O)NCc2cccc(Cl)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789042 1079256067 /nfs/dbraw/zinc/25/60/67/1079256067.db2.gz UHGJPYFWNYDSSN-MKBNYLNASA-N -1 1 405.848 2.734 20 0 HFADMM C[C@H]1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788875 1079256625 /nfs/dbraw/zinc/25/66/25/1079256625.db2.gz PMEWNZGGICDKPN-PDVMFTSQSA-N -1 1 411.468 2.958 20 0 HFADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(CC(=O)[N-]OCc1ccccc1)C2 ZINC000805794431 1079259144 /nfs/dbraw/zinc/25/91/44/1079259144.db2.gz VAYSPTOHMXAGOJ-QFIPXVFZSA-N -1 1 403.523 2.957 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000806020492 1079394659 /nfs/dbraw/zinc/39/46/59/1079394659.db2.gz RZIBUMNMBCDTDP-AWEZNQCLSA-N -1 1 412.490 2.723 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC000806017892 1079391504 /nfs/dbraw/zinc/39/15/04/1079391504.db2.gz LEWIAPKHZCBJSN-HNNXBMFYSA-N -1 1 412.490 2.723 20 0 HFADMM COC(=O)c1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1F ZINC000806017237 1079391826 /nfs/dbraw/zinc/39/18/26/1079391826.db2.gz BUWHOFLWHBCDEF-UHFFFAOYSA-N -1 1 411.389 2.878 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(-n2ccnc2)c1 ZINC000806019078 1079393686 /nfs/dbraw/zinc/39/36/86/1079393686.db2.gz OMEGIHGJXJQMPN-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000806020493 1079394526 /nfs/dbraw/zinc/39/45/26/1079394526.db2.gz RZIBUMNMBCDTDP-CQSZACIVSA-N -1 1 412.490 2.723 20 0 HFADMM Cc1nc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)nn1-c1ccccc1 ZINC000806020272 1079394626 /nfs/dbraw/zinc/39/46/26/1079394626.db2.gz MUFXUIMELOYYNR-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@H]2CC(=O)N(C)[C@@H]2C)c1 ZINC000806076057 1079415251 /nfs/dbraw/zinc/41/52/51/1079415251.db2.gz ROPJATRZORJYNJ-BEFAXECRSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)cc2)cc1C ZINC000806077854 1079415959 /nfs/dbraw/zinc/41/59/59/1079415959.db2.gz FAVLVPVQEVLTJT-BEFAXECRSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H]3CC(=O)N(C)[C@H]3C)c2)c1 ZINC000806078610 1079416133 /nfs/dbraw/zinc/41/61/33/1079416133.db2.gz OZCDDYLLVLOIRE-KSSFIOAISA-N -1 1 402.472 2.572 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@@H]3C)cc2)cc1 ZINC000806080733 1079416562 /nfs/dbraw/zinc/41/65/62/1079416562.db2.gz IFULJMZWXHWTHG-RDTXWAMCSA-N -1 1 402.472 2.572 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@H]1CC(=O)N(C)[C@@H]1C ZINC000806067730 1079433584 /nfs/dbraw/zinc/43/35/84/1079433584.db2.gz VIEOOUNFCPGJCV-ACJLOTCBSA-N -1 1 420.462 2.711 20 0 HFADMM C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000746693139 1076871203 /nfs/dbraw/zinc/87/12/03/1076871203.db2.gz LUJLRSWISXRGQC-CZUORRHYSA-N -1 1 413.927 2.677 20 0 HFADMM COc1ccccc1CO[N-]C(=O)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000787735312 1076935241 /nfs/dbraw/zinc/93/52/41/1076935241.db2.gz FRDLJDXGWCLJOK-FQEVSTJZSA-N -1 1 411.502 2.586 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n[n-]1 ZINC000787907416 1076989765 /nfs/dbraw/zinc/98/97/65/1076989765.db2.gz ZZDHTZSYNSNXNY-SFHVURJKSA-N -1 1 418.457 2.605 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)n1 ZINC000787907416 1076989767 /nfs/dbraw/zinc/98/97/67/1076989767.db2.gz ZZDHTZSYNSNXNY-SFHVURJKSA-N -1 1 418.457 2.605 20 0 HFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NOC[C@H]2CCOC2)cc1 ZINC000788117649 1077058502 /nfs/dbraw/zinc/05/85/02/1077058502.db2.gz JNXZXCAATFIOIK-AWEZNQCLSA-N -1 1 408.451 2.633 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)cc1C ZINC000788122988 1077059839 /nfs/dbraw/zinc/05/98/39/1077059839.db2.gz PCEUCFLCDGDDOK-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NOC[C@@H]1CCOC1 ZINC000788125591 1077060293 /nfs/dbraw/zinc/06/02/93/1077060293.db2.gz ICOXXLZMSSVXTN-QGZVFWFLSA-N -1 1 419.503 2.597 20 0 HFADMM COc1ccc(NC(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000788624275 1077233132 /nfs/dbraw/zinc/23/31/32/1077233132.db2.gz MTAWRHKVIJTBTE-OALUTQOASA-N -1 1 421.519 2.946 20 0 HFADMM COc1ccc(NC(=O)N[C@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000788624268 1077233199 /nfs/dbraw/zinc/23/31/99/1077233199.db2.gz MTAWRHKVIJTBTE-MOPGFXCFSA-N -1 1 421.519 2.946 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H](C)COc3ccccc3)c2)n1 ZINC000788889457 1077332626 /nfs/dbraw/zinc/33/26/26/1077332626.db2.gz UTNOMAYCDHOFPB-OAHLLOKOSA-N -1 1 423.473 2.915 20 0 HFADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCc1ncccn1 ZINC000791302418 1077364340 /nfs/dbraw/zinc/36/43/40/1077364340.db2.gz RHTDFSDXOKSQGC-UHFFFAOYSA-N -1 1 401.419 2.702 20 0 HFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCN(C)C(=O)OC(C)(C)C ZINC000791342412 1077380050 /nfs/dbraw/zinc/38/00/50/1077380050.db2.gz DLJDLCXEAGNHOB-UHFFFAOYSA-N -1 1 400.497 2.862 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2n[nH]c(CCC3CCCC3)n2)cc1 ZINC000791437931 1077407625 /nfs/dbraw/zinc/40/76/25/1077407625.db2.gz NTFMZZRUIKGOCX-UHFFFAOYSA-N -1 1 408.549 2.833 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000791437931 1077407628 /nfs/dbraw/zinc/40/76/28/1077407628.db2.gz NTFMZZRUIKGOCX-UHFFFAOYSA-N -1 1 408.549 2.833 20 0 HFADMM CS(=O)(=O)CC[C@@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000789108935 1077417468 /nfs/dbraw/zinc/41/74/68/1077417468.db2.gz QMQCOZMOVCHSQT-GOSISDBHSA-N -1 1 416.451 2.760 20 0 HFADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)c1 ZINC000747016730 1077425355 /nfs/dbraw/zinc/42/53/55/1077425355.db2.gz KJKRKAOAIDTDBX-UHFFFAOYSA-N -1 1 413.474 2.640 20 0 HFADMM O=C([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1[nH]nc2c1CCCCC2 ZINC000789369205 1077541876 /nfs/dbraw/zinc/54/18/76/1077541876.db2.gz OKFLPUFFFCIYLG-UHFFFAOYSA-N -1 1 405.373 2.955 20 0 HFADMM Cc1ccccc1-n1ncc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c1C(C)C ZINC000791874805 1077595144 /nfs/dbraw/zinc/59/51/44/1077595144.db2.gz UDLIGWFFIOZCMU-UHFFFAOYSA-N -1 1 420.473 2.743 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](C)c2ccc(Br)cc2)o1 ZINC000791984552 1077622685 /nfs/dbraw/zinc/62/26/85/1077622685.db2.gz HGPPVLBLJOWNRH-JTQLQIEISA-N -1 1 402.266 2.911 20 0 HFADMM CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000792054194 1077659949 /nfs/dbraw/zinc/65/99/49/1077659949.db2.gz ZBSWDEBGVXLTKG-UHFFFAOYSA-N -1 1 413.245 2.598 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)o1 ZINC000789647854 1077718693 /nfs/dbraw/zinc/71/86/93/1077718693.db2.gz BUCQXHFKWRGWCQ-ZWNOBZJWSA-N -1 1 413.414 2.871 20 0 HFADMM C[C@@H](O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000792203149 1077744728 /nfs/dbraw/zinc/74/47/28/1077744728.db2.gz NLVMLSSMPDMXQB-LLVKDONJSA-N -1 1 414.277 2.788 20 0 HFADMM CSc1nc(C)c(CCC(=O)OCc2nnc(-c3ccc(F)cc3)n2C)c(=O)[n-]1 ZINC000789712359 1077750472 /nfs/dbraw/zinc/75/04/72/1077750472.db2.gz LGJKFBHUJARTIV-UHFFFAOYSA-N -1 1 417.466 2.823 20 0 HFADMM Cc1ccc(NC(=O)[C@H]2NC(=O)O[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000789942050 1077861462 /nfs/dbraw/zinc/86/14/62/1077861462.db2.gz QRFMZNHWJIYNBR-BZNIZROVSA-N -1 1 423.878 2.885 20 0 HFADMM C[C@H](CNC(=O)c1cc(I)ccc1[O-])NC(=O)OC(C)(C)C ZINC000792517546 1077884023 /nfs/dbraw/zinc/88/40/23/1077884023.db2.gz STFBJHDLCHMSAU-SECBINFHSA-N -1 1 420.247 2.640 20 0 HFADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000792536550 1077892108 /nfs/dbraw/zinc/89/21/08/1077892108.db2.gz YYJGZDQFISZUFM-CKEIUWERSA-N -1 1 414.531 2.732 20 0 HFADMM CCc1nc2cc(Br)ccc2c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001170220121 1077910704 /nfs/dbraw/zinc/91/07/04/1077910704.db2.gz TZACVNFZAXFUHQ-UHFFFAOYSA-N -1 1 402.212 2.727 20 0 HFADMM CCC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@@H](O)c1ccccc1 ZINC000792577512 1077915295 /nfs/dbraw/zinc/91/52/95/1077915295.db2.gz AWCAACGALCFXGX-FPOVZHCZSA-N -1 1 406.486 2.701 20 0 HFADMM COCCOc1ccc(-n2nc(C)c(C(=O)Nc3nc(Cl)ccc3[O-])n2)cc1 ZINC000790047117 1077928142 /nfs/dbraw/zinc/92/81/42/1077928142.db2.gz FZWWIOFIJPTLBN-UHFFFAOYSA-N -1 1 403.826 2.607 20 0 HFADMM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nc(Br)ccc1[O-] ZINC000790047128 1077928159 /nfs/dbraw/zinc/92/81/59/1077928159.db2.gz WVYUNSGTOHJONY-UHFFFAOYSA-N -1 1 404.224 2.667 20 0 HFADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4oc(=O)ccc4c3)cc2CC1 ZINC000790054490 1077933153 /nfs/dbraw/zinc/93/31/53/1077933153.db2.gz PCVZLTIPVUUGLG-UHFFFAOYSA-N -1 1 412.467 2.541 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000790057056 1077934550 /nfs/dbraw/zinc/93/45/50/1077934550.db2.gz UFPYFOJJWJMJGT-UHFFFAOYSA-N -1 1 410.814 2.961 20 0 HFADMM COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790062569 1077935603 /nfs/dbraw/zinc/93/56/03/1077935603.db2.gz JNMDIUFBNLWWQK-LBPRGKRZSA-N -1 1 409.895 2.939 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3ccn(C)c(=O)c3c2)c1Cl ZINC000790091136 1077946076 /nfs/dbraw/zinc/94/60/76/1077946076.db2.gz OOZJANAUJSZMBR-UHFFFAOYSA-N -1 1 406.847 2.999 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC[C@@H]3CC(=O)N(C)C3)ccc2C)c1 ZINC000772750289 1077960265 /nfs/dbraw/zinc/96/02/65/1077960265.db2.gz LJSIWEJXLKIBOT-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc4c(c3)CCN4C)c2)n1 ZINC000790159722 1077962247 /nfs/dbraw/zinc/96/22/47/1077962247.db2.gz JQADTQBDOSRDLI-UHFFFAOYSA-N -1 1 405.458 2.571 20 0 HFADMM O=S(=O)([N-]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1cc(Cl)ccc1F ZINC000790254148 1077977918 /nfs/dbraw/zinc/97/79/18/1077977918.db2.gz FZCFKVMNGRAVAX-ZDUSSCGKSA-N -1 1 422.261 2.916 20 0 HFADMM O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1c([O-])cccc1Cl ZINC000790225424 1077980324 /nfs/dbraw/zinc/98/03/24/1077980324.db2.gz PMSUAVGVMBAZJI-OAHLLOKOSA-N -1 1 420.868 2.632 20 0 HFADMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c1 ZINC000790350012 1078001114 /nfs/dbraw/zinc/00/11/14/1078001114.db2.gz CITOMZUXRAKLGI-UHFFFAOYSA-N -1 1 411.277 2.995 20 0 HFADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000792819502 1078004360 /nfs/dbraw/zinc/00/43/60/1078004360.db2.gz VDXKINAATRXOOF-MRXNPFEDSA-N -1 1 400.408 2.503 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1C(=O)[O-] ZINC000790395044 1078014392 /nfs/dbraw/zinc/01/43/92/1078014392.db2.gz ZSHXRRZCVAPQQA-UHFFFAOYSA-N -1 1 422.850 2.941 20 0 HFADMM O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000790394703 1078014437 /nfs/dbraw/zinc/01/44/37/1078014437.db2.gz UPBCPQQTXBFFPE-UHFFFAOYSA-N -1 1 413.377 2.648 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790394436 1078014526 /nfs/dbraw/zinc/01/45/26/1078014526.db2.gz OBYRDYRDNSEAKG-RTWAWAEBSA-N -1 1 406.486 2.970 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cc1C(=O)[O-] ZINC000790406905 1078019658 /nfs/dbraw/zinc/01/96/58/1078019658.db2.gz XUCVIOUOORMWSI-VWLOTQADSA-N -1 1 417.892 2.726 20 0 HFADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cc(F)c(F)cc2C)c(OC)c1 ZINC000790414224 1078021201 /nfs/dbraw/zinc/02/12/01/1078021201.db2.gz MLHHDJOPNYCZGD-UHFFFAOYSA-N -1 1 421.443 2.811 20 0 HFADMM Cn1cnc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)c1Cl ZINC000790432870 1078029207 /nfs/dbraw/zinc/02/92/07/1078029207.db2.gz FEAGQQCXDAZXFO-LLVKDONJSA-N -1 1 405.705 2.661 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccn(Cc3ccncc3)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806285315 1079548580 /nfs/dbraw/zinc/54/85/80/1079548580.db2.gz IKIIUTLNRMEHGD-XEZPLFJOSA-N -1 1 424.427 2.636 20 0 HFADMM Cc1ccnc(-n2nccc2NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000806435023 1079682201 /nfs/dbraw/zinc/68/22/01/1079682201.db2.gz ASIHARUCAOISPD-XEZPLFJOSA-N -1 1 424.427 2.885 20 0 HFADMM C[C@@H](CCO)C1(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC000805260362 1079683278 /nfs/dbraw/zinc/68/32/78/1079683278.db2.gz ZQMZUNFYLLEPOM-AJNGGQMLSA-N -1 1 407.477 2.662 20 0 HFADMM CC(C)[C@@H](CCN(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2)NC(=O)OC(C)(C)C ZINC000806492909 1079744078 /nfs/dbraw/zinc/74/40/78/1079744078.db2.gz PUEBRBDQVQZMSE-OAHLLOKOSA-N -1 1 404.515 2.745 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCC3(c4ccc5c(c4)OCCO5)CCCC3)ccnc1-2 ZINC000806492687 1079744285 /nfs/dbraw/zinc/74/42/85/1079744285.db2.gz LMRWHMQZFKHQNH-UHFFFAOYSA-N -1 1 407.474 2.747 20 0 HFADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482991 1079768845 /nfs/dbraw/zinc/76/88/45/1079768845.db2.gz XCHVUMSXLJFKHX-CZUORRHYSA-N -1 1 402.499 2.641 20 0 HFADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482990 1079769077 /nfs/dbraw/zinc/76/90/77/1079769077.db2.gz XCHVUMSXLJFKHX-CJNGLKHVSA-N -1 1 402.499 2.641 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3cccc(NC(=O)c4ccccc4)c3)ccnc1-2 ZINC000806484450 1079770678 /nfs/dbraw/zinc/77/06/78/1079770678.db2.gz BYMFUBLFOKLSDQ-UHFFFAOYSA-N -1 1 400.442 2.916 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](NC(=O)c4cc5ccccc5o4)C3)ccnc1-2 ZINC000806485170 1079771181 /nfs/dbraw/zinc/77/11/81/1079771181.db2.gz VDVIXCATBPDITM-HNNXBMFYSA-N -1 1 418.457 2.514 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806487856 1079773459 /nfs/dbraw/zinc/77/34/59/1079773459.db2.gz FTNYMYQJDANGOK-INIZCTEOSA-N -1 1 405.380 2.966 20 0 HFADMM Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000806568235 1079826391 /nfs/dbraw/zinc/82/63/91/1079826391.db2.gz QETRLTSOGUTMPC-KSSFIOAISA-N -1 1 406.479 2.774 20 0 HFADMM COC(=O)c1oc(CNC(=O)c2ccc(I)cc2[O-])cc1C ZINC001170510628 1079855463 /nfs/dbraw/zinc/85/54/63/1079855463.db2.gz XZTCUPCMWMXSKS-UHFFFAOYSA-N -1 1 415.183 2.615 20 0 HFADMM C[C@@H](O)c1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806651771 1079871110 /nfs/dbraw/zinc/87/11/10/1079871110.db2.gz JEQLPHCWGHMHGG-JFILPPLUSA-N -1 1 401.429 2.727 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccoc1 ZINC001130701802 1079902118 /nfs/dbraw/zinc/90/21/18/1079902118.db2.gz XMOZVFDEHPRUDX-ZFWWWQNUSA-N -1 1 418.412 2.592 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccoc1 ZINC001130701800 1079902241 /nfs/dbraw/zinc/90/22/41/1079902241.db2.gz XMOZVFDEHPRUDX-HIFRSBDPSA-N -1 1 418.412 2.592 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCC(c3ccccc3)c3ccccc3)ccnc1-2 ZINC000806828903 1080043508 /nfs/dbraw/zinc/04/35/08/1080043508.db2.gz LMVKLBHKUFCGIL-UHFFFAOYSA-N -1 1 413.481 2.619 20 0 HFADMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806872414 1080073466 /nfs/dbraw/zinc/07/34/66/1080073466.db2.gz JBAPCAWLEIEDMQ-NSHDSACASA-N -1 1 405.380 2.519 20 0 HFADMM CCC[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806881718 1080079402 /nfs/dbraw/zinc/07/94/02/1080079402.db2.gz IUKLEDCBCCGEEI-OAHLLOKOSA-N -1 1 419.407 2.957 20 0 HFADMM CCC(CC)(CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1 ZINC000806882251 1080080366 /nfs/dbraw/zinc/08/03/66/1080080366.db2.gz JPHLBULRBOBFTA-UHFFFAOYSA-N -1 1 413.909 2.808 20 0 HFADMM Cc1cccc(Oc2ccccc2CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806889603 1080086366 /nfs/dbraw/zinc/08/63/66/1080086366.db2.gz AWPYSYVJLBNCEB-UHFFFAOYSA-N -1 1 415.453 2.697 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](Cc3ccccc3)c3ccccc3F)ccnc1-2 ZINC000806913886 1080117877 /nfs/dbraw/zinc/11/78/77/1080117877.db2.gz IMIQPRXEEOLZTK-FQEVSTJZSA-N -1 1 417.444 2.520 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000806959169 1080125825 /nfs/dbraw/zinc/12/58/25/1080125825.db2.gz LTJQKTJUTHNLKW-AWEZNQCLSA-N -1 1 417.444 2.964 20 0 HFADMM Cc1ccc(SC2(CNC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)CCCC2)cc1 ZINC000806934520 1080141998 /nfs/dbraw/zinc/14/19/98/1080141998.db2.gz WLDDMKROFYAAEA-UHFFFAOYSA-N -1 1 423.542 2.810 20 0 HFADMM Cc1cccc(C)c1OC[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(C)(C)C ZINC000806938404 1080146656 /nfs/dbraw/zinc/14/66/56/1080146656.db2.gz YTVLDTAGCUPDJM-SFHVURJKSA-N -1 1 423.517 2.507 20 0 HFADMM Cc1cccc(COc2cccc(NC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)c2)c1 ZINC000807012839 1080210304 /nfs/dbraw/zinc/21/03/04/1080210304.db2.gz WPTOBMJHWUBMTQ-UHFFFAOYSA-N -1 1 415.453 2.806 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@@H]3/C=C\c3ccccc3)ccnc1-2 ZINC000807024507 1080219430 /nfs/dbraw/zinc/21/94/30/1080219430.db2.gz YBCUKVIYBATAOC-ATZHASMZSA-N -1 1 403.486 2.765 20 0 HFADMM Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807313510 1080507108 /nfs/dbraw/zinc/50/71/08/1080507108.db2.gz IQIUAMZWGPRRKO-UHFFFAOYSA-N -1 1 406.490 2.608 20 0 HFADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807493303 1080682391 /nfs/dbraw/zinc/68/23/91/1080682391.db2.gz RALGSALPLVXYAB-KWBADKCTSA-N -1 1 405.804 2.583 20 0 HFADMM C[C@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000780392085 939113873 /nfs/dbraw/zinc/11/38/73/939113873.db2.gz JELMFBGOKFJENC-XGHQBKJUSA-N -1 1 411.502 2.921 20 0 HFADMM C[C@]1(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC(=O)N1 ZINC000793046880 1078056063 /nfs/dbraw/zinc/05/60/63/1078056063.db2.gz DUFPFRJXDYFYOD-FQEVSTJZSA-N -1 1 401.488 2.875 20 0 HFADMM CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000790595642 1078063606 /nfs/dbraw/zinc/06/36/06/1078063606.db2.gz XTUJOHCWMPTBMD-HXUWFJFHSA-N -1 1 417.469 2.516 20 0 HFADMM CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746935721 1078077289 /nfs/dbraw/zinc/07/72/89/1078077289.db2.gz SJGSTYLYZXJWBM-GOSISDBHSA-N -1 1 411.458 2.702 20 0 HFADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793280461 1078127034 /nfs/dbraw/zinc/12/70/34/1078127034.db2.gz NWVYQIWJTGGRRV-GFCCVEGCSA-N -1 1 423.878 2.520 20 0 HFADMM C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC000793346040 1078131884 /nfs/dbraw/zinc/13/18/84/1078131884.db2.gz QBFRHKJOGLSLPD-NSHDSACASA-N -1 1 404.891 2.672 20 0 HFADMM O=C(NOCc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000746945123 1078135985 /nfs/dbraw/zinc/13/59/85/1078135985.db2.gz DXNOKDOMHBMADR-UHFFFAOYSA-N -1 1 401.419 2.883 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC)cc2)c(C)cc1F ZINC000793380355 1078153779 /nfs/dbraw/zinc/15/37/79/1078153779.db2.gz GUKRNAUSPWDHFM-UHFFFAOYSA-N -1 1 410.423 2.924 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000793414864 1078160141 /nfs/dbraw/zinc/16/01/41/1078160141.db2.gz HNGNXCKXGBYTPI-UHFFFAOYSA-N -1 1 401.444 2.811 20 0 HFADMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793393207 1078165271 /nfs/dbraw/zinc/16/52/71/1078165271.db2.gz CMHCGVHIVLMPQV-UHFFFAOYSA-N -1 1 409.435 2.827 20 0 HFADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793442324 1078173026 /nfs/dbraw/zinc/17/30/26/1078173026.db2.gz HSEAAAJUGJAKBF-UHFFFAOYSA-N -1 1 408.451 2.813 20 0 HFADMM C[C@](O)(CSc1cccc(F)c1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793468417 1078182586 /nfs/dbraw/zinc/18/25/86/1078182586.db2.gz JGHGNDNDRQUWOR-PXAZEXFGSA-N -1 1 422.444 2.586 20 0 HFADMM C[C@@](O)(CSc1cccc(F)c1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793468421 1078182912 /nfs/dbraw/zinc/18/29/12/1078182912.db2.gz JGHGNDNDRQUWOR-SJKOYZFVSA-N -1 1 422.444 2.586 20 0 HFADMM C[C@@]1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCOC1=O ZINC000794088026 1078371241 /nfs/dbraw/zinc/37/12/41/1078371241.db2.gz PGAVBZIVFIIIOI-GOSISDBHSA-N -1 1 408.863 2.576 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c1)OCC(F)(F)F ZINC000804395380 1078452428 /nfs/dbraw/zinc/45/24/28/1078452428.db2.gz QVSMYTLTSKTWSS-ZFWWWQNUSA-N -1 1 418.368 2.523 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 ZINC000747206083 1078507022 /nfs/dbraw/zinc/50/70/22/1078507022.db2.gz IOVPNEAMVBYNBW-ZDUSSCGKSA-N -1 1 409.450 2.658 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000747208234 1078529862 /nfs/dbraw/zinc/52/98/62/1078529862.db2.gz TUMTVUCGPHUAQB-UHFFFAOYSA-N -1 1 418.457 2.724 20 0 HFADMM Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1c([O-])cccc1Cl ZINC000804743512 1078578478 /nfs/dbraw/zinc/57/84/78/1078578478.db2.gz WUTJERBIRBRAEQ-UHFFFAOYSA-N -1 1 403.287 2.716 20 0 HFADMM CN1C(=O)C[C@@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)[C@H]1c1cccc(Cl)c1 ZINC001129638742 1078616354 /nfs/dbraw/zinc/61/63/54/1078616354.db2.gz CSPZEMDMVOHALY-RHSMWYFYSA-N -1 1 400.866 2.873 20 0 HFADMM COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)CCC(=O)N2C)cc1 ZINC001129640117 1078617428 /nfs/dbraw/zinc/61/74/28/1078617428.db2.gz ZACYIRVSRVMLDG-QFBILLFUSA-N -1 1 410.474 2.618 20 0 HFADMM COC(=O)Nc1cccc(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000804609164 1078654785 /nfs/dbraw/zinc/65/47/85/1078654785.db2.gz PXWBURBQUYFNBE-UHFFFAOYSA-N -1 1 407.430 2.590 20 0 HFADMM COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000804884068 1078713222 /nfs/dbraw/zinc/71/32/22/1078713222.db2.gz ONTMKPGCHKSKNS-CQSZACIVSA-N -1 1 412.870 2.670 20 0 HFADMM C[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000804889351 1078747683 /nfs/dbraw/zinc/74/76/83/1078747683.db2.gz LBEOKXSQQYBFQE-YWDSYVAPSA-N -1 1 415.412 2.963 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(Br)n1C ZINC000804939417 1078765206 /nfs/dbraw/zinc/76/52/06/1078765206.db2.gz LZZCRQTYRAAHLA-OAHLLOKOSA-N -1 1 421.320 2.954 20 0 HFADMM CC(=O)Nc1cccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000804945162 1078774467 /nfs/dbraw/zinc/77/44/67/1078774467.db2.gz SHNGECDSJUPRTK-MKBNYLNASA-N -1 1 414.428 2.632 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c(Br)n1C ZINC000804978087 1078814005 /nfs/dbraw/zinc/81/40/05/1078814005.db2.gz IRSXMICBSOXUSO-LBPRGKRZSA-N -1 1 400.298 2.683 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)c(Br)n1C ZINC000804986323 1078823140 /nfs/dbraw/zinc/82/31/40/1078823140.db2.gz NIDYDMKVQOYKNO-UHFFFAOYSA-N -1 1 407.359 2.592 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)c(Br)n1C ZINC000805017717 1078828725 /nfs/dbraw/zinc/82/87/25/1078828725.db2.gz KUTNBGCZPNOBRK-NSHDSACASA-N -1 1 402.314 2.545 20 0 HFADMM CC[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1cccc(F)c1 ZINC000805031039 1078844287 /nfs/dbraw/zinc/84/42/87/1078844287.db2.gz RKSJFLSYPVHAHW-GFCCVEGCSA-N -1 1 420.304 2.766 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)c2ccc3ccccc3c2)c(Br)n1C ZINC000805009302 1078854255 /nfs/dbraw/zinc/85/42/55/1078854255.db2.gz PINVQKKXEVWUIG-HNNXBMFYSA-N -1 1 424.320 2.656 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOCCCOC)cc2)cc1 ZINC000805045851 1078860416 /nfs/dbraw/zinc/86/04/16/1078860416.db2.gz YSXRNDDSBKGYBV-UHFFFAOYSA-N -1 1 408.476 2.584 20 0 HFADMM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805055640 1078868244 /nfs/dbraw/zinc/86/82/44/1078868244.db2.gz ZGANHGKUNHCAQU-NOZJJQNGSA-N -1 1 420.304 2.685 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOCCCOC)c2)cc1 ZINC000805036785 1078882641 /nfs/dbraw/zinc/88/26/41/1078882641.db2.gz NTWKKWBZMWJOHA-UHFFFAOYSA-N -1 1 408.476 2.584 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](O)c2ccccc2)c(Br)n1C ZINC000805083063 1078912511 /nfs/dbraw/zinc/91/25/11/1078912511.db2.gz JBMCRHSSPSWRCC-KBPBESRZSA-N -1 1 416.341 2.528 20 0 HFADMM O=S(=O)([N-]CC(F)(F)c1ccccc1)c1ccccc1S(=O)(=O)C(F)F ZINC000805075701 1078906959 /nfs/dbraw/zinc/90/69/59/1078906959.db2.gz BTWOKXXUQVUUIG-UHFFFAOYSA-N -1 1 411.398 2.753 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(CC(F)F)CC1)C(F)(F)F ZINC001130087179 1078923512 /nfs/dbraw/zinc/92/35/12/1078923512.db2.gz MPRRZCIPRZICOE-AWEZNQCLSA-N -1 1 419.394 2.600 20 0 HFADMM COc1c(C)cc(C)cc1S(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805126114 1078923922 /nfs/dbraw/zinc/92/39/22/1078923922.db2.gz BAHQZRFXIUSJJT-WHOFXGATSA-N -1 1 422.469 2.778 20 0 HFADMM CCO[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000805081135 1078912529 /nfs/dbraw/zinc/91/25/29/1078912529.db2.gz QKIZQWRKELXSKW-ZDUSSCGKSA-N -1 1 402.314 2.547 20 0 HFADMM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@H]3CCCC3(F)F)cc21 ZINC000805143405 1078943138 /nfs/dbraw/zinc/94/31/38/1078943138.db2.gz JMYFYHOEQUOMLP-AWEZNQCLSA-N -1 1 423.279 2.824 20 0 HFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)c2nncn2C)cc1 ZINC000805540285 1079129637 /nfs/dbraw/zinc/12/96/37/1079129637.db2.gz NIWSHLCQSCYXFS-CYBMUJFWSA-N -1 1 418.450 2.981 20 0 HFADMM COCCn1c(C)cc(C(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1C ZINC000805788206 1079255604 /nfs/dbraw/zinc/25/56/04/1079255604.db2.gz BRUWSGJQSMBADQ-QITLCBANSA-N -1 1 417.472 2.711 20 0 HFADMM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805789085 1079256022 /nfs/dbraw/zinc/25/60/22/1079256022.db2.gz UVFDTYPWYYVWOM-ZOBUZTSGSA-N -1 1 420.497 2.936 20 0 HFADMM COc1ccc2c(c1)OC[C@@H](C(=O)OCCc1c(C)nc(-c3ccccn3)[n-]c1=O)C2 ZINC000806017240 1079391812 /nfs/dbraw/zinc/39/18/12/1079391812.db2.gz BXXXVOGNKDRFBB-INIZCTEOSA-N -1 1 421.453 2.898 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(Cc2ccccc2)nn1 ZINC000806019565 1079393522 /nfs/dbraw/zinc/39/35/22/1079393522.db2.gz JYLJXTUQARQEIX-UHFFFAOYSA-N -1 1 416.441 2.592 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000806019927 1079393675 /nfs/dbraw/zinc/39/36/75/1079393675.db2.gz NKHWUZWSSJWIPB-INIZCTEOSA-N -1 1 424.501 2.820 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000806019887 1079393788 /nfs/dbraw/zinc/39/37/88/1079393788.db2.gz IEUBLRXTZSTBGM-UHFFFAOYSA-N -1 1 406.442 2.654 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000806020567 1079394215 /nfs/dbraw/zinc/39/42/15/1079394215.db2.gz UAMWAIHQUQTTIR-UHFFFAOYSA-N -1 1 419.441 2.696 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)c2)cc1 ZINC000806063828 1079404296 /nfs/dbraw/zinc/40/42/96/1079404296.db2.gz SPDCXTPFAVXJCA-HNAYVOBHSA-N -1 1 416.499 2.880 20 0 HFADMM COC(=O)[C@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@@H]1C ZINC000787512015 1076830756 /nfs/dbraw/zinc/83/07/56/1076830756.db2.gz IYUFSFVHTGTCAH-KOLCDFICSA-N -1 1 404.341 2.527 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCOCC(F)(F)C(F)(F)F)o1 ZINC000787639935 1076892570 /nfs/dbraw/zinc/89/25/70/1076892570.db2.gz HYJZVHAHCDJMCL-UHFFFAOYSA-N -1 1 423.356 2.727 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787833085 1076957021 /nfs/dbraw/zinc/95/70/21/1076957021.db2.gz LCWHORMBMSFVTO-INIZCTEOSA-N -1 1 406.845 2.627 20 0 HFADMM COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000788060165 1077045497 /nfs/dbraw/zinc/04/54/97/1077045497.db2.gz VLPJXLAZXYQULW-VWLOTQADSA-N -1 1 401.481 2.530 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@@H]3CCOC3)c2)cc1F ZINC000788122502 1077059634 /nfs/dbraw/zinc/05/96/34/1077059634.db2.gz NMCLACSVEICBMT-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788146951 1077065097 /nfs/dbraw/zinc/06/50/97/1077065097.db2.gz DQLUDXTWNPHDOS-CYBMUJFWSA-N -1 1 420.495 2.613 20 0 HFADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(OC)OC ZINC000788201730 1077078326 /nfs/dbraw/zinc/07/83/26/1077078326.db2.gz ZSWAEEGIJVIDMO-KRWDZBQOSA-N -1 1 410.467 2.754 20 0 HFADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(OC)OC ZINC000788201732 1077078402 /nfs/dbraw/zinc/07/84/02/1077078402.db2.gz ZSWAEEGIJVIDMO-QGZVFWFLSA-N -1 1 410.467 2.754 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c(C)c1Cl ZINC000788492108 1077179062 /nfs/dbraw/zinc/17/90/62/1077179062.db2.gz SEXSOQRVDNRMIS-UHFFFAOYSA-N -1 1 411.288 2.649 20 0 HFADMM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)Nc1ccc(Cl)nc1C ZINC000788495314 1077181828 /nfs/dbraw/zinc/18/18/28/1077181828.db2.gz HDTUOEPYJGGIBL-UHFFFAOYSA-N -1 1 419.912 2.614 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3OCCCO3)cc2)cc1C ZINC000788610726 1077207515 /nfs/dbraw/zinc/20/75/15/1077207515.db2.gz HOODVRJRVNRIMT-UHFFFAOYSA-N -1 1 404.488 2.597 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@@H]3CCOC3)c2)c1 ZINC000788568366 1077208802 /nfs/dbraw/zinc/20/88/02/1077208802.db2.gz AWLGLJUFXYKRCA-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2=O)cc1 ZINC000790935814 1077240394 /nfs/dbraw/zinc/24/03/94/1077240394.db2.gz KXXYAASELFFACL-CQSZACIVSA-N -1 1 414.314 2.776 20 0 HFADMM Cc1ccc(CN2CC[C@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2=O)cc1 ZINC000790935813 1077240425 /nfs/dbraw/zinc/24/04/25/1077240425.db2.gz KXXYAASELFFACL-AWEZNQCLSA-N -1 1 414.314 2.776 20 0 HFADMM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1C ZINC000788744410 1077287174 /nfs/dbraw/zinc/28/71/74/1077287174.db2.gz PBLNFKZFCPGFHX-UHFFFAOYSA-N -1 1 422.528 2.729 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791156975 1077311693 /nfs/dbraw/zinc/31/16/93/1077311693.db2.gz OPMXLXKJDNLGET-UHFFFAOYSA-N -1 1 423.448 2.699 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3CC[C@@H](SC)C3)c2)n1 ZINC000789043587 1077392669 /nfs/dbraw/zinc/39/26/69/1077392669.db2.gz GHHGAACLTYQGGP-HUUCEWRRSA-N -1 1 403.508 2.732 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCn3cc(C)cn3)c2)cc1 ZINC000791494488 1077460764 /nfs/dbraw/zinc/46/07/64/1077460764.db2.gz QQXKHPDVSQVEPC-UHFFFAOYSA-N -1 1 415.471 2.858 20 0 HFADMM Cc1cnn(CCOC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000791603910 1077501279 /nfs/dbraw/zinc/50/12/79/1077501279.db2.gz MRDPBMJMTFJASP-UHFFFAOYSA-N -1 1 417.462 2.917 20 0 HFADMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000791989653 1077624993 /nfs/dbraw/zinc/62/49/93/1077624993.db2.gz ACYFJHKENQOUKV-GFCCVEGCSA-N -1 1 412.556 2.907 20 0 HFADMM COc1ccc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000746827842 1077668627 /nfs/dbraw/zinc/66/86/27/1077668627.db2.gz YDRRNUATJBVLNY-GFCCVEGCSA-N -1 1 415.512 2.508 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3cnccn3)c2)cc1 ZINC000792202626 1077744105 /nfs/dbraw/zinc/74/41/05/1077744105.db2.gz KRFQRXPOZONFOA-UHFFFAOYSA-N -1 1 411.439 2.626 20 0 HFADMM CN(C)c1ncn(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c2)n1 ZINC000789757849 1077764043 /nfs/dbraw/zinc/76/40/43/1077764043.db2.gz CYBXGQHGUVNTRW-UHFFFAOYSA-N -1 1 412.519 2.517 20 0 HFADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCc2ccc(S(C)(=O)=O)cc2)n1 ZINC000792308949 1077800118 /nfs/dbraw/zinc/80/01/18/1077800118.db2.gz SRXCLPHUBMQSAS-UHFFFAOYSA-N -1 1 400.456 2.901 20 0 HFADMM O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1nc(Br)ccc1[O-] ZINC000789922531 1077848289 /nfs/dbraw/zinc/84/82/89/1077848289.db2.gz GRECAYLUMXFWGT-UHFFFAOYSA-N -1 1 413.659 2.641 20 0 HFADMM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000789922565 1077848392 /nfs/dbraw/zinc/84/83/92/1077848392.db2.gz IRBBLTJWJHKOOX-UHFFFAOYSA-N -1 1 403.229 2.735 20 0 HFADMM O=C(Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1nc(Cl)cs1 ZINC000789906041 1077856821 /nfs/dbraw/zinc/85/68/21/1077856821.db2.gz JMBLSJSLSDQAEU-UHFFFAOYSA-N -1 1 401.882 2.701 20 0 HFADMM C[C@H]1OCC[C@@]12CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])CCO2 ZINC000792539719 1077903597 /nfs/dbraw/zinc/90/35/97/1077903597.db2.gz KYVAZOLZFZDHJJ-PIGZYNQJSA-N -1 1 418.368 2.523 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790041978 1077908935 /nfs/dbraw/zinc/90/89/35/1077908935.db2.gz BKGWSGZHNMMDHA-UHFFFAOYSA-N -1 1 409.240 2.966 20 0 HFADMM CCS(=O)(=O)N1CCC(C(=O)Nc2nc(Cl)ccc2[O-])(c2ccccc2)CC1 ZINC000790046789 1077910500 /nfs/dbraw/zinc/91/05/00/1077910500.db2.gz MPIIIJMASCANRV-UHFFFAOYSA-N -1 1 423.922 2.763 20 0 HFADMM Cc1n[nH]nc1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000790008436 1077910683 /nfs/dbraw/zinc/91/06/83/1077910683.db2.gz COZLGRNAFACHGU-UHFFFAOYSA-N -1 1 407.839 2.525 20 0 HFADMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2s1 ZINC000790071662 1077921748 /nfs/dbraw/zinc/92/17/48/1077921748.db2.gz OFMZMJSEIBZSRT-UHFFFAOYSA-N -1 1 416.477 2.648 20 0 HFADMM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]c3ccc4c(c3F)CCNC4=O)cc21 ZINC000790075568 1077923637 /nfs/dbraw/zinc/92/36/37/1077923637.db2.gz XEAJZETZMFUHLT-UHFFFAOYSA-N -1 1 408.838 2.695 20 0 HFADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(F)F)CCS3)cc1 ZINC000790081742 1077925570 /nfs/dbraw/zinc/92/55/70/1077925570.db2.gz CNTDLQIGWUSIJA-UHFFFAOYSA-N -1 1 413.471 2.764 20 0 HFADMM C[C@@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1=O ZINC000790081635 1077925602 /nfs/dbraw/zinc/92/56/02/1077925602.db2.gz AXMFZVRRIXNAHC-IBGZPJMESA-N -1 1 421.425 2.991 20 0 HFADMM C[C@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1=O ZINC000790082916 1077926815 /nfs/dbraw/zinc/92/68/15/1077926815.db2.gz LTZJJPYSCXICDG-LJQANCHMSA-N -1 1 403.435 2.851 20 0 HFADMM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)Nc3nc(Cl)ccc3[O-])nn2)CC1 ZINC000790047910 1077928910 /nfs/dbraw/zinc/92/89/10/1077928910.db2.gz LTHZJOLYLKLOSH-UHFFFAOYSA-N -1 1 422.873 2.856 20 0 HFADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])N1C(=O)c2ccc(Br)cc2C1=O ZINC000790049364 1077929159 /nfs/dbraw/zinc/92/91/59/1077929159.db2.gz ZKYZPEWCSNDEDC-ZETCQYMHSA-N -1 1 424.638 2.826 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(Cl)ccc3[O-])C2)cc1 ZINC000790055901 1077933764 /nfs/dbraw/zinc/93/37/64/1077933764.db2.gz HXSCEMZRDVCNAA-CYBMUJFWSA-N -1 1 409.895 2.788 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc(Cl)ccc3[O-])C2)cc1 ZINC000790055902 1077934189 /nfs/dbraw/zinc/93/41/89/1077934189.db2.gz HXSCEMZRDVCNAA-ZDUSSCGKSA-N -1 1 409.895 2.788 20 0 HFADMM Cc1nsc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000790058124 1077934951 /nfs/dbraw/zinc/93/49/51/1077934951.db2.gz KXMJUTABTHJXLV-UHFFFAOYSA-N -1 1 406.464 2.716 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(NC(=O)OC)cc3)c2)n1 ZINC000790160286 1077962668 /nfs/dbraw/zinc/96/26/68/1077962668.db2.gz PYLADOASFAUZLV-UHFFFAOYSA-N -1 1 423.429 2.757 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](O)c3ccccc3Cl)c2)n1 ZINC000790160162 1077963033 /nfs/dbraw/zinc/96/30/33/1077963033.db2.gz MQEFXNLLSVWNNN-MRXNPFEDSA-N -1 1 414.849 2.652 20 0 HFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(C(Cl)=Cc3cocn3)nc(=O)c12 ZINC000790216063 1077972451 /nfs/dbraw/zinc/97/24/51/1077972451.db2.gz UHZNODAKJQMGHQ-YCRREMRBSA-N -1 1 409.807 2.624 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c([O-])c1 ZINC000790245218 1077975799 /nfs/dbraw/zinc/97/57/99/1077975799.db2.gz IMSHPMASETZGFU-UHFFFAOYSA-N -1 1 418.450 2.639 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H]3CCN(C(C)C)C3=O)c2)c1 ZINC000746898346 1078007721 /nfs/dbraw/zinc/00/77/21/1078007721.db2.gz NMUXERGXEQVMIB-IBGZPJMESA-N -1 1 416.499 2.962 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)cc1C(=O)[O-] ZINC000790387613 1078012226 /nfs/dbraw/zinc/01/22/26/1078012226.db2.gz BRCILFIBUZPOOH-UHFFFAOYSA-N -1 1 422.850 2.941 20 0 HFADMM C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000790448642 1078034970 /nfs/dbraw/zinc/03/49/70/1078034970.db2.gz ADOMYGMCQOFTPW-SJKOYZFVSA-N -1 1 420.963 2.825 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccccc2Cn2cncn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806222763 1079506380 /nfs/dbraw/zinc/50/63/80/1079506380.db2.gz NEQVAOVQEJBCIH-XEZPLFJOSA-N -1 1 424.427 2.636 20 0 HFADMM CC(C)(C)OC(=O)N(CCCNC(=O)C(=O)c1ccc([O-])cc1)Cc1cccnc1 ZINC000806449980 1079720930 /nfs/dbraw/zinc/72/09/30/1079720930.db2.gz FYPVLUKLAROOQR-UHFFFAOYSA-N -1 1 413.474 2.914 20 0 HFADMM CCN(CC1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1)C(=O)OC(C)(C)C ZINC000806488570 1079739850 /nfs/dbraw/zinc/73/98/50/1079739850.db2.gz OJEOVMRKNNVSCF-UHFFFAOYSA-N -1 1 416.526 2.843 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4cccc(OC(F)F)c4)C3)ccnc1-2 ZINC000806491103 1079741578 /nfs/dbraw/zinc/74/15/78/1079741578.db2.gz UEYOLGILTJEALS-INIZCTEOSA-N -1 1 403.389 2.549 20 0 HFADMM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC000806490569 1079741986 /nfs/dbraw/zinc/74/19/86/1079741986.db2.gz KDVKJGGHXFPKRT-UHFFFAOYSA-N -1 1 401.474 2.983 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)ccnc1-2 ZINC000806492365 1079742430 /nfs/dbraw/zinc/74/24/30/1079742430.db2.gz GRKBQTWZNRITFQ-ZFWWWQNUSA-N -1 1 402.499 2.547 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccnc1-2 ZINC000806482725 1079769433 /nfs/dbraw/zinc/76/94/33/1079769433.db2.gz PMWBLJZFKMGXRQ-QGZVFWFLSA-N -1 1 410.478 2.729 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H](CO)c3ccc(Cl)cc3C(F)(F)F)ccnc1-2 ZINC000806486769 1079772919 /nfs/dbraw/zinc/77/29/19/1079772919.db2.gz GMNBLZQWIVKXKY-CQSZACIVSA-N -1 1 413.787 2.869 20 0 HFADMM COc1cc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1OCC(F)(F)F ZINC000806487830 1079773592 /nfs/dbraw/zinc/77/35/92/1079773592.db2.gz KWFJOQJDHGFPOZ-UHFFFAOYSA-N -1 1 409.368 2.613 20 0 HFADMM COc1cccc(Oc2ncccc2CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806489073 1079774552 /nfs/dbraw/zinc/77/45/52/1079774552.db2.gz MRXLFGZRHKAKTN-UHFFFAOYSA-N -1 1 404.430 2.859 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1F ZINC000806568696 1079828257 /nfs/dbraw/zinc/82/82/57/1079828257.db2.gz XBHYKVBWICARAJ-WMLDXEAASA-N -1 1 406.479 2.774 20 0 HFADMM CSc1nc(C)c(CCC(=O)Nc2cncc(OCC(F)(F)F)n2)c(=O)[n-]1 ZINC001130735277 1079978430 /nfs/dbraw/zinc/97/84/30/1079978430.db2.gz UVPSLXGXSQGGBJ-UHFFFAOYSA-N -1 1 403.386 2.515 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(c1ccccc1)c1ccccc1 ZINC000806841510 1080053948 /nfs/dbraw/zinc/05/39/48/1080053948.db2.gz VICIHKJUTIFOCQ-INIZCTEOSA-N -1 1 413.481 2.617 20 0 HFADMM Cc1c2ccccc2oc1[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(C)C ZINC000806896220 1080103852 /nfs/dbraw/zinc/10/38/52/1080103852.db2.gz DZSHQJYDSSWWGM-SFHVURJKSA-N -1 1 405.458 2.848 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccnc(C(=O)OC(C)(C)C)c2)o1 ZINC001130794593 1080125406 /nfs/dbraw/zinc/12/54/06/1080125406.db2.gz NFTOHQLFJGVIAL-UHFFFAOYSA-N -1 1 423.491 2.959 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H](CCCc4ccccc4)C3)ccnc1-2 ZINC000806947683 1080156622 /nfs/dbraw/zinc/15/66/22/1080156622.db2.gz MBBFVXSEYLRTSD-GOSISDBHSA-N -1 1 405.502 2.542 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C3CC3)ccnc1-2 ZINC000807001640 1080179734 /nfs/dbraw/zinc/17/97/34/1080179734.db2.gz ABCNEWQZOADUSR-UHFFFAOYSA-N -1 1 418.284 2.778 20 0 HFADMM CCN(C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000807019518 1080214891 /nfs/dbraw/zinc/21/48/91/1080214891.db2.gz DLLFZTZIRPTUPJ-LJQANCHMSA-N -1 1 411.481 2.535 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC3(c4c(Cl)cccc4Cl)CCC3)ccnc1-2 ZINC000807065513 1080247411 /nfs/dbraw/zinc/24/74/11/1080247411.db2.gz LOEYJIJHFIMNOY-UHFFFAOYSA-N -1 1 418.284 2.783 20 0 HFADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000747380531 1080387931 /nfs/dbraw/zinc/38/79/31/1080387931.db2.gz OPLCJZIETKNBCK-LBPRGKRZSA-N -1 1 404.540 2.708 20 0 HFADMM C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807493875 1080685229 /nfs/dbraw/zinc/68/52/29/1080685229.db2.gz PSULXJTVPAJKSA-KWBADKCTSA-N -1 1 421.366 2.867 20 0 HFADMM Cc1cc(C(=O)N2CCN(C)C[C@@H]2C(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747401397 1080764953 /nfs/dbraw/zinc/76/49/53/1080764953.db2.gz WKBIWCRMEWCDOC-OAHLLOKOSA-N -1 1 407.458 2.669 20 0 HFADMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4c3COC4=O)cc2)C[C@@H](C)O1 ZINC000747406891 1080800221 /nfs/dbraw/zinc/80/02/21/1080800221.db2.gz BISVPSRHQPICHW-ZIAGYGMSSA-N -1 1 402.472 2.771 20 0 HFADMM O=C([O-])[C@H](NC(=O)NCCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000780391206 939114144 /nfs/dbraw/zinc/11/41/44/939114144.db2.gz AJEMRBAIBSBXCG-HXUWFJFHSA-N -1 1 402.539 2.531 20 0 HFADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000499195133 939231203 /nfs/dbraw/zinc/23/12/03/939231203.db2.gz WGBCOFQNQFFBEV-UHFFFAOYSA-N -1 1 418.471 2.623 20 0 HFADMM COc1ccc(C(C)=O)cc1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372812 939823467 /nfs/dbraw/zinc/82/34/67/939823467.db2.gz VZVHLINZHFOFLM-DEOSSOPVSA-N -1 1 424.497 2.676 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@H]3CC(=O)N(C)C3)cc2)cc1C ZINC000772757089 1078060068 /nfs/dbraw/zinc/06/00/68/1078060068.db2.gz FWSBKFRCLDHZCH-INIZCTEOSA-N -1 1 416.499 2.739 20 0 HFADMM CCCOc1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c(OCc2ccccc2)c1 ZINC000790603434 1078065184 /nfs/dbraw/zinc/06/51/84/1078065184.db2.gz HEBHWNHZNDGVCW-HXUWFJFHSA-N -1 1 423.473 2.781 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000746933885 1078076231 /nfs/dbraw/zinc/07/62/31/1078076231.db2.gz GIRKOMJTKXQIDF-LBPRGKRZSA-N -1 1 417.853 2.603 20 0 HFADMM CCC(C)(C)NC(=O)[C@H](OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(C)C ZINC000746935061 1078078779 /nfs/dbraw/zinc/07/87/79/1078078779.db2.gz JEIAPOIDFDRNAS-LJQANCHMSA-N -1 1 404.511 2.857 20 0 HFADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746934995 1078080472 /nfs/dbraw/zinc/08/04/72/1078080472.db2.gz IKPWNVKBFANFAV-HZPDHXFCSA-N -1 1 402.495 2.707 20 0 HFADMM CCN(C(=O)[C@@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000746937213 1078083941 /nfs/dbraw/zinc/08/39/41/1078083941.db2.gz VFRLNAWKCWKNJK-MRXNPFEDSA-N -1 1 410.474 2.969 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC[C@@H]3CC(=O)N(C)C3)ccc2C)cc1 ZINC000772761530 1078110534 /nfs/dbraw/zinc/11/05/34/1078110534.db2.gz QFELLKJFKMCMHX-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c(Br)c1 ZINC000793283315 1078118045 /nfs/dbraw/zinc/11/80/45/1078118045.db2.gz ZFIIZDCEZBCCJQ-UHFFFAOYSA-N -1 1 408.277 2.665 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc1Cl ZINC000793304212 1078123310 /nfs/dbraw/zinc/12/33/10/1078123310.db2.gz NFQIHFVYKNHLEF-UHFFFAOYSA-N -1 1 400.243 2.768 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c(C)cc1F ZINC000793359715 1078147185 /nfs/dbraw/zinc/14/71/85/1078147185.db2.gz WPHNVFBXQKWBFR-UHFFFAOYSA-N -1 1 404.423 2.517 20 0 HFADMM Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)n[nH]2)cc1C ZINC000790887637 1078171322 /nfs/dbraw/zinc/17/13/22/1078171322.db2.gz BEPMRQCPDWABMT-JOCHJYFZSA-N -1 1 403.442 2.806 20 0 HFADMM CC(C)NC(=O)Nc1ccccc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467041 1078181635 /nfs/dbraw/zinc/18/16/35/1078181635.db2.gz HWCQLPDHKVJJNX-CYBMUJFWSA-N -1 1 414.428 2.747 20 0 HFADMM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000793763305 1078281055 /nfs/dbraw/zinc/28/10/55/1078281055.db2.gz AHCAOCHFTMJYCY-UHFFFAOYSA-N -1 1 421.475 2.947 20 0 HFADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000793812646 1078315451 /nfs/dbraw/zinc/31/54/51/1078315451.db2.gz CYWLXIJIVPUJAL-ZDUSSCGKSA-N -1 1 400.483 2.763 20 0 HFADMM CCOC(=O)[C@H](C)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000747162839 1078353288 /nfs/dbraw/zinc/35/32/88/1078353288.db2.gz IMMMQIBKRKUNSC-CQSZACIVSA-N -1 1 421.471 2.852 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@]3(C)CCOC3=O)c2)c1 ZINC000794097824 1078371829 /nfs/dbraw/zinc/37/18/29/1078371829.db2.gz IDEJAKBQVRJQLK-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM Cc1ccc(C(=O)N[C@]2(C)CCOC2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000794086666 1078378303 /nfs/dbraw/zinc/37/83/03/1078378303.db2.gz UMIMGKPPWJONCS-LJQANCHMSA-N -1 1 422.890 2.885 20 0 HFADMM CS(=O)(=O)c1cc(Br)cc(C(=O)[N-]c2c(F)ccnc2F)c1F ZINC001129484432 1078504377 /nfs/dbraw/zinc/50/43/77/1078504377.db2.gz XQYBZZFNBMEPLD-UHFFFAOYSA-N -1 1 409.183 2.917 20 0 HFADMM COc1cc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000804635522 1078716267 /nfs/dbraw/zinc/71/62/67/1078716267.db2.gz MKBLWGQLNJDXCT-KGLIPLIRSA-N -1 1 412.870 2.564 20 0 HFADMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000804638936 1078726183 /nfs/dbraw/zinc/72/61/83/1078726183.db2.gz SNRCIKADPXKFMP-KGLIPLIRSA-N -1 1 416.396 2.921 20 0 HFADMM COCc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000804908939 1078732084 /nfs/dbraw/zinc/73/20/84/1078732084.db2.gz LTSAEXKPSDKJAS-XEZPLFJOSA-N -1 1 401.429 2.820 20 0 HFADMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000804989673 1078793199 /nfs/dbraw/zinc/79/31/99/1078793199.db2.gz ZMOWZORCNUUJRE-UHFFFAOYSA-N -1 1 424.516 2.915 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)c(Br)n1C ZINC000805018011 1078828317 /nfs/dbraw/zinc/82/83/17/1078828317.db2.gz VZAOURHODSWRNU-SECBINFHSA-N -1 1 422.732 2.890 20 0 HFADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCC2 ZINC000805020587 1078831716 /nfs/dbraw/zinc/83/17/16/1078831716.db2.gz OYMCFHJKGHKQEY-RYUDHWBXSA-N -1 1 406.346 2.507 20 0 HFADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCCC2 ZINC000805027713 1078839789 /nfs/dbraw/zinc/83/97/89/1078839789.db2.gz PUDKMDNKWNUNLR-STQMWFEESA-N -1 1 420.373 2.897 20 0 HFADMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805061041 1078872988 /nfs/dbraw/zinc/87/29/88/1078872988.db2.gz DOHABXDOCLBRCZ-NSHDSACASA-N -1 1 424.361 2.527 20 0 HFADMM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805075597 1078907396 /nfs/dbraw/zinc/90/73/96/1078907396.db2.gz YQNLDKKWOBPJLC-UHFFFAOYSA-N -1 1 416.341 2.799 20 0 HFADMM Cc1ccn2cnc(C(=O)N3c4ccccc4C[C@H]3C[N-]C(=O)C(F)(F)F)c2c1 ZINC001130087211 1078923485 /nfs/dbraw/zinc/92/34/85/1078923485.db2.gz NZBNWDAZIBIVSF-AWEZNQCLSA-N -1 1 402.376 2.893 20 0 HFADMM C[C@H]1CCN(C(=O)NCCc2ccc(Cl)nc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805203187 1078953480 /nfs/dbraw/zinc/95/34/80/1078953480.db2.gz ZYDDTLFHSCHYEP-MJVIPROJSA-N -1 1 406.836 2.765 20 0 HFADMM C[C@H]1CCN(C(=O)NCCSCC(F)(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805250287 1078985431 /nfs/dbraw/zinc/98/54/31/1078985431.db2.gz ARHKWWFRHUISBK-GUBZILKMSA-N -1 1 409.396 2.769 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCCC23CCOCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805452608 1079080009 /nfs/dbraw/zinc/08/00/09/1079080009.db2.gz IAYZEUHWZGVAND-AJNGGQMLSA-N -1 1 405.461 2.823 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1 ZINC000805541943 1079131676 /nfs/dbraw/zinc/13/16/76/1079131676.db2.gz ADQITTSOPZKXHQ-AWEZNQCLSA-N -1 1 400.460 2.842 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2C)c(Cl)cc1Cl ZINC000747248313 1079143594 /nfs/dbraw/zinc/14/35/94/1079143594.db2.gz NARHWHIJWTVVOZ-UHFFFAOYSA-N -1 1 406.291 2.654 20 0 HFADMM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1cn[n-]n1 ZINC000805605714 1079153423 /nfs/dbraw/zinc/15/34/23/1079153423.db2.gz NCGRXWPPRKDKFA-LLVKDONJSA-N -1 1 414.443 2.894 20 0 HFADMM O=C([N-]CCCOC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(F)(F)F ZINC000805633201 1079187161 /nfs/dbraw/zinc/18/71/61/1079187161.db2.gz DURSIYBKZBOXMQ-UHFFFAOYSA-N -1 1 411.258 2.981 20 0 HFADMM C[C@H]1CCN(CC(=O)NCc2ccc(Cl)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785728 1079252282 /nfs/dbraw/zinc/25/22/82/1079252282.db2.gz MHEVFRDLZOHVAP-MKBNYLNASA-N -1 1 405.848 2.734 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N1CCCC1 ZINC000805829393 1079299052 /nfs/dbraw/zinc/29/90/52/1079299052.db2.gz DWCHZMOSATVVGV-YJBOKZPZSA-N -1 1 413.440 2.502 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCN1CCCC1=O ZINC000805829868 1079300342 /nfs/dbraw/zinc/30/03/42/1079300342.db2.gz PUMYIZJIBQFISM-YJBOKZPZSA-N -1 1 413.440 2.502 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccnn3C)c2)cc1 ZINC000747277468 1079339233 /nfs/dbraw/zinc/33/92/33/1079339233.db2.gz TURSRMMRKMINAJ-UHFFFAOYSA-N -1 1 415.471 2.977 20 0 HFADMM O=C(NCC(F)(F)Br)c1ccc(I)c([O-])c1 ZINC000805244712 1079385011 /nfs/dbraw/zinc/38/50/11/1079385011.db2.gz PLZLYHPZARWTLN-UHFFFAOYSA-N -1 1 405.964 2.714 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000806016619 1079390402 /nfs/dbraw/zinc/39/04/02/1079390402.db2.gz YEVKPGSQNRKJMZ-HOTGVXAUSA-N -1 1 401.463 2.613 20 0 HFADMM CC(=O)Nc1ccc(CC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000806016204 1079390687 /nfs/dbraw/zinc/39/06/87/1079390687.db2.gz PWRVDDSBGYLNDM-UHFFFAOYSA-N -1 1 406.442 2.839 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000806017109 1079392111 /nfs/dbraw/zinc/39/21/11/1079392111.db2.gz UTJCXVXUVQJONT-AWEZNQCLSA-N -1 1 424.423 2.913 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000806017166 1079392178 /nfs/dbraw/zinc/39/21/78/1079392178.db2.gz ANVZFNZHCMSRSR-INIZCTEOSA-N -1 1 422.441 2.515 20 0 HFADMM CC(=O)N1CCc2cc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)ccc21 ZINC000806019667 1079393363 /nfs/dbraw/zinc/39/33/63/1079393363.db2.gz MEGKILSCSHSZRJ-UHFFFAOYSA-N -1 1 418.453 2.861 20 0 HFADMM CC(=O)NCc1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000806019115 1079393774 /nfs/dbraw/zinc/39/37/74/1079393774.db2.gz PGGSBJFXFPVQLZ-UHFFFAOYSA-N -1 1 406.442 2.588 20 0 HFADMM C[C@@H]1[C@@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC(=O)N1C ZINC000806069583 1079414126 /nfs/dbraw/zinc/41/41/26/1079414126.db2.gz ZRORSMJHEXYKRW-DIFFPNOSSA-N -1 1 424.425 2.542 20 0 HFADMM O=C([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1[nH]nc2c1CCCCC2 ZINC000806108292 1079439158 /nfs/dbraw/zinc/43/91/58/1079439158.db2.gz VJXDWFJIMAGIPQ-UHFFFAOYSA-N -1 1 421.372 2.835 20 0 HFADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCCC2(C1)OCCO2 ZINC000772701200 1076807103 /nfs/dbraw/zinc/80/71/03/1076807103.db2.gz DPXKITDODQDDHR-UHFFFAOYSA-N -1 1 420.462 2.606 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nnnn3C)ccc2C)c1 ZINC000787618638 1076880896 /nfs/dbraw/zinc/88/08/96/1076880896.db2.gz HMXSSWHCPPSDPI-AWEZNQCLSA-N -1 1 415.475 2.546 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)c3nnnn3C)cc2)cc1C ZINC000787601254 1076887803 /nfs/dbraw/zinc/88/78/03/1076887803.db2.gz QSVTYESVXYCUKU-AWEZNQCLSA-N -1 1 415.475 2.546 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)o1 ZINC000787838504 1076959029 /nfs/dbraw/zinc/95/90/29/1076959029.db2.gz WTGNRSUBHQSBET-ZDUSSCGKSA-N -1 1 418.874 2.612 20 0 HFADMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000787921760 1076998202 /nfs/dbraw/zinc/99/82/02/1076998202.db2.gz BZXXMMZXHRKZPL-NRFANRHFSA-N -1 1 400.438 2.815 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3OCCCO3)cc2)cc1C ZINC000787960704 1077009560 /nfs/dbraw/zinc/00/95/60/1077009560.db2.gz SIDZOBJYIUIZDO-UHFFFAOYSA-N -1 1 404.488 2.597 20 0 HFADMM CN(C)C(=O)CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000787971376 1077012563 /nfs/dbraw/zinc/01/25/63/1077012563.db2.gz POKNLCPCASKWEV-UHFFFAOYSA-N -1 1 408.451 2.652 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NOC[C@@H]2CCOC2)c1 ZINC000788120283 1077059340 /nfs/dbraw/zinc/05/93/40/1077059340.db2.gz WFWYMQOVJATOLM-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM O=C(NOC[C@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000788115746 1077066475 /nfs/dbraw/zinc/06/64/75/1077066475.db2.gz JYFKCZCIQKUONQ-ZDUSSCGKSA-N -1 1 410.879 2.839 20 0 HFADMM CC1CN(C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)C1 ZINC000788203389 1077078702 /nfs/dbraw/zinc/07/87/02/1077078702.db2.gz OZSCPALDLWITFX-QGZVFWFLSA-N -1 1 414.531 2.591 20 0 HFADMM C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001626111877 1077097196 /nfs/dbraw/zinc/09/71/96/1077097196.db2.gz PIHLHSSQVYWVHK-LBPRGKRZSA-N -1 1 416.421 2.898 20 0 HFADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000788490445 1077179047 /nfs/dbraw/zinc/17/90/47/1077179047.db2.gz DMFJHCFMAGCKNM-INIZCTEOSA-N -1 1 408.451 2.798 20 0 HFADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 ZINC000788506043 1077185266 /nfs/dbraw/zinc/18/52/66/1077185266.db2.gz ZOUVOBSMLZWUCV-UHFFFAOYSA-N -1 1 401.444 2.525 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@@H]1c1ccccc1OC ZINC000788572565 1077210180 /nfs/dbraw/zinc/21/01/80/1077210180.db2.gz VKWUIPZRRLGFMT-MDKPJZGXSA-N -1 1 404.507 2.859 20 0 HFADMM Cc1ccc(C(=O)NOC[C@H]2CCOC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000788572790 1077210225 /nfs/dbraw/zinc/21/02/25/1077210225.db2.gz VSDBJPXEDFGOOR-AWEZNQCLSA-N -1 1 408.451 2.633 20 0 HFADMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(=O)NC1CC1 ZINC000788647663 1077224368 /nfs/dbraw/zinc/22/43/68/1077224368.db2.gz OSRFBRQPCBWIRR-GFCCVEGCSA-N -1 1 422.890 2.965 20 0 HFADMM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC1(c2nnc[nH]2)CCC1 ZINC000788620410 1077230834 /nfs/dbraw/zinc/23/08/34/1077230834.db2.gz DPVHYIMXGUTJEN-UHFFFAOYSA-N -1 1 412.519 2.559 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC[C@H]2CC(=O)N(C)C2)c1 ZINC000772763688 1077259390 /nfs/dbraw/zinc/25/93/90/1077259390.db2.gz XACOESWAGLYLTO-INIZCTEOSA-N -1 1 416.499 2.739 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)c1 ZINC000788746336 1077288081 /nfs/dbraw/zinc/28/80/81/1077288081.db2.gz BGNXJBDHBSFXNN-UHFFFAOYSA-N -1 1 418.471 2.925 20 0 HFADMM O=S(=O)([N-]c1cc(N2CCCS2(=O)=O)ccc1F)C1=Cc2ccccc2OC1 ZINC000788746227 1077288289 /nfs/dbraw/zinc/28/82/89/1077288289.db2.gz OGBKKUVDGWPJHI-UHFFFAOYSA-N -1 1 424.475 2.541 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccnc1-2 ZINC000791161851 1077312902 /nfs/dbraw/zinc/31/29/02/1077312902.db2.gz PBASSGGMXHSGSE-MRXNPFEDSA-N -1 1 418.284 2.892 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)[n-]1 ZINC000791166886 1077323004 /nfs/dbraw/zinc/32/30/04/1077323004.db2.gz CGQGSLJZQHSNPQ-AWEZNQCLSA-N -1 1 410.421 2.985 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)n[n-]1 ZINC000791166886 1077323007 /nfs/dbraw/zinc/32/30/07/1077323007.db2.gz CGQGSLJZQHSNPQ-AWEZNQCLSA-N -1 1 410.421 2.985 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)n1 ZINC000791166886 1077323011 /nfs/dbraw/zinc/32/30/11/1077323011.db2.gz CGQGSLJZQHSNPQ-AWEZNQCLSA-N -1 1 410.421 2.985 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)ccnc1-2 ZINC000791166658 1077323586 /nfs/dbraw/zinc/32/35/86/1077323586.db2.gz YEBLYZASGZVFFT-UHFFFAOYSA-N -1 1 404.327 2.938 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]CC[C@@](O)(c2nccn2C)C(F)(F)F)sc1Cl ZINC000788896277 1077343206 /nfs/dbraw/zinc/34/32/06/1077343206.db2.gz MXQKGFLKFPJPHL-GFCCVEGCSA-N -1 1 417.862 2.562 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccc([C@@H](C)O)cc3)c2)n1 ZINC000788936351 1077369549 /nfs/dbraw/zinc/36/95/49/1077369549.db2.gz AQDUNFRASMWXKQ-CQSZACIVSA-N -1 1 423.473 2.701 20 0 HFADMM CCCCOc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)c(O)c1 ZINC000789246960 1077470495 /nfs/dbraw/zinc/47/04/95/1077470495.db2.gz CEDMSGJKGWSZMV-UHFFFAOYSA-N -1 1 401.415 2.693 20 0 HFADMM O=C(COC(=O)[C@@H]1CCCc2c(O)cccc21)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000789256723 1077476579 /nfs/dbraw/zinc/47/65/79/1077476579.db2.gz XURSMKKQKDEYDU-MRXNPFEDSA-N -1 1 419.380 2.913 20 0 HFADMM CCc1cc2c(COC(=O)CN3CCc4ccccc4C3=O)cc(=O)oc2cc1[O-] ZINC000789266288 1077489804 /nfs/dbraw/zinc/48/98/04/1077489804.db2.gz KDVNJAYXNUCXAU-UHFFFAOYSA-N -1 1 407.422 2.803 20 0 HFADMM CC[C@@H](C)n1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1C ZINC000791680197 1077526148 /nfs/dbraw/zinc/52/61/48/1077526148.db2.gz XKLZXHFOUAYDCT-LLVKDONJSA-N -1 1 409.389 2.877 20 0 HFADMM O=C(CCN1C(=O)CCC1=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000791749041 1077551421 /nfs/dbraw/zinc/55/14/21/1077551421.db2.gz UNOFPGSFGIFIEO-UHFFFAOYSA-N -1 1 411.439 2.646 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)c2ccc(Br)cc2)co1 ZINC000791985984 1077623894 /nfs/dbraw/zinc/62/38/94/1077623894.db2.gz OERAGDDONXOZNH-JTQLQIEISA-N -1 1 402.266 2.911 20 0 HFADMM COc1ccc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000746827845 1077668456 /nfs/dbraw/zinc/66/84/56/1077668456.db2.gz YDRRNUATJBVLNY-LBPRGKRZSA-N -1 1 415.512 2.508 20 0 HFADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccn(CC(F)F)n1 ZINC000789923845 1077849537 /nfs/dbraw/zinc/84/95/37/1077849537.db2.gz AZEWPLBMKBAMPA-UHFFFAOYSA-N -1 1 420.441 2.879 20 0 HFADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000792536556 1077891947 /nfs/dbraw/zinc/89/19/47/1077891947.db2.gz YYJGZDQFISZUFM-VBQJREDUSA-N -1 1 414.531 2.732 20 0 HFADMM COc1cccc(-c2cc(C(F)(F)F)c(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)nn2)c1 ZINC001170215802 1077909253 /nfs/dbraw/zinc/90/92/53/1077909253.db2.gz ACCDAFILMHIMQV-UHFFFAOYSA-N -1 1 419.323 2.944 20 0 HFADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790046828 1077910471 /nfs/dbraw/zinc/91/04/71/1077910471.db2.gz OLDXEFOPLIINEX-UHFFFAOYSA-N -1 1 405.657 2.859 20 0 HFADMM Cc1cc2c(nccc2Nc2[n-]c(=O)nc3nc[nH]c32)n1S(=O)(=O)c1ccccc1 ZINC001170231556 1077913635 /nfs/dbraw/zinc/91/36/35/1077913635.db2.gz DDVABXCOXQTSHS-UHFFFAOYSA-N -1 1 421.442 2.697 20 0 HFADMM CN(c1cc(F)ccc1Nc1[n-]c(=O)nc2nc[nH]c21)S(=O)(=O)c1ccccc1 ZINC001170226984 1077917361 /nfs/dbraw/zinc/91/73/61/1077917361.db2.gz FXSWZMCMMDHHQU-UHFFFAOYSA-N -1 1 414.422 2.766 20 0 HFADMM COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)c1F ZINC000790068246 1077920590 /nfs/dbraw/zinc/92/05/90/1077920590.db2.gz ODHPHTKOJBSETP-UHFFFAOYSA-N -1 1 416.858 2.999 20 0 HFADMM COc1cc2c(cc1OC)CN(C(=O)CCC(=O)Nc1nc(Cl)ccc1[O-])CC2 ZINC000790056022 1077934092 /nfs/dbraw/zinc/93/40/92/1077934092.db2.gz JAAMZLOQSLPVKQ-UHFFFAOYSA-N -1 1 419.865 2.761 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(Cl)nc4ccccn43)c2)n1 ZINC000790157778 1077961184 /nfs/dbraw/zinc/96/11/84/1077961184.db2.gz LELADMHLFHTXEI-UHFFFAOYSA-N -1 1 424.848 2.880 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(C)noc3C(F)(F)F)c2)n1 ZINC000790160635 1077962541 /nfs/dbraw/zinc/96/25/41/1077962541.db2.gz USXGIYPYUHSHPK-UHFFFAOYSA-N -1 1 423.351 2.894 20 0 HFADMM COC(=O)[C@](C)([N-]S(=O)(=O)CCC(F)(F)F)c1cccc(Br)c1 ZINC000790185278 1077966350 /nfs/dbraw/zinc/96/63/50/1077966350.db2.gz QFVSCKZPLJYMSC-GFCCVEGCSA-N -1 1 418.231 2.709 20 0 HFADMM O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1c([O-])cccc1Cl ZINC000790225422 1077980280 /nfs/dbraw/zinc/98/02/80/1077980280.db2.gz PMSUAVGVMBAZJI-HNNXBMFYSA-N -1 1 420.868 2.632 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000792831925 1078007845 /nfs/dbraw/zinc/00/78/45/1078007845.db2.gz NHRCJJXXXIHSRH-OAHLLOKOSA-N -1 1 419.485 2.547 20 0 HFADMM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](O)c1ccccc1 ZINC000790381980 1078009500 /nfs/dbraw/zinc/00/95/00/1078009500.db2.gz CFKQNFGNUNQFTO-MSOLQXFVSA-N -1 1 408.520 2.844 20 0 HFADMM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](O)c1ccccc1 ZINC000790381984 1078009555 /nfs/dbraw/zinc/00/95/55/1078009555.db2.gz CFKQNFGNUNQFTO-ZWKOTPCHSA-N -1 1 408.520 2.844 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000790383319 1078010518 /nfs/dbraw/zinc/01/05/18/1078010518.db2.gz IOMNLQGGVOEJTR-UHFFFAOYSA-N -1 1 424.862 2.740 20 0 HFADMM CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1C ZINC000790394333 1078014800 /nfs/dbraw/zinc/01/48/00/1078014800.db2.gz QGYXSDNUOJRSHC-UHFFFAOYSA-N -1 1 412.851 2.516 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CCN3C(C)=O)cc1C(=O)[O-] ZINC000790402996 1078026522 /nfs/dbraw/zinc/02/65/22/1078026522.db2.gz GRNDLMKTHGAOIW-UHFFFAOYSA-N -1 1 424.862 2.757 20 0 HFADMM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000806449118 1079719372 /nfs/dbraw/zinc/71/93/72/1079719372.db2.gz QYMOYMTUZJHVIJ-OAHLLOKOSA-N -1 1 402.451 2.747 20 0 HFADMM CN1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806490309 1079739785 /nfs/dbraw/zinc/73/97/85/1079739785.db2.gz FKDVYNGZJUWCDG-IAGOWNOFSA-N -1 1 402.861 2.701 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)ccnc1-2 ZINC000806489573 1079740936 /nfs/dbraw/zinc/74/09/36/1079740936.db2.gz WYQWOPPYIBWEIL-AWEZNQCLSA-N -1 1 421.436 2.942 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](CNC(=O)OCc4ccccc4)C3)ccnc1-2 ZINC000806493543 1079745628 /nfs/dbraw/zinc/74/56/28/1079745628.db2.gz XUGIDHDJXIWVLR-QGZVFWFLSA-N -1 1 422.489 2.512 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4ccccc4C(F)(F)F)C3)ccnc1-2 ZINC000806495303 1079746428 /nfs/dbraw/zinc/74/64/28/1079746428.db2.gz OUADMEVUZONPOK-INIZCTEOSA-N -1 1 405.380 2.966 20 0 HFADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)N=c1ccnc3n(C)[n-]cc1-3)O[C@@H](C)C2 ZINC000806481114 1079766943 /nfs/dbraw/zinc/76/69/43/1079766943.db2.gz IQJUODXHQBQOCO-XAYKYTGQSA-N -1 1 407.474 2.742 20 0 HFADMM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483234 1079768425 /nfs/dbraw/zinc/76/84/25/1079768425.db2.gz AZJVDBXCCNRAII-AWEZNQCLSA-N -1 1 402.499 2.595 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H](O)c3cccc(OCc4ccccc4)c3)ccnc1-2 ZINC000806485962 1079771883 /nfs/dbraw/zinc/77/18/83/1079771883.db2.gz GLAKNZINIFKLOK-OAQYLSRUSA-N -1 1 417.469 2.776 20 0 HFADMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806487781 1079773395 /nfs/dbraw/zinc/77/33/95/1079773395.db2.gz KDLIQNDLGTZASR-UHFFFAOYSA-N -1 1 407.261 2.751 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC001130662648 1079775585 /nfs/dbraw/zinc/77/55/85/1079775585.db2.gz FRZIYVAHMOIYKE-UHFFFAOYSA-N -1 1 424.545 2.968 20 0 HFADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806512332 1079787994 /nfs/dbraw/zinc/78/79/94/1079787994.db2.gz VXQYAIQBVVGXTD-QCQGSNGOSA-N -1 1 401.429 2.810 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccoc1 ZINC001130701799 1079902156 /nfs/dbraw/zinc/90/21/56/1079902156.db2.gz XMOZVFDEHPRUDX-DZGCQCFKSA-N -1 1 418.412 2.592 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001130701791 1079902227 /nfs/dbraw/zinc/90/22/27/1079902227.db2.gz XIJFGOBGKFLMJH-RZLSGREXSA-N -1 1 418.456 2.802 20 0 HFADMM COc1ccc([C@H](CNC(=O)CSc2n[nH]c(=S)s2)[NH+]2CCCC2)cc1 ZINC000747348067 1079970175 /nfs/dbraw/zinc/97/01/75/1079970175.db2.gz JSLKVXQGRXZQNV-AWEZNQCLSA-N -1 1 410.590 2.881 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(CCc3ccccc3)Cc3ccccc3)ccnc1-2 ZINC000806845082 1080030874 /nfs/dbraw/zinc/03/08/74/1080030874.db2.gz SNHFHSZFLYZJQB-UHFFFAOYSA-N -1 1 413.481 2.552 20 0 HFADMM COc1cc(C(=O)N2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)ccc1C ZINC000747359407 1080032739 /nfs/dbraw/zinc/03/27/39/1080032739.db2.gz GTEPYAHQXKQFEN-UHFFFAOYSA-N -1 1 412.490 2.529 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(c4ccc(Cl)cc4)CCCC3)ccnc1-2 ZINC000806861356 1080063894 /nfs/dbraw/zinc/06/38/94/1080063894.db2.gz DPDQONYBSCZLRV-UHFFFAOYSA-N -1 1 411.893 2.562 20 0 HFADMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806863553 1080064815 /nfs/dbraw/zinc/06/48/15/1080064815.db2.gz YTNKHMHKKXBOCY-LBPRGKRZSA-N -1 1 420.498 2.590 20 0 HFADMM C[C@H](CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1c(Cl)cccc1Cl ZINC000806882795 1080080233 /nfs/dbraw/zinc/08/02/33/1080080233.db2.gz MYNUAUJWEMGRBI-SNVBAGLBSA-N -1 1 406.273 2.507 20 0 HFADMM COc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1N1CCOC1=O ZINC000806966905 1080135050 /nfs/dbraw/zinc/13/50/50/1080135050.db2.gz ATRJUQVYTVONGU-UHFFFAOYSA-N -1 1 406.398 2.858 20 0 HFADMM CC(C)[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1F ZINC000806966554 1080135154 /nfs/dbraw/zinc/13/51/54/1080135154.db2.gz KHOSNDOKHXDFQX-INIZCTEOSA-N -1 1 403.845 2.586 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Oc1ccc(OC2CCC2)cc1 ZINC001130838977 1080263916 /nfs/dbraw/zinc/26/39/16/1080263916.db2.gz RUGYLDZZDVUMBJ-UHFFFAOYSA-N -1 1 413.474 2.797 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000747374410 1080350941 /nfs/dbraw/zinc/35/09/41/1080350941.db2.gz FFOHJXLKYZABAC-OAHLLOKOSA-N -1 1 411.506 2.971 20 0 HFADMM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000807269576 1080423220 /nfs/dbraw/zinc/42/32/20/1080423220.db2.gz IUQQWTKVHVYCCR-UHFFFAOYSA-N -1 1 406.508 2.941 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000747405211 1080786059 /nfs/dbraw/zinc/78/60/59/1080786059.db2.gz LNGZZDZNLSQVOY-UHFFFAOYSA-N -1 1 406.490 2.647 20 0 HFADMM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505051 939129413 /nfs/dbraw/zinc/12/94/13/939129413.db2.gz BZVLQXAGUPGZEZ-OAHLLOKOSA-N -1 1 406.502 2.725 20 0 HFADMM C[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505470 939130065 /nfs/dbraw/zinc/13/00/65/939130065.db2.gz NPAZFIBHCYZMAX-YWZLYKJASA-N -1 1 420.529 2.971 20 0 HFADMM O=C([O-])[C@]1(NC(=O)c2scnc2Br)CCCN(Cc2ccccc2)C1 ZINC001123372440 939822887 /nfs/dbraw/zinc/82/28/87/939822887.db2.gz UCDZZUKBNSPADL-KRWDZBQOSA-N -1 1 424.320 2.755 20 0 HFADMM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2nc3ccccc3c(=O)[n-]2)cn1 ZINC000790595639 1078063523 /nfs/dbraw/zinc/06/35/23/1078063523.db2.gz XTUJOHCWMPTBMD-FQEVSTJZSA-N -1 1 417.469 2.516 20 0 HFADMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000746935545 1078077312 /nfs/dbraw/zinc/07/73/12/1078077312.db2.gz PXXMMZNVCDXTGA-HNNXBMFYSA-N -1 1 424.457 2.757 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc(Br)c1C ZINC000793159663 1078084933 /nfs/dbraw/zinc/08/49/33/1078084933.db2.gz XEJJSSZXDLZVKZ-UHFFFAOYSA-N -1 1 408.277 2.832 20 0 HFADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c(N(C)C)c1 ZINC000793428385 1078169652 /nfs/dbraw/zinc/16/96/52/1078169652.db2.gz MATJFRKXQKHILJ-UHFFFAOYSA-N -1 1 424.450 2.574 20 0 HFADMM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(=O)OC)c(F)cc3C)ccc2[nH]1 ZINC000793430062 1078169944 /nfs/dbraw/zinc/16/99/44/1078169944.db2.gz ITTYGDSQTUOUFL-UHFFFAOYSA-N -1 1 419.434 2.562 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)OCc1ncc(C(C)(C)C)s1 ZINC000790886884 1078171727 /nfs/dbraw/zinc/17/17/27/1078171727.db2.gz TYNSJKARCCOKCX-UHFFFAOYSA-N -1 1 420.535 2.757 20 0 HFADMM O=C([N-]C[C@H]1CCCN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000793467607 1078182278 /nfs/dbraw/zinc/18/22/78/1078182278.db2.gz JINAQRMZWXRRPN-ZWNOBZJWSA-N -1 1 412.330 2.656 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)c(C)cc1F ZINC000793426251 1078179198 /nfs/dbraw/zinc/17/91/98/1078179198.db2.gz CIKIMILQBZUBKV-UHFFFAOYSA-N -1 1 424.450 2.608 20 0 HFADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)c1nn[n-]n1 ZINC000793812643 1078315280 /nfs/dbraw/zinc/31/52/80/1078315280.db2.gz CYWLXIJIVPUJAL-CYBMUJFWSA-N -1 1 400.483 2.763 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794106298 1078372845 /nfs/dbraw/zinc/37/28/45/1078372845.db2.gz JCZANGRFBHQVPR-UHFFFAOYSA-N -1 1 407.423 2.796 20 0 HFADMM O=C([N-]OC/C=C\Cl)c1c[nH]c2ccc(I)cc2c1=O ZINC000794294893 1078402861 /nfs/dbraw/zinc/40/28/61/1078402861.db2.gz YCQFVRVGWHUCPG-RJRFIUFISA-N -1 1 404.591 2.547 20 0 HFADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000804404061 1078467744 /nfs/dbraw/zinc/46/77/44/1078467744.db2.gz FJPSYJOWLWUGRG-HZPDHXFCSA-N -1 1 419.488 2.625 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000747207235 1078525022 /nfs/dbraw/zinc/52/50/22/1078525022.db2.gz IFZYRWVHKFIOSL-UHFFFAOYSA-N -1 1 421.501 2.622 20 0 HFADMM O=C(CCCOC1CCOCC1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001129895322 1078589832 /nfs/dbraw/zinc/58/98/32/1078589832.db2.gz CYXCDWSXIVLJGT-OAHLLOKOSA-N -1 1 414.424 2.599 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(c2ccccc2)=NO1)C(F)(F)F ZINC001129895342 1078589962 /nfs/dbraw/zinc/58/99/62/1078589962.db2.gz DHSRVGDDVXPTIQ-CRAIPNDOSA-N -1 1 417.387 2.816 20 0 HFADMM CO[C@@H](Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001129896815 1078591171 /nfs/dbraw/zinc/59/11/71/1078591171.db2.gz VGEZVQTZWJOGCA-AEFFLSMTSA-N -1 1 406.404 2.881 20 0 HFADMM COc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1OC ZINC000804857906 1078684024 /nfs/dbraw/zinc/68/40/24/1078684024.db2.gz VVNVDMKRWQARLA-MKBNYLNASA-N -1 1 417.428 2.691 20 0 HFADMM O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129758115 1078702095 /nfs/dbraw/zinc/70/20/95/1078702095.db2.gz QKEPQEDRQYIEEP-UHFFFAOYSA-N -1 1 408.414 2.924 20 0 HFADMM COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000804883410 1078710306 /nfs/dbraw/zinc/71/03/06/1078710306.db2.gz FQGPRNYPIMSJGZ-CQSZACIVSA-N -1 1 412.870 2.670 20 0 HFADMM COc1ccc(C)cc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804896489 1078752704 /nfs/dbraw/zinc/75/27/04/1078752704.db2.gz QAYVZEOILMCACS-XEZPLFJOSA-N -1 1 401.429 2.991 20 0 HFADMM COc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000804936016 1078762670 /nfs/dbraw/zinc/76/26/70/1078762670.db2.gz FEIJWBZGRQQGQP-MKBNYLNASA-N -1 1 417.428 2.691 20 0 HFADMM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000804972091 1078809498 /nfs/dbraw/zinc/80/94/98/1078809498.db2.gz ZKEWIGVMLSTGGQ-LLVKDONJSA-N -1 1 416.341 2.799 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)c(Br)n1C ZINC000804980022 1078816586 /nfs/dbraw/zinc/81/65/86/1078816586.db2.gz RFONXHIOXRKHTG-GFCCVEGCSA-N -1 1 420.329 2.776 20 0 HFADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCC2 ZINC000805020588 1078831664 /nfs/dbraw/zinc/83/16/64/1078831664.db2.gz OYMCFHJKGHKQEY-VXGBXAGGSA-N -1 1 406.346 2.507 20 0 HFADMM CO[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1cccc(Cl)c1 ZINC000805020619 1078831725 /nfs/dbraw/zinc/83/17/25/1078831725.db2.gz POVKBCUZJXUPTH-GFCCVEGCSA-N -1 1 422.732 2.810 20 0 HFADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(CC)CC ZINC000805028138 1078841696 /nfs/dbraw/zinc/84/16/96/1078841696.db2.gz YRXXFEYULYQNHP-NEPJUHHUSA-N -1 1 408.362 2.753 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2cccnc2)C(C)C)c(Br)n1C ZINC000805030235 1078843389 /nfs/dbraw/zinc/84/33/89/1078843389.db2.gz WDOVHXNJGNARAB-CYBMUJFWSA-N -1 1 401.330 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c(Br)n1C ZINC000805030732 1078843404 /nfs/dbraw/zinc/84/34/04/1078843404.db2.gz LHFDGRRCBFTKJZ-GPCCPHFNSA-N -1 1 414.325 2.723 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)c(Br)n1C ZINC000805050880 1078863822 /nfs/dbraw/zinc/86/38/22/1078863822.db2.gz GIRSQYOOOXBXKY-UHFFFAOYSA-N -1 1 421.386 2.766 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)c(Br)n1C ZINC000805056090 1078870397 /nfs/dbraw/zinc/87/03/97/1078870397.db2.gz MJNSBCZVZACHRN-LBPRGKRZSA-N -1 1 418.288 2.822 20 0 HFADMM CCC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@H](O)c1ccccc1 ZINC000805085985 1078915082 /nfs/dbraw/zinc/91/50/82/1078915082.db2.gz XTIODWNPNFDQSW-ZIAGYGMSSA-N -1 1 416.341 2.672 20 0 HFADMM CCC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@@H](O)c1ccccc1 ZINC000805085982 1078915099 /nfs/dbraw/zinc/91/50/99/1078915099.db2.gz XTIODWNPNFDQSW-KBPBESRZSA-N -1 1 416.341 2.672 20 0 HFADMM C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805125839 1078924305 /nfs/dbraw/zinc/92/43/05/1078924305.db2.gz LAUDLATUVIIVSV-MKBNYLNASA-N -1 1 404.454 2.641 20 0 HFADMM CCCOc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cn1 ZINC000805089651 1078916603 /nfs/dbraw/zinc/91/66/03/1078916603.db2.gz SRDPDGPLQIPNIU-XEZPLFJOSA-N -1 1 416.444 2.857 20 0 HFADMM O=C(CSCc1ccccn1)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001130086632 1078922752 /nfs/dbraw/zinc/92/27/52/1078922752.db2.gz GNPQMFSYHRURIT-OAHLLOKOSA-N -1 1 409.433 2.951 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccc(C(C)(C)O)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805302018 1078995581 /nfs/dbraw/zinc/99/55/81/1078995581.db2.gz BNNUMLFAURXLAQ-XEZPLFJOSA-N -1 1 415.456 2.901 20 0 HFADMM COc1ccccc1CONC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805444700 1079068999 /nfs/dbraw/zinc/06/89/99/1079068999.db2.gz RCJHUUXMSOMKJQ-HUBLWGQQSA-N -1 1 403.401 2.614 20 0 HFADMM Cc1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000805539756 1079130054 /nfs/dbraw/zinc/13/00/54/1079130054.db2.gz AWNVRKFURYLPRG-ZDUSSCGKSA-N -1 1 418.450 2.981 20 0 HFADMM COc1cccc(CN(C(=O)COC(=O)c2cn[n-]n2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000805603703 1079152933 /nfs/dbraw/zinc/15/29/33/1079152933.db2.gz SOTOSMRGLVGOPV-UHFFFAOYSA-N -1 1 424.501 2.968 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1ccccc1=O ZINC000805829266 1079298790 /nfs/dbraw/zinc/29/87/90/1079298790.db2.gz JEARSZMDODLNOQ-LPHOPBHVSA-N -1 1 423.435 2.741 20 0 HFADMM O=C(OCc1ncnn1CC(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000805937416 1079363389 /nfs/dbraw/zinc/36/33/89/1079363389.db2.gz AGOLKVHAXLOJGT-UHFFFAOYSA-N -1 1 422.413 2.701 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CCCN1c1nccs1 ZINC000806018821 1079392476 /nfs/dbraw/zinc/39/24/76/1079392476.db2.gz GGNVJNBMGBWFCE-INIZCTEOSA-N -1 1 411.487 2.764 20 0 HFADMM COc1cccc(COCC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806018700 1079392517 /nfs/dbraw/zinc/39/25/17/1079392517.db2.gz ZHBZZCXHQSLJML-UHFFFAOYSA-N -1 1 409.442 2.864 20 0 HFADMM COc1cc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000787416454 1076799139 /nfs/dbraw/zinc/79/91/39/1076799139.db2.gz DJBFMSWLSBZZTD-HXUWFJFHSA-N -1 1 417.849 2.642 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787804892 1076951003 /nfs/dbraw/zinc/95/10/03/1076951003.db2.gz YMBWVRDOZXTIPX-MRXNPFEDSA-N -1 1 418.444 2.813 20 0 HFADMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000787921764 1076998163 /nfs/dbraw/zinc/99/81/63/1076998163.db2.gz BZXXMMZXHRKZPL-OAQYLSRUSA-N -1 1 400.438 2.815 20 0 HFADMM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956563 1077008169 /nfs/dbraw/zinc/00/81/69/1077008169.db2.gz TYDUHCSNZDGXHA-CYBMUJFWSA-N -1 1 413.405 2.760 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC3OCCCO3)c2)c1 ZINC000787958888 1077009421 /nfs/dbraw/zinc/00/94/21/1077009421.db2.gz VQFMVIKNWPWZLK-UHFFFAOYSA-N -1 1 404.488 2.597 20 0 HFADMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ccnn1C ZINC000788076782 1077053471 /nfs/dbraw/zinc/05/34/71/1077053471.db2.gz GCIJOASXTQCQTE-LLVKDONJSA-N -1 1 421.748 2.949 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)c1C ZINC000788117081 1077058451 /nfs/dbraw/zinc/05/84/51/1077058451.db2.gz DZLDBVRILOIQDG-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@H]3CCOC3)c2)c1 ZINC000788117543 1077058472 /nfs/dbraw/zinc/05/84/72/1077058472.db2.gz HVCVJEOABOUFTO-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)ccc21 ZINC000788488360 1077177960 /nfs/dbraw/zinc/17/79/60/1077177960.db2.gz IAKXZLNZTBCREI-UHFFFAOYSA-N -1 1 413.377 2.507 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 ZINC000788497591 1077182277 /nfs/dbraw/zinc/18/22/77/1077182277.db2.gz AFRASNQRRCLDRG-UHFFFAOYSA-N -1 1 403.460 2.721 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@@H]1c1ccccc1OC ZINC000788572566 1077210204 /nfs/dbraw/zinc/21/02/04/1077210204.db2.gz VKWUIPZRRLGFMT-MMOPVJDHSA-N -1 1 404.507 2.859 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(O)(C(C)C)C3)cc2)cc1 ZINC000788617935 1077230161 /nfs/dbraw/zinc/23/01/61/1077230161.db2.gz WSNSYFFMQXYLPR-UHFFFAOYSA-N -1 1 418.515 2.729 20 0 HFADMM CCNc1nc(C)c(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)s1 ZINC000791025491 1077274923 /nfs/dbraw/zinc/27/49/23/1077274923.db2.gz UBJPWSHKEKCECQ-UHFFFAOYSA-N -1 1 414.491 2.775 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)ccnc1-2 ZINC000791166621 1077323526 /nfs/dbraw/zinc/32/35/26/1077323526.db2.gz XHIKWXAUEXMVFV-QGZVFWFLSA-N -1 1 414.307 2.880 20 0 HFADMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)OCC(F)(F)F ZINC000788880435 1077328260 /nfs/dbraw/zinc/32/82/60/1077328260.db2.gz LXIPMLAOZHZDLX-UHFFFAOYSA-N -1 1 417.361 2.750 20 0 HFADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nnnn1C1CC1 ZINC000791266298 1077352771 /nfs/dbraw/zinc/35/27/71/1077352771.db2.gz NVOJLDVSRPDTJZ-CYBMUJFWSA-N -1 1 413.459 2.727 20 0 HFADMM COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)CN1CCCCC1 ZINC000788919413 1077355036 /nfs/dbraw/zinc/35/50/36/1077355036.db2.gz JVMRCERNLWWGLO-LLVKDONJSA-N -1 1 409.321 2.750 20 0 HFADMM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)Cc3noc4ccccc43)C2=O)c(C)c1 ZINC000788949534 1077358370 /nfs/dbraw/zinc/35/83/70/1077358370.db2.gz OANCUKWLGHLNOG-KRWDZBQOSA-N -1 1 413.499 2.978 20 0 HFADMM O=C(c1ccc([O-])cc1F)N1CCn2c(nnc2-c2cncc(Br)c2)C1 ZINC000791284650 1077369870 /nfs/dbraw/zinc/36/98/70/1077369870.db2.gz BIOWWWNEOCYWBS-UHFFFAOYSA-N -1 1 418.226 2.603 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)ccnc1-2 ZINC000791287440 1077371129 /nfs/dbraw/zinc/37/11/29/1077371129.db2.gz TWSRXVJNCYHNGW-UHFFFAOYSA-N -1 1 401.405 2.710 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2C(F)(F)F)o1 ZINC000789026004 1077388188 /nfs/dbraw/zinc/38/81/88/1077388188.db2.gz RSLFNWXQKROCHF-SECBINFHSA-N -1 1 405.350 2.635 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)c2ccc(Br)cc2)co1 ZINC000791985985 1077623813 /nfs/dbraw/zinc/62/38/13/1077623813.db2.gz OERAGDDONXOZNH-SNVBAGLBSA-N -1 1 402.266 2.911 20 0 HFADMM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2c(C)ccnc2Br)s1 ZINC000789736253 1077743202 /nfs/dbraw/zinc/74/32/02/1077743202.db2.gz WVTYZQQXPSUIFA-UHFFFAOYSA-N -1 1 405.299 2.677 20 0 HFADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(OC)nc2Cl)c1OC ZINC000789736536 1077772147 /nfs/dbraw/zinc/77/21/47/1077772147.db2.gz AYFJCFQNVPVAEK-UHFFFAOYSA-N -1 1 421.258 2.993 20 0 HFADMM Cc1n[nH]nc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000789899576 1077855217 /nfs/dbraw/zinc/85/52/17/1077855217.db2.gz AFGJXGSNGSHCBK-UHFFFAOYSA-N -1 1 409.830 2.959 20 0 HFADMM Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@H]2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000789941850 1077861588 /nfs/dbraw/zinc/86/15/88/1077861588.db2.gz MQPQFRGWPVYRKA-MEDUHNTESA-N -1 1 423.878 2.885 20 0 HFADMM Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c(C)c1CC(=O)[O-] ZINC000790005540 1077900566 /nfs/dbraw/zinc/90/05/66/1077900566.db2.gz OIWVMGLNPBINKJ-KRWDZBQOSA-N -1 1 405.472 2.856 20 0 HFADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc(Cl)c1F ZINC000790006395 1077901249 /nfs/dbraw/zinc/90/12/49/1077901249.db2.gz ZVRMHHCQKPENII-ZDUSSCGKSA-N -1 1 401.799 2.794 20 0 HFADMM CS(=O)(=O)CC[C@@H](C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC000790041961 1077908942 /nfs/dbraw/zinc/90/89/42/1077908942.db2.gz AZUXIKVDKCAAIM-GFCCVEGCSA-N -1 1 413.293 2.707 20 0 HFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000790014344 1077913412 /nfs/dbraw/zinc/91/34/12/1077913412.db2.gz VSBKASYLZPFDJP-CABCVRRESA-N -1 1 423.439 2.881 20 0 HFADMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000790075597 1077923533 /nfs/dbraw/zinc/92/35/33/1077923533.db2.gz XXVNAVAEKULLCI-LBPRGKRZSA-N -1 1 402.488 2.896 20 0 HFADMM COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3nc(Cl)ccc3[O-])CC2)c1 ZINC000790057050 1077934474 /nfs/dbraw/zinc/93/44/74/1077934474.db2.gz TVCWYZJTRMNKKP-UHFFFAOYSA-N -1 1 419.865 2.949 20 0 HFADMM CC(C)N1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1=O ZINC000746899356 1078000768 /nfs/dbraw/zinc/00/07/68/1078000768.db2.gz WKBOLDSUWSQCGW-GOSISDBHSA-N -1 1 420.462 2.793 20 0 HFADMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)ccc1Br ZINC000790350523 1078001925 /nfs/dbraw/zinc/00/19/25/1078001925.db2.gz HOLZACMVNBYSBP-UHFFFAOYSA-N -1 1 411.277 2.995 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1Br ZINC000790351455 1078002028 /nfs/dbraw/zinc/00/20/28/1078002028.db2.gz UUGONUYSGFFSGN-UHFFFAOYSA-N -1 1 411.277 2.995 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H]3CCN(C(C)C)C3=O)c2)c1 ZINC000746898348 1078007684 /nfs/dbraw/zinc/00/76/84/1078007684.db2.gz NMUXERGXEQVMIB-LJQANCHMSA-N -1 1 416.499 2.962 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000792832783 1078008031 /nfs/dbraw/zinc/00/80/31/1078008031.db2.gz QARMCMCFCCNOAL-OAHLLOKOSA-N -1 1 419.485 2.959 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000790388828 1078012452 /nfs/dbraw/zinc/01/24/52/1078012452.db2.gz IFTZXHZXBWHXSF-VWLOTQADSA-N -1 1 417.892 2.726 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790394435 1078014497 /nfs/dbraw/zinc/01/44/97/1078014497.db2.gz OBYRDYRDNSEAKG-NHCUHLMSSA-N -1 1 406.486 2.970 20 0 HFADMM CN1CC[C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806490308 1079739578 /nfs/dbraw/zinc/73/95/78/1079739578.db2.gz FKDVYNGZJUWCDG-DLBZAZTESA-N -1 1 402.861 2.701 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCc4c(F)cc(Br)cc4C3)ccnc1-2 ZINC000806490201 1079740262 /nfs/dbraw/zinc/74/02/62/1079740262.db2.gz CEWYRXPENAQAPF-UHFFFAOYSA-N -1 1 404.243 2.834 20 0 HFADMM COc1cc2[nH]c(CCCNC(=O)N=c3ccnc4n(C)[n-]cc3-4)cc2c(OC)c1 ZINC000806492083 1079743151 /nfs/dbraw/zinc/74/31/51/1079743151.db2.gz CNAAIYQSAYWECE-UHFFFAOYSA-N -1 1 408.462 2.595 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806492871 1079743619 /nfs/dbraw/zinc/74/36/19/1079743619.db2.gz OYKRFEFWPSBCBH-CYBMUJFWSA-N -1 1 404.396 2.761 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)ccnc1-2 ZINC000806493595 1079745125 /nfs/dbraw/zinc/74/51/25/1079745125.db2.gz ZHCSYCGYOYAFTG-UHFFFAOYSA-N -1 1 422.489 2.914 20 0 HFADMM Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000806568231 1079826224 /nfs/dbraw/zinc/82/62/24/1079826224.db2.gz QETRLTSOGUTMPC-KBXCAEBGSA-N -1 1 406.479 2.774 20 0 HFADMM C[C@H]1CCN(C(=O)NCCC(=O)Nc2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806804107 1080021093 /nfs/dbraw/zinc/02/10/93/1080021093.db2.gz DBXXGYHMBHRQRT-XEZPLFJOSA-N -1 1 414.428 2.502 20 0 HFADMM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806831650 1080044193 /nfs/dbraw/zinc/04/41/93/1080044193.db2.gz ZWPTYSPPMOTIAS-UHFFFAOYSA-N -1 1 407.518 2.554 20 0 HFADMM CC(C)Cc1ccc([C@@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C2CC2)cc1 ZINC000806883139 1080081505 /nfs/dbraw/zinc/08/15/05/1080081505.db2.gz ZOIIOBZHVWMXSV-HXUWFJFHSA-N -1 1 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CC(C)SCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC001130902615 1080489017 /nfs/dbraw/zinc/48/90/17/1080489017.db2.gz XUIZKMNKKUXBJG-WCQYABFASA-N -1 1 412.474 2.508 20 0 HFADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807494202 1080685185 /nfs/dbraw/zinc/68/51/85/1080685185.db2.gz XIGIVQYZIYJSPM-MKBNYLNASA-N -1 1 411.424 2.807 20 0 HFADMM Cc1cc(C(=O)N2CCN(C)C[C@H]2C(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747401395 1080765069 /nfs/dbraw/zinc/76/50/69/1080765069.db2.gz WKBIWCRMEWCDOC-HNNXBMFYSA-N -1 1 407.458 2.669 20 0 HFADMM COc1cc(Br)c(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1OC ZINC000426746891 1126086528 /nfs/dbraw/zinc/08/65/28/1126086528.db2.gz LIWMRHTUTRVSKP-AWEZNQCLSA-N -1 1 412.284 2.523 20 0 HFADMM Cn1c(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426751840 1126087261 /nfs/dbraw/zinc/08/72/61/1126087261.db2.gz YLIUUUOPQGPGIT-LLVKDONJSA-N -1 1 401.776 2.685 20 0 HFADMM O=C([O-])[C@@H](NC(=O)NCCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000780391205 939114151 /nfs/dbraw/zinc/11/41/51/939114151.db2.gz AJEMRBAIBSBXCG-FQEVSTJZSA-N -1 1 402.539 2.531 20 0 HFADMM O=C([O-])C1(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCCCC1 ZINC000780525749 939131278 /nfs/dbraw/zinc/13/12/78/939131278.db2.gz HGJUHKSKQBMYCM-UHFFFAOYSA-N -1 1 422.283 2.821 20 0 HFADMM O=C([O-])C1(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCCCC1 ZINC000780525749 939131282 /nfs/dbraw/zinc/13/12/82/939131282.db2.gz HGJUHKSKQBMYCM-UHFFFAOYSA-N -1 1 422.283 2.821 20 0 HFADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC001119573977 939813257 /nfs/dbraw/zinc/81/32/57/939813257.db2.gz MYLUFMMMROJYFI-GOSISDBHSA-N -1 1 401.894 2.864 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000746934783 1078080427 /nfs/dbraw/zinc/08/04/27/1078080427.db2.gz ODMNUMPPYVMADY-CYBMUJFWSA-N -1 1 408.458 2.505 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000746936162 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CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000747212306 1078600846 /nfs/dbraw/zinc/60/08/46/1078600846.db2.gz LVNWSEJBOHGYJD-ZDUSSCGKSA-N -1 1 410.540 2.932 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000747212726 1078623965 /nfs/dbraw/zinc/62/39/65/1078623965.db2.gz RVQGJDLUHZCSOT-UHFFFAOYSA-N -1 1 413.474 2.821 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000747216737 1078661152 /nfs/dbraw/zinc/66/11/52/1078661152.db2.gz UELHYMNKBHWJQO-OAHLLOKOSA-N -1 1 401.442 2.789 20 0 HFADMM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000804638939 1078726291 /nfs/dbraw/zinc/72/62/91/1078726291.db2.gz SNRCIKADPXKFMP-ZIAGYGMSSA-N -1 1 416.396 2.921 20 0 HFADMM C[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc2c(c1)OCO2 ZINC000804889350 1078747596 /nfs/dbraw/zinc/74/75/96/1078747596.db2.gz LBEOKXSQQYBFQE-BUWBCJGYSA-N -1 1 415.412 2.963 20 0 HFADMM COCc1ccccc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804903306 1078758843 /nfs/dbraw/zinc/75/88/43/1078758843.db2.gz JJSWKXMKCVLZDW-XEZPLFJOSA-N -1 1 401.429 2.820 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c(Br)n1C ZINC000804940674 1078765662 /nfs/dbraw/zinc/76/56/62/1078765662.db2.gz DUDZDENUKXBQBH-UHFFFAOYSA-N -1 1 404.355 2.870 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCOc2ccc(C(C)C)cc2)c(Br)n1C ZINC000804953236 1078796063 /nfs/dbraw/zinc/79/60/63/1078796063.db2.gz IHISZLUIVJXYGY-UHFFFAOYSA-N -1 1 416.341 2.972 20 0 HFADMM CO[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000804973465 1078809931 /nfs/dbraw/zinc/80/99/31/1078809931.db2.gz MBKGVEXDXOORSE-UGQVUOCMSA-N -1 1 401.429 2.861 20 0 HFADMM CO[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccc(Cl)cc1 ZINC000805015489 1078826063 /nfs/dbraw/zinc/82/60/63/1078826063.db2.gz KGYVANAIHVMIEX-GFCCVEGCSA-N -1 1 422.732 2.810 20 0 HFADMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805016961 1078826799 /nfs/dbraw/zinc/82/67/99/1078826799.db2.gz YEOFRKBDHACBOH-NSHDSACASA-N -1 1 416.341 2.972 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)c(Br)n1C ZINC000805017455 1078829087 /nfs/dbraw/zinc/82/90/87/1078829087.db2.gz WHUWIQMHSBLBIB-LLVKDONJSA-N -1 1 402.314 2.545 20 0 HFADMM CC[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1ccccc1F ZINC000805026827 1078838981 /nfs/dbraw/zinc/83/89/81/1078838981.db2.gz CGMULHNCDRIIKE-NSHDSACASA-N -1 1 420.304 2.766 20 0 HFADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1nccs1 ZINC000805008168 1078853246 /nfs/dbraw/zinc/85/32/46/1078853246.db2.gz CPBOGHWQKMOFDV-VIFPVBQESA-N -1 1 414.452 2.866 20 0 HFADMM COCCCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000805041935 1078858099 /nfs/dbraw/zinc/85/80/99/1078858099.db2.gz HSNBKZVVMJDWIL-UHFFFAOYSA-N -1 1 416.858 2.978 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC2(Cc3ccc(F)cc3)CC2)c(Br)n1C ZINC000805053620 1078866496 /nfs/dbraw/zinc/86/64/96/1078866496.db2.gz UTJOSDVEAVMYIV-UHFFFAOYSA-N -1 1 416.316 2.931 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c(Br)n1C ZINC000805056089 1078869849 /nfs/dbraw/zinc/86/98/49/1078869849.db2.gz MJNSBCZVZACHRN-GFCCVEGCSA-N -1 1 418.288 2.822 20 0 HFADMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000805036278 1078883057 /nfs/dbraw/zinc/88/30/57/1078883057.db2.gz CKSRRVYZEQYUIH-UHFFFAOYSA-N -1 1 410.489 2.741 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2)n1)C(F)(F)F ZINC001130086727 1078923096 /nfs/dbraw/zinc/92/30/96/1078923096.db2.gz HLGVYFZBUMRJPA-OAHLLOKOSA-N -1 1 415.375 2.517 20 0 HFADMM CCc1ccc(CS(=O)(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805127356 1078927361 /nfs/dbraw/zinc/92/73/61/1078927361.db2.gz YMLVXBCBQRVPBO-XEZPLFJOSA-N -1 1 406.470 2.856 20 0 HFADMM Cc1cccc2nc(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cn21 ZINC000805138840 1078935216 /nfs/dbraw/zinc/93/52/16/1078935216.db2.gz HXVPQYFIXGFAKS-RBOXIYTFSA-N -1 1 411.428 2.630 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805227254 1079040596 /nfs/dbraw/zinc/04/05/96/1079040596.db2.gz ADUIYPMARCXMDN-OSLXHZNNSA-N -1 1 417.472 2.821 20 0 HFADMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)OC(=O)c1cn[n-]n1 ZINC000805607865 1079195144 /nfs/dbraw/zinc/19/51/44/1079195144.db2.gz SPHSJFAGXYNWJK-NSHDSACASA-N -1 1 414.443 2.894 20 0 HFADMM CCN(CC)C(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805828823 1079298240 /nfs/dbraw/zinc/29/82/40/1079298240.db2.gz BTBLUNVSZYRPSD-YJBOKZPZSA-N -1 1 415.456 2.748 20 0 HFADMM COC(=O)c1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c(F)c1 ZINC000806016773 1079390081 /nfs/dbraw/zinc/39/00/81/1079390081.db2.gz JXMGSXXWSHGIFK-UHFFFAOYSA-N -1 1 411.389 2.878 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCc1cccc2c1OCO2 ZINC000806017770 1079391243 /nfs/dbraw/zinc/39/12/43/1079391243.db2.gz GZGAKMRSZBWFAA-UHFFFAOYSA-N -1 1 407.426 3.000 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000806018575 1079392682 /nfs/dbraw/zinc/39/26/82/1079392682.db2.gz GZJMFOSHGCZRCN-OAHLLOKOSA-N -1 1 420.469 2.847 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCNC(=O)OC(C)(C)C ZINC000806019291 1079393720 /nfs/dbraw/zinc/39/37/20/1079393720.db2.gz SRRVNXHNARIUJS-UHFFFAOYSA-N -1 1 402.451 2.553 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(C2OCCO2)c1 ZINC000806020378 1079394581 /nfs/dbraw/zinc/39/45/81/1079394581.db2.gz PNCXLSVTKSRURS-UHFFFAOYSA-N -1 1 407.426 2.998 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806184072 1079477491 /nfs/dbraw/zinc/47/74/91/1079477491.db2.gz QRDNNUBZWRXPHU-HUBLWGQQSA-N -1 1 414.428 2.698 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000787694090 1076915013 /nfs/dbraw/zinc/91/50/13/1076915013.db2.gz PELTZGLDNJPBFO-UHFFFAOYSA-N -1 1 402.476 2.539 20 0 HFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000787698197 1076916538 /nfs/dbraw/zinc/91/65/38/1076916538.db2.gz HHQXKDXKRSVTIB-UHFFFAOYSA-N -1 1 416.503 2.929 20 0 HFADMM Cn1[n-]c(COC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc1=O ZINC000787831083 1076956605 /nfs/dbraw/zinc/95/66/05/1076956605.db2.gz GCPPCLNTKNAICA-UHFFFAOYSA-N -1 1 412.233 2.531 20 0 HFADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955695 1077007678 /nfs/dbraw/zinc/00/76/78/1077007678.db2.gz MNYWNWLYIRCCPG-UHFFFAOYSA-N -1 1 408.393 2.667 20 0 HFADMM CN(Cc1ccccc1F)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955769 1077008288 /nfs/dbraw/zinc/00/82/88/1077008288.db2.gz NRVCMLVZOYMONA-UHFFFAOYSA-N -1 1 401.369 2.672 20 0 HFADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000788063308 1077047233 /nfs/dbraw/zinc/04/72/33/1077047233.db2.gz VWYAQNJBDVNQRG-UHFFFAOYSA-N -1 1 418.880 2.723 20 0 HFADMM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788147160 1077065066 /nfs/dbraw/zinc/06/50/66/1077065066.db2.gz HTHPXVJBACZTMA-SECBINFHSA-N -1 1 412.953 2.897 20 0 HFADMM O=C(c1ccc(Br)cc1[O-])N1CCn2c(Br)cnc2C1 ZINC000788194540 1077075828 /nfs/dbraw/zinc/07/58/28/1077075828.db2.gz CXMDXFNDSXGMGK-UHFFFAOYSA-N -1 1 401.058 2.770 20 0 HFADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)C(OC)OC ZINC000788199590 1077077924 /nfs/dbraw/zinc/07/79/24/1077077924.db2.gz SBBWIUFPTFJCHL-GOSISDBHSA-N -1 1 422.503 2.623 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3nccn3C)c2)cc1 ZINC000788201762 1077078307 /nfs/dbraw/zinc/07/83/07/1077078307.db2.gz VLUHZELTGRJXHJ-UHFFFAOYSA-N -1 1 414.487 2.896 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3C(=O)CN(C)C3=O)c2)cc1Cl ZINC000788484778 1077176838 /nfs/dbraw/zinc/17/68/38/1077176838.db2.gz LDRNRUYKSNVUAR-UHFFFAOYSA-N -1 1 423.878 2.856 20 0 HFADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1F ZINC000788495619 1077181503 /nfs/dbraw/zinc/18/15/03/1077181503.db2.gz SBYHENHGEWTCKF-UHFFFAOYSA-N -1 1 407.876 2.745 20 0 HFADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)c1 ZINC000788498684 1077182614 /nfs/dbraw/zinc/18/26/14/1077182614.db2.gz MZDQLDAFNSIIJW-UHFFFAOYSA-N -1 1 401.444 2.525 20 0 HFADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000788505591 1077185493 /nfs/dbraw/zinc/18/54/93/1077185493.db2.gz LAQOQQXNGNJQMO-STQMWFEESA-N -1 1 404.492 2.541 20 0 HFADMM COC(=O)c1c[n-]c(SCC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)n1 ZINC000788506322 1077185922 /nfs/dbraw/zinc/18/59/22/1077185922.db2.gz VBRPSLNTJZKHRM-UHFFFAOYSA-N -1 1 413.503 2.717 20 0 HFADMM COc1ccc(CCS(=O)(=O)[N-][C@H](c2noc(C)n2)c2ccccc2OC)cc1 ZINC000788625797 1077234695 /nfs/dbraw/zinc/23/46/95/1077234695.db2.gz KPLTYBUNHHQFNS-IBGZPJMESA-N -1 1 417.487 2.647 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@@H](OC)C(F)(F)F)c(C)c1Cl ZINC000788677829 1077247401 /nfs/dbraw/zinc/24/74/01/1077247401.db2.gz HPMWMUJRVSEBIW-SSDOTTSWSA-N -1 1 409.835 2.742 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)n[n-]1 ZINC000791168740 1077324351 /nfs/dbraw/zinc/32/43/51/1077324351.db2.gz QFIGZFLURMLUMC-LBPRGKRZSA-N -1 1 424.299 2.965 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)[n-]1 ZINC000791168740 1077324354 /nfs/dbraw/zinc/32/43/54/1077324354.db2.gz QFIGZFLURMLUMC-LBPRGKRZSA-N -1 1 424.299 2.965 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)n1 ZINC000791168740 1077324360 /nfs/dbraw/zinc/32/43/60/1077324360.db2.gz QFIGZFLURMLUMC-LBPRGKRZSA-N -1 1 424.299 2.965 20 0 HFADMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000791230613 1077337813 /nfs/dbraw/zinc/33/78/13/1077337813.db2.gz UFDSXIDIMRKAFV-KRWDZBQOSA-N -1 1 418.375 2.680 20 0 HFADMM O=S(=O)([N-][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000788902988 1077346714 /nfs/dbraw/zinc/34/67/14/1077346714.db2.gz PBBOLHUMNDLYAR-YPMHNXCESA-N -1 1 408.278 2.895 20 0 HFADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCOC(F)(F)F ZINC000788915214 1077352654 /nfs/dbraw/zinc/35/26/54/1077352654.db2.gz BFHKKBYZMZJORP-UHFFFAOYSA-N -1 1 412.611 2.926 20 0 HFADMM C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nnnn1C1CC1 ZINC000791291473 1077357862 /nfs/dbraw/zinc/35/78/62/1077357862.db2.gz KNYIMFMWYAVTRC-ZDUSSCGKSA-N -1 1 413.459 2.727 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)o1 ZINC000789026005 1077388299 /nfs/dbraw/zinc/38/82/99/1077388299.db2.gz RSLFNWXQKROCHF-VIFPVBQESA-N -1 1 405.350 2.635 20 0 HFADMM Cc1nc(CC(C)C)oc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000789131663 1077405555 /nfs/dbraw/zinc/40/55/55/1077405555.db2.gz ROIUOVCRNQYUPU-UHFFFAOYSA-N -1 1 410.373 2.896 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)co1 ZINC000791429072 1077416961 /nfs/dbraw/zinc/41/69/61/1077416961.db2.gz BYQWMAPHPABJFB-ZDUSSCGKSA-N -1 1 422.242 2.566 20 0 HFADMM O=C(COC(=O)C1(c2ccccc2Br)CC1)[N-]C(=O)c1ccccc1 ZINC000789281478 1077494912 /nfs/dbraw/zinc/49/49/12/1077494912.db2.gz OJGGWTHPSUQWMN-UHFFFAOYSA-N -1 1 402.244 2.981 20 0 HFADMM O=C([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1[nH]nc2c1CCCCC2 ZINC000789368805 1077540984 /nfs/dbraw/zinc/54/09/84/1077540984.db2.gz HHPRBXZSNOEZFJ-UHFFFAOYSA-N -1 1 405.373 2.955 20 0 HFADMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)OCC2(F)CC2)cc1 ZINC000789584444 1077669422 /nfs/dbraw/zinc/66/94/22/1077669422.db2.gz CHXKEXKULJFPKY-OAHLLOKOSA-N -1 1 419.478 2.768 20 0 HFADMM COC(=O)c1ccc(C)c(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000789627791 1077699464 /nfs/dbraw/zinc/69/94/64/1077699464.db2.gz IKNJNAGJWBHYJR-UHFFFAOYSA-N -1 1 409.460 2.808 20 0 HFADMM CS(=O)(=O)c1ccc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1 ZINC000792293532 1077778590 /nfs/dbraw/zinc/77/85/90/1077778590.db2.gz DYLNMVSIIVPIRB-UHFFFAOYSA-N -1 1 406.847 2.992 20 0 HFADMM NC(=O)N1CCC[C@H](C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000792266163 1077787102 /nfs/dbraw/zinc/78/71/02/1077787102.db2.gz DCSWQVGKJVLFLK-ZDUSSCGKSA-N -1 1 412.471 2.898 20 0 HFADMM O=C(CCN1CCOCC1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000789920446 1077847560 /nfs/dbraw/zinc/84/75/60/1077847560.db2.gz DAXDONTXJQJJDD-UHFFFAOYSA-N -1 1 423.922 2.802 20 0 HFADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000792536554 1077892163 /nfs/dbraw/zinc/89/21/63/1077892163.db2.gz YYJGZDQFISZUFM-JKIFEVAISA-N -1 1 414.531 2.732 20 0 HFADMM C[C@@H]1OCC[C@]12CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])CCO2 ZINC000792539717 1077903623 /nfs/dbraw/zinc/90/36/23/1077903623.db2.gz KYVAZOLZFZDHJJ-GTNSWQLSSA-N -1 1 418.368 2.523 20 0 HFADMM O=C(C=CC(=O)Nc1nc(Br)ccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC000790042064 1077908988 /nfs/dbraw/zinc/90/89/88/1077908988.db2.gz DTYYOMFYENMCHJ-WAYWQWQTSA-N -1 1 402.208 2.559 20 0 HFADMM CCn1cccc(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c1=O ZINC000790082517 1077926151 /nfs/dbraw/zinc/92/61/51/1077926151.db2.gz FVVQFYUYJHURMD-UHFFFAOYSA-N -1 1 413.352 2.615 20 0 HFADMM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])c(OC)c1 ZINC000790047226 1077928110 /nfs/dbraw/zinc/92/81/10/1077928110.db2.gz AVLDLEDLXONIHD-CYBMUJFWSA-N -1 1 405.838 2.701 20 0 HFADMM CS(=O)(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1Br ZINC000790047301 1077928205 /nfs/dbraw/zinc/92/82/05/1077928205.db2.gz JRBSFQWXIVZUNB-UHFFFAOYSA-N -1 1 405.657 2.859 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000790055817 1077933824 /nfs/dbraw/zinc/93/38/24/1077933824.db2.gz HDVWVEVFXPTADR-UHFFFAOYSA-N -1 1 402.259 2.741 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccccc3NC(=O)OC)c2)n1 ZINC000790159823 1077961946 /nfs/dbraw/zinc/96/19/46/1077961946.db2.gz LRSZICKAZXEOQB-UHFFFAOYSA-N -1 1 423.429 2.757 20 0 HFADMM Cc1cc(CS(=O)(=O)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1 ZINC000790169625 1077964521 /nfs/dbraw/zinc/96/45/21/1077964521.db2.gz MKJRUWYSJXVAEV-UHFFFAOYSA-N -1 1 408.457 2.693 20 0 HFADMM COc1cccc(CCC(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000792724810 1077975346 /nfs/dbraw/zinc/97/53/46/1077975346.db2.gz GUAACYBEFHVXNK-UHFFFAOYSA-N -1 1 407.369 2.729 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)co1 ZINC000792697657 1077977767 /nfs/dbraw/zinc/97/77/67/1077977767.db2.gz DKRGVPWMFABAOA-NSHDSACASA-N -1 1 405.259 2.748 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(N3CCC3=O)c2)cc1C(=O)[O-] ZINC000790347915 1078000979 /nfs/dbraw/zinc/00/09/79/1078000979.db2.gz HMCSIZWGEVEACK-UHFFFAOYSA-N -1 1 410.835 2.584 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000792828783 1078007231 /nfs/dbraw/zinc/00/72/31/1078007231.db2.gz WABMWJNSHWAOQY-OAHLLOKOSA-N -1 1 419.485 2.959 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000790388809 1078012427 /nfs/dbraw/zinc/01/24/27/1078012427.db2.gz IFTZXHZXBWHXSF-RUZDIDTESA-N -1 1 417.892 2.726 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790403831 1078018813 /nfs/dbraw/zinc/01/88/13/1078018813.db2.gz VQHSGWZGYUBOHQ-LEWJYISDSA-N -1 1 406.486 2.557 20 0 HFADMM CC(=O)N(C)c1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806237734 1079514370 /nfs/dbraw/zinc/51/43/70/1079514370.db2.gz IBHNGZXWPKDTIO-MKBNYLNASA-N -1 1 414.428 2.979 20 0 HFADMM CC(C)CC[C@H](NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)C ZINC000806317445 1079552410 /nfs/dbraw/zinc/55/24/10/1079552410.db2.gz IFRFJEUCBHXTRX-HNNXBMFYSA-N -1 1 421.504 2.871 20 0 HFADMM CCOCCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000806368331 1079654089 /nfs/dbraw/zinc/65/40/89/1079654089.db2.gz JPXSREWQTHVJDN-HOCLYGCPSA-N -1 1 417.428 2.625 20 0 HFADMM COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000806449476 1079720887 /nfs/dbraw/zinc/72/08/87/1079720887.db2.gz VMFQGTPYDIMJHJ-AWEZNQCLSA-N -1 1 418.450 2.567 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCCC[C@H]3COC(=O)NC3CCCCC3)ccnc1-2 ZINC000806489888 1079740378 /nfs/dbraw/zinc/74/03/78/1079740378.db2.gz HREMHWJYPXVWAE-INIZCTEOSA-N -1 1 414.510 2.787 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](CNC(=O)OCc4ccccc4)C3)ccnc1-2 ZINC000806493542 1079745684 /nfs/dbraw/zinc/74/56/84/1079745684.db2.gz XUGIDHDJXIWVLR-KRWDZBQOSA-N -1 1 422.489 2.512 20 0 HFADMM COC(=O)C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(C(F)(F)F)cc1 ZINC000806481504 1079768453 /nfs/dbraw/zinc/76/84/53/1079768453.db2.gz DLZHTPVYLNJYDJ-OAHLLOKOSA-N -1 1 421.379 2.787 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](c3cncc(Br)c3)C3CC3)ccnc1-2 ZINC000806483385 1079768497 /nfs/dbraw/zinc/76/84/97/1079768497.db2.gz DQNSPCRWMBAHDL-OAHLLOKOSA-N -1 1 401.268 2.772 20 0 HFADMM Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482620 1079769949 /nfs/dbraw/zinc/76/99/49/1079769949.db2.gz OFFSVDXDJRKJBX-UHFFFAOYSA-N -1 1 409.450 2.786 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](CO)c3ccc(Cl)cc3C(F)(F)F)ccnc1-2 ZINC000806486768 1079773094 /nfs/dbraw/zinc/77/30/94/1079773094.db2.gz GMNBLZQWIVKXKY-AWEZNQCLSA-N -1 1 413.787 2.869 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCN(C(=O)c4cc5ccccc5s4)CC3)ccnc1-2 ZINC000806487536 1079774186 /nfs/dbraw/zinc/77/41/86/1079774186.db2.gz GNBZVIQLOFQMHP-UHFFFAOYSA-N -1 1 420.498 2.546 20 0 HFADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000806547761 1079786087 /nfs/dbraw/zinc/78/60/87/1079786087.db2.gz QLBNJDSQPWFTRU-CVEARBPZSA-N -1 1 417.256 2.905 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1F ZINC000806568693 1079828181 /nfs/dbraw/zinc/82/81/81/1079828181.db2.gz XBHYKVBWICARAJ-PBHICJAKSA-N -1 1 406.479 2.774 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C=C1CCCC1 ZINC001130701805 1079902133 /nfs/dbraw/zinc/90/21/33/1079902133.db2.gz XPEWAXLJNVXGGG-UKRRQHHQSA-N -1 1 404.429 2.867 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)ccnc1-2 ZINC000806831143 1080044605 /nfs/dbraw/zinc/04/46/05/1080044605.db2.gz SZOZTXVHPXNGQQ-IBGZPJMESA-N -1 1 419.872 2.840 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H](CCCc4ccccc4)C3)ccnc1-2 ZINC000806947684 1080156578 /nfs/dbraw/zinc/15/65/78/1080156578.db2.gz MBBFVXSEYLRTSD-SFHVURJKSA-N -1 1 405.502 2.542 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc(COC4CCCCC4)c3)ccnc1-2 ZINC000807004635 1080181756 /nfs/dbraw/zinc/18/17/56/1080181756.db2.gz QLVCVUIFWBTLDZ-UHFFFAOYSA-N -1 1 407.474 2.768 20 0 HFADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807020296 1080215579 /nfs/dbraw/zinc/21/55/79/1080215579.db2.gz UHWMHWZDERSKSO-HNNXBMFYSA-N -1 1 406.490 2.606 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C2N=NC(=S)N2C(C)C)CC1 ZINC000747386430 1080463708 /nfs/dbraw/zinc/46/37/08/1080463708.db2.gz NZHIWTMPTOXDFN-UHFFFAOYSA-N -1 1 408.553 2.693 20 0 HFADMM COC(=O)CCCOc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000747396231 1080572008 /nfs/dbraw/zinc/57/20/08/1080572008.db2.gz ZCIRLAIPWAIKEY-UHFFFAOYSA-N -1 1 401.463 2.876 20 0 HFADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000747406726 1080800602 /nfs/dbraw/zinc/80/06/02/1080800602.db2.gz IYSMEMXQHJSEDG-GASCZTMLSA-N -1 1 404.488 2.888 20 0 HFADMM COc1ccc(Br)c(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000426726191 1126083298 /nfs/dbraw/zinc/08/32/98/1126083298.db2.gz HWNFYDCCLGGNPY-GFCCVEGCSA-N -1 1 422.201 2.916 20 0 HFADMM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505070 939129522 /nfs/dbraw/zinc/12/95/22/939129522.db2.gz CSYYXFFKGKNITL-QRWLVFNGSA-N -1 1 414.481 2.764 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000746935282 1078078458 /nfs/dbraw/zinc/07/84/58/1078078458.db2.gz PKRQYBODWFBLPF-SRCQZFHVSA-N -1 1 402.495 2.611 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000746935124 1078079065 /nfs/dbraw/zinc/07/90/65/1078079065.db2.gz LGPFOETUYVQYIV-YOEHRIQHSA-N -1 1 424.501 2.836 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000746937756 1078083376 /nfs/dbraw/zinc/08/33/76/1078083376.db2.gz XBSYPRUKYZTYCO-UHFFFAOYSA-N -1 1 408.458 2.655 20 0 HFADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793280462 1078126995 /nfs/dbraw/zinc/12/69/95/1078126995.db2.gz NWVYQIWJTGGRRV-LBPRGKRZSA-N -1 1 423.878 2.520 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c(C)cc1F ZINC000793359723 1078147202 /nfs/dbraw/zinc/14/72/02/1078147202.db2.gz WUYJNROYLRJKAI-UHFFFAOYSA-N -1 1 408.407 2.678 20 0 HFADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CC1OCCCO1 ZINC000793377495 1078154043 /nfs/dbraw/zinc/15/40/43/1078154043.db2.gz LMWHXKYVZDVZEY-UHFFFAOYSA-N -1 1 404.488 2.599 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000793408918 1078158231 /nfs/dbraw/zinc/15/82/31/1078158231.db2.gz LUZQLSHNXOPXHR-GOSISDBHSA-N -1 1 405.472 2.534 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)OC)cc2)c(C)cc1F ZINC000793393878 1078165219 /nfs/dbraw/zinc/16/52/19/1078165219.db2.gz IYXZUQFENUCXAB-UHFFFAOYSA-N -1 1 424.450 2.920 20 0 HFADMM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000793765764 1078282690 /nfs/dbraw/zinc/28/26/90/1078282690.db2.gz MFNGSNLQHQMZPL-CABCVRRESA-N -1 1 400.541 2.939 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793940535 1078352654 /nfs/dbraw/zinc/35/26/54/1078352654.db2.gz HFRDFKNNHJDPBB-KBPBESRZSA-N -1 1 412.833 2.971 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccncc2)c(C)cc1F ZINC000794020066 1078362477 /nfs/dbraw/zinc/36/24/77/1078362477.db2.gz SNGPHFQLADFVFU-UHFFFAOYSA-N -1 1 404.423 2.611 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000794030543 1078369592 /nfs/dbraw/zinc/36/95/92/1078369592.db2.gz TVZLYJCTLDUXCU-UHFFFAOYSA-N -1 1 404.488 2.803 20 0 HFADMM CSCCONC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000794181260 1078382016 /nfs/dbraw/zinc/38/20/16/1078382016.db2.gz RGRSHSSEJFMREW-UHFFFAOYSA-N -1 1 402.444 2.790 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)CN(Cc3ccco3)c3cccc(Cl)c3)nc2n1 ZINC001129409151 1078442026 /nfs/dbraw/zinc/44/20/26/1078442026.db2.gz NPEQFZBWARZYAU-UHFFFAOYSA-N -1 1 412.837 2.618 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC001129820882 1078515660 /nfs/dbraw/zinc/51/56/60/1078515660.db2.gz ZRTAWOJUZVZDJB-LBPRGKRZSA-N -1 1 409.465 2.972 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000747207184 1078524207 /nfs/dbraw/zinc/52/42/07/1078524207.db2.gz KMAABHZGHDEZBI-LLVKDONJSA-N -1 1 406.508 2.651 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000747208449 1078529003 /nfs/dbraw/zinc/52/90/03/1078529003.db2.gz WOBLNLNDEVPEDL-UHFFFAOYSA-N -1 1 411.506 2.624 20 0 HFADMM Cc1cc(CNC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cc(N2CCCC2)n1 ZINC001129544664 1078555191 /nfs/dbraw/zinc/55/51/91/1078555191.db2.gz VKHDHAQBBFRCNL-UHFFFAOYSA-N -1 1 410.396 2.692 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(F)F)c1)OCC(F)(F)F ZINC000804726029 1078587138 /nfs/dbraw/zinc/58/71/38/1078587138.db2.gz ZBCHUVSDHSZCIW-JTQLQIEISA-N -1 1 412.311 2.999 20 0 HFADMM COCCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cc1 ZINC001129896062 1078590234 /nfs/dbraw/zinc/59/02/34/1078590234.db2.gz JWYXOPXHQPPEBB-INIZCTEOSA-N -1 1 422.403 2.962 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000747202527 1078677558 /nfs/dbraw/zinc/67/75/58/1078677558.db2.gz KWXITAZPRLNCQA-UHFFFAOYSA-N -1 1 402.882 2.866 20 0 HFADMM C[C@H]1CCN(C(=O)NCCCN(C)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804893878 1078751142 /nfs/dbraw/zinc/75/11/42/1078751142.db2.gz MVYSWPVWOPKHRB-ZOBUZTSGSA-N -1 1 414.472 3.000 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)c(Br)n1C ZINC000804939416 1078765087 /nfs/dbraw/zinc/76/50/87/1078765087.db2.gz LZZCRQTYRAAHLA-HNNXBMFYSA-N -1 1 421.320 2.954 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@H]2COc3ccccc3C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804943196 1078770988 /nfs/dbraw/zinc/77/09/88/1078770988.db2.gz YRVOAQYATBGWTD-WSMBLCCSSA-N -1 1 413.440 2.725 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c(Br)n1C ZINC000804965553 1078802291 /nfs/dbraw/zinc/80/22/91/1078802291.db2.gz PCVJBYXAGUHLCW-LBPRGKRZSA-N -1 1 418.288 2.822 20 0 HFADMM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000804984883 1078821015 /nfs/dbraw/zinc/82/10/15/1078821015.db2.gz PHAGVCAGNFCBCK-UHFFFAOYSA-N -1 1 423.472 2.503 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccccc2-n2cccn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805013847 1078824340 /nfs/dbraw/zinc/82/43/40/1078824340.db2.gz IAQDDTTXIFYHIG-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM CO[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1cccc(Cl)c1 ZINC000805020620 1078831655 /nfs/dbraw/zinc/83/16/55/1078831655.db2.gz POVKBCUZJXUPTH-LBPRGKRZSA-N -1 1 422.732 2.810 20 0 HFADMM CCCCO[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(C)C ZINC000805027621 1078839749 /nfs/dbraw/zinc/83/97/49/1078839749.db2.gz PMUXHDXTGAJAGI-RYUDHWBXSA-N -1 1 408.362 2.753 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c(Br)n1C ZINC000805003015 1078849196 /nfs/dbraw/zinc/84/91/96/1078849196.db2.gz IEXBUFQVBINNRU-UHFFFAOYSA-N -1 1 410.696 2.805 20 0 HFADMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805061040 1078872941 /nfs/dbraw/zinc/87/29/41/1078872941.db2.gz DOHABXDOCLBRCZ-LLVKDONJSA-N -1 1 424.361 2.527 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c(Br)n1C ZINC000805063632 1078874788 /nfs/dbraw/zinc/87/47/88/1078874788.db2.gz RYMGAWDQHQLUKZ-KBPBESRZSA-N -1 1 414.325 2.690 20 0 HFADMM COc1nc(C)cc(C)c1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805057941 1078870597 /nfs/dbraw/zinc/87/05/97/1078870597.db2.gz XYTVZZNFNOMVHC-XEGUGMAKSA-N -1 1 416.444 2.694 20 0 HFADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CCSC(C)C)c1 ZINC000805105471 1078888910 /nfs/dbraw/zinc/88/89/10/1078888910.db2.gz XSJBNQUHQAJWER-UHFFFAOYSA-N -1 1 414.318 2.795 20 0 HFADMM Cc1nc(C)c(CCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000805092502 1078919497 /nfs/dbraw/zinc/91/94/97/1078919497.db2.gz JVDIVXTXIXNFQT-CHIMOYNISA-N -1 1 406.474 2.789 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1nccc2cccnc21)C(F)(F)F ZINC001130088174 1078924868 /nfs/dbraw/zinc/92/48/68/1078924868.db2.gz XFBMKKIELCJGLW-AWEZNQCLSA-N -1 1 400.360 2.880 20 0 HFADMM Cc1[nH]nc2nc(C)cc(C(=O)N3c4ccccc4C[C@H]3C[N-]C(=O)C(F)(F)F)c12 ZINC001130086515 1078922741 /nfs/dbraw/zinc/92/27/41/1078922741.db2.gz CLALOOOSJZBBCJ-ZDUSSCGKSA-N -1 1 417.391 2.825 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2)n1)C(F)(F)F ZINC001130086726 1078923051 /nfs/dbraw/zinc/92/30/51/1078923051.db2.gz HLGVYFZBUMRJPA-HNNXBMFYSA-N -1 1 415.375 2.517 20 0 HFADMM C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805155639 1078949919 /nfs/dbraw/zinc/94/99/19/1078949919.db2.gz MOJSJVHWAOSSLV-YXWQFLTLSA-N -1 1 402.461 2.833 20 0 HFADMM COC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805168907 1078956991 /nfs/dbraw/zinc/95/69/91/1078956991.db2.gz PJZBXCJOWXQIBS-DIECFANBSA-N -1 1 415.456 2.731 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805227256 1079041122 /nfs/dbraw/zinc/04/11/22/1079041122.db2.gz ADUIYPMARCXMDN-SBOZNWLOSA-N -1 1 417.472 2.821 20 0 HFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)c2nncn2C)cc1 ZINC000805540286 1079129529 /nfs/dbraw/zinc/12/95/29/1079129529.db2.gz NIWSHLCQSCYXFS-ZDUSSCGKSA-N -1 1 418.450 2.981 20 0 HFADMM COC(=O)c1ccc([N-]C(=O)c2scnc2C(F)(F)F)c(S(C)(=O)=O)c1 ZINC001130247341 1079134222 /nfs/dbraw/zinc/13/42/22/1079134222.db2.gz LSNJPMAIFCOVLB-UHFFFAOYSA-N -1 1 408.379 2.604 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](C)Cc2cncc3ccccc32)cc1 ZINC000805676890 1079215739 /nfs/dbraw/zinc/21/57/39/1079215739.db2.gz CWQQBHSSQXTTCI-OAHLLOKOSA-N -1 1 406.438 2.922 20 0 HFADMM C[C@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785101 1079252698 /nfs/dbraw/zinc/25/26/98/1079252698.db2.gz DOKHTKMENTXYIL-MMPTUQATSA-N -1 1 416.831 2.625 20 0 HFADMM COC(=O)/C(C)=C/CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830231 1079299862 /nfs/dbraw/zinc/29/98/62/1079299862.db2.gz ZAWAYZPOZYNVSX-BPTWVKRQSA-N -1 1 414.424 2.999 20 0 HFADMM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2coc(-c3c(F)cccc3F)n2)n1 ZINC001130402524 1079303008 /nfs/dbraw/zinc/30/30/08/1079303008.db2.gz MFGYVJMOZPQWNE-UHFFFAOYSA-N -1 1 405.361 2.805 20 0 HFADMM COc1cc2c(cc1C(=O)OCCc1c(C)nc(-c3ccccn3)[n-]c1=O)OCO2 ZINC000806015705 1079389488 /nfs/dbraw/zinc/38/94/88/1079389488.db2.gz ACIWQMYJQJPALB-UHFFFAOYSA-N -1 1 409.398 2.689 20 0 HFADMM CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806017021 1079391355 /nfs/dbraw/zinc/39/13/55/1079391355.db2.gz QVAUJDYUKFLTLO-HNNXBMFYSA-N -1 1 416.478 2.942 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000806017079 1079392127 /nfs/dbraw/zinc/39/21/27/1079392127.db2.gz SQYDXNJJPICNTD-CYBMUJFWSA-N -1 1 412.471 2.518 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000806018503 1079392482 /nfs/dbraw/zinc/39/24/82/1079392482.db2.gz GBLCHLHCPJKDRK-MRXNPFEDSA-N -1 1 414.462 2.648 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000806018065 1079393197 /nfs/dbraw/zinc/39/31/97/1079393197.db2.gz PLZIEAWQMLXHHE-ZDUSSCGKSA-N -1 1 402.451 2.552 20 0 HFADMM CCOC(=O)N1CCC[C@@H](C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)C1 ZINC000806019636 1079393705 /nfs/dbraw/zinc/39/37/05/1079393705.db2.gz LVWQVYZONYVPIF-OAHLLOKOSA-N -1 1 414.462 2.507 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000806019437 1079393921 /nfs/dbraw/zinc/39/39/21/1079393921.db2.gz XUHXROUBMCYKFG-UHFFFAOYSA-N -1 1 418.453 2.861 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CC(=O)N(C)[C@@H]2C)cc1 ZINC000806071588 1079414119 /nfs/dbraw/zinc/41/41/19/1079414119.db2.gz TXYYYOYGNIILLY-RDTXWAMCSA-N -1 1 402.472 2.572 20 0 HFADMM Cc1cc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n(-c2ccccn2)n1 ZINC000806170408 1079461443 /nfs/dbraw/zinc/46/14/43/1079461443.db2.gz ZWGLRLSAJBAWLA-RBOXIYTFSA-N -1 1 424.427 2.885 20 0 HFADMM C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746697333 1076864406 /nfs/dbraw/zinc/86/44/06/1076864406.db2.gz SFKWVAWNHRBMPL-QGZVFWFLSA-N -1 1 422.554 2.808 20 0 HFADMM Cn1cnc(S(=O)(=O)[N-]C(C)(C)COc2ccc(C(F)(F)F)cn2)c1Cl ZINC000746700642 1076877525 /nfs/dbraw/zinc/87/75/25/1076877525.db2.gz VAFDAVYDJIHKHS-UHFFFAOYSA-N -1 1 412.821 2.623 20 0 HFADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000787956181 1077008294 /nfs/dbraw/zinc/00/82/94/1077008294.db2.gz QTSUBRBDVLKFBO-LLVKDONJSA-N -1 1 413.361 2.630 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1 ZINC000788089882 1077055373 /nfs/dbraw/zinc/05/53/73/1077055373.db2.gz IVUKZRCIOZHIQY-UHFFFAOYSA-N -1 1 403.504 2.975 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)cc1C ZINC000788090533 1077055739 /nfs/dbraw/zinc/05/57/39/1077055739.db2.gz PZFCEEGFURTKPZ-UHFFFAOYSA-N -1 1 403.504 2.894 20 0 HFADMM O=C(NOC[C@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000788120354 1077059269 /nfs/dbraw/zinc/05/92/69/1077059269.db2.gz VSNKAAOIKNQYHV-ZDUSSCGKSA-N -1 1 410.879 2.839 20 0 HFADMM CC(C)Oc1cc(Br)cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000788150753 1077065411 /nfs/dbraw/zinc/06/54/11/1077065411.db2.gz WXRBXILLHRMQPR-ZDUSSCGKSA-N -1 1 412.313 2.680 20 0 HFADMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000788416520 1077158481 /nfs/dbraw/zinc/15/84/81/1077158481.db2.gz SREFJARGFLADJG-LLVKDONJSA-N -1 1 423.878 2.749 20 0 HFADMM COc1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)ccc1C(=O)[O-] ZINC000788489687 1077178382 /nfs/dbraw/zinc/17/83/82/1077178382.db2.gz NNBUEDZASIEVGA-UHFFFAOYSA-N -1 1 412.851 2.549 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(C)c1Cl ZINC000788491046 1077178852 /nfs/dbraw/zinc/17/88/52/1077178852.db2.gz IFAGZQNGBIGPDH-UHFFFAOYSA-N -1 1 412.880 2.878 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)cc1C(C)C ZINC000788491583 1077179451 /nfs/dbraw/zinc/17/94/51/1077179451.db2.gz JULAYNVWYKPJSK-UHFFFAOYSA-N -1 1 412.533 2.884 20 0 HFADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000788505589 1077185581 /nfs/dbraw/zinc/18/55/81/1077185581.db2.gz LAQOQQXNGNJQMO-BETUJISGSA-N -1 1 404.492 2.541 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)c(C)c1Cl ZINC000788549182 1077197168 /nfs/dbraw/zinc/19/71/68/1077197168.db2.gz SDICBGDZOYBMHI-UHFFFAOYSA-N -1 1 403.913 2.754 20 0 HFADMM COc1cc(C(=O)Nc2nc(Br)ccc2[O-])cnc1Br ZINC000788591313 1077214937 /nfs/dbraw/zinc/21/49/37/1077214937.db2.gz PEQBSGGJCZEIIB-UHFFFAOYSA-N -1 1 403.030 2.968 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(O)(C(C)C)C3)c2)cc1 ZINC000788617159 1077229257 /nfs/dbraw/zinc/22/92/57/1077229257.db2.gz RLLKVTVRQYQFNW-UHFFFAOYSA-N -1 1 418.515 2.729 20 0 HFADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1[O-] ZINC000790947278 1077251410 /nfs/dbraw/zinc/25/14/10/1077251410.db2.gz OGMQNWJJUMDBJT-HXUWFJFHSA-N -1 1 408.458 2.981 20 0 HFADMM O=C(NC1CCOCC1)c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cc1 ZINC000788751479 1077276265 /nfs/dbraw/zinc/27/62/65/1077276265.db2.gz ZKZXPHPPOZSGHV-UHFFFAOYSA-N -1 1 414.483 2.771 20 0 HFADMM O=C(Nc1ccncc1)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788747319 1077288458 /nfs/dbraw/zinc/28/84/58/1077288458.db2.gz IJFLWPVPRSJEPT-UHFFFAOYSA-N -1 1 407.451 2.931 20 0 HFADMM COCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788747523 1077288506 /nfs/dbraw/zinc/28/85/06/1077288506.db2.gz DAZRWOFGKFMFOA-UHFFFAOYSA-N -1 1 422.890 2.891 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)n[n-]1 ZINC000791167720 1077323918 /nfs/dbraw/zinc/32/39/18/1077323918.db2.gz JCQSWBMLPHXOOV-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)[n-]1 ZINC000791167720 1077323925 /nfs/dbraw/zinc/32/39/25/1077323925.db2.gz JCQSWBMLPHXOOV-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)n1 ZINC000791167720 1077323932 /nfs/dbraw/zinc/32/39/32/1077323932.db2.gz JCQSWBMLPHXOOV-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788874884 1077326428 /nfs/dbraw/zinc/32/64/28/1077326428.db2.gz ACHIYAQYSHKQCM-LJQANCHMSA-N -1 1 412.467 2.605 20 0 HFADMM O=C(c1cc(F)ccc1[O-])N1CCn2c(nnc2-c2cncc(Br)c2)C1 ZINC000791183619 1077330893 /nfs/dbraw/zinc/33/08/93/1077330893.db2.gz ZGRSLUQZPLVJJN-UHFFFAOYSA-N -1 1 418.226 2.603 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OCCN3CCCC3=O)cc2)c1C ZINC000791227507 1077335970 /nfs/dbraw/zinc/33/59/70/1077335970.db2.gz VZXZFBMDKQMYLW-UHFFFAOYSA-N -1 1 416.499 2.883 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n[n-]1 ZINC000791282305 1077369243 /nfs/dbraw/zinc/36/92/43/1077369243.db2.gz FTRABBSQLLQXPH-IZPAUZPXSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]1 ZINC000791282305 1077369249 /nfs/dbraw/zinc/36/92/49/1077369249.db2.gz FTRABBSQLLQXPH-IZPAUZPXSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000791282305 1077369255 /nfs/dbraw/zinc/36/92/55/1077369255.db2.gz FTRABBSQLLQXPH-IZPAUZPXSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@H]3CC[C@@H](SC)C3)c2)n1 ZINC000789043589 1077392628 /nfs/dbraw/zinc/39/26/28/1077392628.db2.gz GHHGAACLTYQGGP-LSDHHAIUSA-N -1 1 403.508 2.732 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)o1 ZINC000772782790 1077562098 /nfs/dbraw/zinc/56/20/98/1077562098.db2.gz ZOPHSBWLKYWERR-UHFFFAOYSA-N -1 1 421.475 2.738 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791962418 1077635778 /nfs/dbraw/zinc/63/57/78/1077635778.db2.gz IINIPAQAUSXQTI-IBGZPJMESA-N -1 1 422.485 2.719 20 0 HFADMM CCOC[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000792032226 1077639620 /nfs/dbraw/zinc/63/96/20/1077639620.db2.gz LZVOUKZHJOPODS-CQSZACIVSA-N -1 1 421.471 2.840 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC[C@H]3CNC(=O)C3)c2)c1 ZINC000791999601 1077642332 /nfs/dbraw/zinc/64/23/32/1077642332.db2.gz HACGBIZCULFPCJ-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM CCCn1ncnc1COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000789700680 1077743942 /nfs/dbraw/zinc/74/39/42/1077743942.db2.gz IJUHXQGZKXEBPO-UHFFFAOYSA-N -1 1 400.460 2.846 20 0 HFADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1OC ZINC000789735805 1077771450 /nfs/dbraw/zinc/77/14/50/1077771450.db2.gz ROFAKNDHGFIAMQ-UHFFFAOYSA-N -1 1 412.895 2.998 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3NC(=O)O[C@@H]3C)ccc2C)c1 ZINC000789938474 1077859382 /nfs/dbraw/zinc/85/93/82/1077859382.db2.gz CBHIYZGRJYOAMK-DYVFJYSZSA-N -1 1 403.460 2.540 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3NC(=O)O[C@@H]3C)ccc2C)c1 ZINC000789938473 1077859442 /nfs/dbraw/zinc/85/94/42/1077859442.db2.gz CBHIYZGRJYOAMK-CXAGYDPISA-N -1 1 403.460 2.540 20 0 HFADMM Cc1ccc(-c2noc(-c3ccnc(Nc4[nH]c(=O)nc5[n-]c(=O)[nH]c54)c3)n2)cc1 ZINC001170219229 1077910284 /nfs/dbraw/zinc/91/02/84/1077910284.db2.gz ZLLIIJUFEDWAQP-UHFFFAOYSA-N -1 1 402.374 2.880 20 0 HFADMM Cc1n[nH]nc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000790070414 1077921115 /nfs/dbraw/zinc/92/11/15/1077921115.db2.gz QTRCSQANQCEDQN-UHFFFAOYSA-N -1 1 407.839 2.525 20 0 HFADMM COC(=O)[C@H](CCC(=O)Nc1nc(Cl)ccc1[O-])NC(=O)OCc1ccccc1 ZINC000790051743 1077930841 /nfs/dbraw/zinc/93/08/41/1077930841.db2.gz SUUINBWFMHXGNI-ZDUSSCGKSA-N -1 1 421.837 2.627 20 0 HFADMM COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790062567 1077935632 /nfs/dbraw/zinc/93/56/32/1077935632.db2.gz JNMDIUFBNLWWQK-GFCCVEGCSA-N -1 1 409.895 2.939 20 0 HFADMM CN1CCN(c2ccccc2-c2noc(-c3cc(=O)n(-c4ccccc4)[n-]3)n2)CC1 ZINC001212602086 1077956240 /nfs/dbraw/zinc/95/62/40/1077956240.db2.gz HGLZGQSBACKAIV-UHFFFAOYSA-N -1 1 402.458 2.629 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC[C@@H]3CC(=O)N(C)C3)c2)cc1 ZINC000772748746 1077958895 /nfs/dbraw/zinc/95/88/95/1077958895.db2.gz IVPIAEBZQCWEOZ-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000792825340 1078006107 /nfs/dbraw/zinc/00/61/07/1078006107.db2.gz IGYHAQGTNXEIQF-OAHLLOKOSA-N -1 1 403.504 2.926 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc([S@](C)=O)c2)cc1C(=O)[O-] ZINC000790391202 1078013623 /nfs/dbraw/zinc/01/36/23/1078013623.db2.gz SDDFWYZGNXTWFZ-DEOSSOPVSA-N -1 1 403.865 2.585 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790403833 1078018837 /nfs/dbraw/zinc/01/88/37/1078018837.db2.gz VQHSGWZGYUBOHQ-NHCUHLMSSA-N -1 1 406.486 2.557 20 0 HFADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(N(C)C)c1 ZINC000790410931 1078020403 /nfs/dbraw/zinc/02/04/03/1078020403.db2.gz XBNZIBQHYPNLHV-UHFFFAOYSA-N -1 1 412.851 2.692 20 0 HFADMM CSc1nc(C)c(CCC(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c(=O)[n-]1 ZINC001130604048 1079650154 /nfs/dbraw/zinc/65/01/54/1079650154.db2.gz IUOWOPQLSHZAHZ-UHFFFAOYSA-N -1 1 411.430 2.826 20 0 HFADMM C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806490029 1079740239 /nfs/dbraw/zinc/74/02/39/1079740239.db2.gz LYMJFOUPSVASNA-CVEARBPZSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](CCNC(=O)OC(C)(C)C)C3)ccnc1-2 ZINC000806490848 1079742053 /nfs/dbraw/zinc/74/20/53/1079742053.db2.gz OMVBVNPFJLJKEJ-CQSZACIVSA-N -1 1 402.499 2.501 20 0 HFADMM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806482346 1079767405 /nfs/dbraw/zinc/76/74/05/1079767405.db2.gz XKKVSKIHYCCDOS-CYBMUJFWSA-N -1 1 400.433 2.531 20 0 HFADMM CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482941 1079769004 /nfs/dbraw/zinc/76/90/04/1079769004.db2.gz VAXSIGWKKFAQBO-KKSFZXQISA-N -1 1 421.549 2.810 20 0 HFADMM CSc1nnc(CCCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)n1C1CCCC1 ZINC000806482686 1079769487 /nfs/dbraw/zinc/76/94/87/1079769487.db2.gz SQEPZGVQVMMHOH-UHFFFAOYSA-N -1 1 414.539 2.525 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)ccnc1-2 ZINC000806484021 1079769887 /nfs/dbraw/zinc/76/98/87/1079769887.db2.gz ZRNNCDLVUZIVJE-FQEVSTJZSA-N -1 1 402.499 2.501 20 0 HFADMM C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000806485223 1079771064 /nfs/dbraw/zinc/77/10/64/1079771064.db2.gz WMYWMAHYLPEWRI-FOIQADDNSA-N -1 1 409.490 2.789 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC([C@H]4C(=O)Nc5cc(Cl)ccc54)CC3)ccnc1-2 ZINC000806488154 1079773494 /nfs/dbraw/zinc/77/34/94/1079773494.db2.gz BYHHPZXCVXXAKE-GOSISDBHSA-N -1 1 424.892 2.975 20 0 HFADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000806547764 1079786627 /nfs/dbraw/zinc/78/66/27/1079786627.db2.gz QLBNJDSQPWFTRU-JKSUJKDBSA-N -1 1 417.256 2.905 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCCS1 ZINC001130700579 1079900423 /nfs/dbraw/zinc/90/04/23/1079900423.db2.gz DGAOGRQTIGGANR-UPJWGTAASA-N -1 1 424.485 2.652 20 0 HFADMM Cc1ccccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC001130700584 1079900432 /nfs/dbraw/zinc/90/04/32/1079900432.db2.gz DHBKCXFNHXKTQF-LSDHHAIUSA-N -1 1 414.424 2.988 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCCS1 ZINC001130700580 1079900489 /nfs/dbraw/zinc/90/04/89/1079900489.db2.gz DGAOGRQTIGGANR-XQQFMLRXSA-N -1 1 424.485 2.652 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000747358326 1080055205 /nfs/dbraw/zinc/05/52/05/1080055205.db2.gz GUJBDGCSNJPRNI-UHFFFAOYSA-N -1 1 420.311 2.734 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOc3c(F)ccc(F)c32)o1 ZINC001130766025 1080062349 /nfs/dbraw/zinc/06/23/49/1080062349.db2.gz QEZCFVYZNJFTCJ-UHFFFAOYSA-N -1 1 400.403 2.674 20 0 HFADMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806872413 1080073482 /nfs/dbraw/zinc/07/34/82/1080073482.db2.gz JBAPCAWLEIEDMQ-LLVKDONJSA-N -1 1 405.380 2.519 20 0 HFADMM Cc1ccccc1Oc1ccccc1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806889819 1080086210 /nfs/dbraw/zinc/08/62/10/1080086210.db2.gz KBFZUUMGOCFLJS-UHFFFAOYSA-N -1 1 415.453 2.697 20 0 HFADMM CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806925151 1080094169 /nfs/dbraw/zinc/09/41/69/1080094169.db2.gz COBWCIOYLQFHLU-SFHVURJKSA-N -1 1 409.490 2.583 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000806956045 1080122296 /nfs/dbraw/zinc/12/22/96/1080122296.db2.gz XUHNYGMBZBQQAH-NEPJUHHUSA-N -1 1 419.407 2.608 20 0 HFADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806938249 1080147174 /nfs/dbraw/zinc/14/71/74/1080147174.db2.gz XMWNSQLAWDMSFG-SNVBAGLBSA-N -1 1 418.284 2.733 20 0 HFADMM Cn1c(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC000426751841 1126087220 /nfs/dbraw/zinc/08/72/20/1126087220.db2.gz YLIUUUOPQGPGIT-NSHDSACASA-N -1 1 401.776 2.685 20 0 HFADMM C[C@](NC(=O)Cc1[nH]nc2ccccc21)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649792 939094910 /nfs/dbraw/zinc/09/49/10/939094910.db2.gz XXDQRZLTUWWJPL-GOSISDBHSA-N -1 1 402.248 2.984 20 0 HFADMM COc1ccc([C@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1Br ZINC000797723518 939186155 /nfs/dbraw/zinc/18/61/55/939186155.db2.gz CNWSTBCRLOGSEN-WFASDCNBSA-N -1 1 423.267 2.683 20 0 HFADMM C[C@@](NC(=O)N[C@@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1cccc(Br)c1 ZINC000797726037 939188857 /nfs/dbraw/zinc/18/88/57/939188857.db2.gz YRQOWFXLHNEUQA-DYVFJYSZSA-N -1 1 407.268 2.849 20 0 HFADMM COc1ccc(C(C)=O)cc1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372813 939823055 /nfs/dbraw/zinc/82/30/55/939823055.db2.gz VZVHLINZHFOFLM-XMMPIXPASA-N -1 1 424.497 2.676 20 0 HFADMM CCCOc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(OCc2ccccc2)c1 ZINC000790603433 1078065158 /nfs/dbraw/zinc/06/51/58/1078065158.db2.gz HEBHWNHZNDGVCW-FQEVSTJZSA-N -1 1 423.473 2.781 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000746935096 1078078793 /nfs/dbraw/zinc/07/87/93/1078078793.db2.gz KAFFUGUJKFUCQR-OAHLLOKOSA-N -1 1 402.495 2.707 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2C(=O)OCC2(C)C)cc1 ZINC000793290175 1078119457 /nfs/dbraw/zinc/11/94/57/1078119457.db2.gz AWHJNCFDYMHDAG-QGZVFWFLSA-N -1 1 403.456 2.904 20 0 HFADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1 ZINC000793393663 1078165485 /nfs/dbraw/zinc/16/54/85/1078165485.db2.gz GFNVPOCTVVHOJM-UHFFFAOYSA-N -1 1 410.423 2.578 20 0 HFADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc2[nH]ccc21 ZINC000793442977 1078172677 /nfs/dbraw/zinc/17/26/77/1078172677.db2.gz KCQQUGOCWIRYBS-UHFFFAOYSA-N -1 1 420.418 2.989 20 0 HFADMM CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793468938 1078182613 /nfs/dbraw/zinc/18/26/13/1078182613.db2.gz PHZCQGPYIPJANR-LLVKDONJSA-N -1 1 416.469 2.915 20 0 HFADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000793467604 1078181992 /nfs/dbraw/zinc/18/19/92/1078181992.db2.gz JINAQRMZWXRRPN-GXFFZTMASA-N -1 1 412.330 2.656 20 0 HFADMM CC(C)(C)n1ccnc1SCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793470093 1078182891 /nfs/dbraw/zinc/18/28/91/1078182891.db2.gz VVJJNYUWMCJWHO-LBPRGKRZSA-N -1 1 406.474 2.647 20 0 HFADMM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000772834862 1078233580 /nfs/dbraw/zinc/23/35/80/1078233580.db2.gz WHJMKJKWHOZBNB-SFHVURJKSA-N -1 1 424.906 2.892 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000794127002 1078375698 /nfs/dbraw/zinc/37/56/98/1078375698.db2.gz VDMSBMSFVHNJOL-HNNXBMFYSA-N -1 1 419.286 2.669 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ncccc2Br)c(C)cc1F ZINC000794025844 1078368820 /nfs/dbraw/zinc/36/88/20/1078368820.db2.gz JJPULXHMAOYAIK-UHFFFAOYSA-N -1 1 403.229 2.879 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)C[C@H](C)c3ccc(F)c(Br)c3)nc2n1 ZINC001129408462 1078441415 /nfs/dbraw/zinc/44/14/15/1078441415.db2.gz AKDPGCSPSAAVTF-QMMMGPOBSA-N -1 1 408.231 2.760 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3cccc(OCc4ccccc4)c3)nc2n1 ZINC001129408448 1078441447 /nfs/dbraw/zinc/44/14/47/1078441447.db2.gz ADTIZZVKIYRRRL-UHFFFAOYSA-N -1 1 403.442 2.876 20 0 HFADMM CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4cc(NC(=O)OCC(F)(F)F)ccc4[O-])[C@H]1[C@H]3C2 ZINC000804384506 1078443998 /nfs/dbraw/zinc/44/39/98/1078443998.db2.gz CNUVOMOKXNMHHO-SQNBZCGUSA-N -1 1 414.380 2.998 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3ccccc3OCc3ccccc3)nc2n1 ZINC001129519032 1078531182 /nfs/dbraw/zinc/53/11/82/1078531182.db2.gz DXDCRQNRBAOKKK-QXMHVHEDSA-N -1 1 401.426 2.957 20 0 HFADMM CC(C)(C)n1cccc(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1=O ZINC001129896306 1078590291 /nfs/dbraw/zinc/59/02/91/1078590291.db2.gz MLJNQRQIPYJLEH-CQSZACIVSA-N -1 1 421.419 2.853 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000747215977 1078639092 /nfs/dbraw/zinc/63/90/92/1078639092.db2.gz WTWCZOMNQFRKNU-UHFFFAOYSA-N -1 1 414.531 2.984 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCSc2ccccc2)c(Br)n1C ZINC000804938711 1078763522 /nfs/dbraw/zinc/76/35/22/1078763522.db2.gz UUNKNMZURYEOKW-UHFFFAOYSA-N -1 1 404.355 2.952 20 0 HFADMM CCN(CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1C ZINC000804966297 1078803118 /nfs/dbraw/zinc/80/31/18/1078803118.db2.gz MUVLKMXUTAHZRH-UHFFFAOYSA-N -1 1 415.357 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)c(Br)n1C ZINC000805017611 1078829154 /nfs/dbraw/zinc/82/91/54/1078829154.db2.gz JPWYRAMPURLJHC-NSHDSACASA-N -1 1 402.314 2.545 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)c(Br)n1C ZINC000805027834 1078839349 /nfs/dbraw/zinc/83/93/49/1078839349.db2.gz RWIWAVQYTGNEBN-UHFFFAOYSA-N -1 1 411.325 2.802 20 0 HFADMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(CC)CC ZINC000805028140 1078841531 /nfs/dbraw/zinc/84/15/31/1078841531.db2.gz YRXXFEYULYQNHP-RYUDHWBXSA-N -1 1 408.362 2.753 20 0 HFADMM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805046992 1078860861 /nfs/dbraw/zinc/86/08/61/1078860861.db2.gz YSYBSXGGRNBMNI-UHFFFAOYSA-N -1 1 416.341 2.756 20 0 HFADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccc(OC)c(F)c1 ZINC000805065763 1078875826 /nfs/dbraw/zinc/87/58/26/1078875826.db2.gz ALVJQOMTCOJLIF-MRXNPFEDSA-N -1 1 416.858 2.774 20 0 HFADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccc(OC)c(Cl)c1 ZINC000805065770 1078875846 /nfs/dbraw/zinc/87/58/46/1078875846.db2.gz APJLMMHWXLVUTM-HNNXBMFYSA-N -1 1 419.286 2.898 20 0 HFADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)[C@@H](C)[C@H]1OC ZINC000805053323 1078866878 /nfs/dbraw/zinc/86/68/78/1078866878.db2.gz OHJWSEOLXCOSSK-YUSALJHKSA-N -1 1 408.362 2.609 20 0 HFADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccc(OC)c(F)c1 ZINC000805065760 1078875868 /nfs/dbraw/zinc/87/58/68/1078875868.db2.gz ALVJQOMTCOJLIF-INIZCTEOSA-N -1 1 416.858 2.774 20 0 HFADMM CO[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1Cl ZINC000805037214 1078883784 /nfs/dbraw/zinc/88/37/84/1078883784.db2.gz XAGVCLZSVKTBJB-GFCCVEGCSA-N -1 1 422.732 2.810 20 0 HFADMM CO[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1Cl ZINC000805037215 1078883888 /nfs/dbraw/zinc/88/38/88/1078883888.db2.gz XAGVCLZSVKTBJB-LBPRGKRZSA-N -1 1 422.732 2.810 20 0 HFADMM C[C@H]1CCN(C(=O)NCCc2ccc3c(c2)CCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805114434 1078899745 /nfs/dbraw/zinc/89/97/45/1078899745.db2.gz UCRRBOZDIRJXLZ-DCGLDWPTSA-N -1 1 413.440 2.651 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c(Br)n1C ZINC000805076963 1078907788 /nfs/dbraw/zinc/90/77/88/1078907788.db2.gz DKZQLCXNNYHZMB-LBPRGKRZSA-N -1 1 406.346 2.651 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(Br)n1C ZINC000805137213 1078935194 /nfs/dbraw/zinc/93/51/94/1078935194.db2.gz FHPAPLIJFLLHSN-LBPRGKRZSA-N -1 1 422.732 2.546 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)o1 ZINC000805437134 1079063797 /nfs/dbraw/zinc/06/37/97/1079063797.db2.gz CNROUYJTUQWVSJ-UHFFFAOYSA-N -1 1 417.896 2.867 20 0 HFADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc(C(F)(F)F)cn1 ZINC000805410195 1079071823 /nfs/dbraw/zinc/07/18/23/1079071823.db2.gz ZFMFOCRLWFEXSD-UHFFFAOYSA-N -1 1 408.379 2.573 20 0 HFADMM Cc1ccc(-n2cc([O-])c(C(=O)OCCOc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000805554804 1079140702 /nfs/dbraw/zinc/14/07/02/1079140702.db2.gz LHUONIJUQQPLJQ-UHFFFAOYSA-N -1 1 416.455 2.526 20 0 HFADMM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)c1cn[n-]n1 ZINC000805605466 1079153573 /nfs/dbraw/zinc/15/35/73/1079153573.db2.gz IHSZBWKJMSFXER-UHFFFAOYSA-N -1 1 420.834 2.769 20 0 HFADMM COc1ccccc1N1CC[C@H](N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000805786028 1079253193 /nfs/dbraw/zinc/25/31/93/1079253193.db2.gz QZMJVELRQAQJSD-HPZZRFSDSA-N -1 1 413.440 2.578 20 0 HFADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788626 1079255047 /nfs/dbraw/zinc/25/50/47/1079255047.db2.gz QLOFYXUENWFRDT-RCJHGTSTSA-N -1 1 413.484 2.820 20 0 HFADMM C[C@H]1CCN(CC(=O)N2CCSc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787885 1079255701 /nfs/dbraw/zinc/25/57/01/1079255701.db2.gz AUFQLNBFSAHANG-DCGLDWPTSA-N -1 1 415.481 2.903 20 0 HFADMM COc1ccc(OC)c(CC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806020505 1079394692 /nfs/dbraw/zinc/39/46/92/1079394692.db2.gz URLDMPKUZGLXEQ-UHFFFAOYSA-N -1 1 409.442 2.898 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000806017171 1079392269 /nfs/dbraw/zinc/39/22/69/1079392269.db2.gz ANVZFNZHCMSRSR-MRXNPFEDSA-N -1 1 422.441 2.515 20 0 HFADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806018249 1079393164 /nfs/dbraw/zinc/39/31/64/1079393164.db2.gz CAOOGKBYLRZJLZ-FQEVSTJZSA-N -1 1 418.453 2.616 20 0 HFADMM Cc1ccc(-n2cc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)nn2)cc1 ZINC000806020879 1079394078 /nfs/dbraw/zinc/39/40/78/1079394078.db2.gz XCUJXVNUXPAPAV-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM O=C(Nc1ccc(C(=O)N2CCCC3(C2)OCCO3)c([O-])c1)c1cc(F)cc(F)c1 ZINC000772701187 1076806853 /nfs/dbraw/zinc/80/68/53/1076806853.db2.gz CWOKMNULMLHCIS-UHFFFAOYSA-N -1 1 418.396 2.902 20 0 HFADMM CN1CCN(c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2Br)CC1 ZINC000787668707 1076905515 /nfs/dbraw/zinc/90/55/15/1076905515.db2.gz DXJZDFQGJFCIAX-UHFFFAOYSA-N -1 1 406.280 2.864 20 0 HFADMM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCc2nc[nH]c2C1 ZINC000772705582 1076931838 /nfs/dbraw/zinc/93/18/38/1076931838.db2.gz PGEJYTSFYVXRJV-CQSZACIVSA-N -1 1 411.531 2.642 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)o1 ZINC000787838503 1076959039 /nfs/dbraw/zinc/95/90/39/1076959039.db2.gz WTGNRSUBHQSBET-CYBMUJFWSA-N -1 1 418.874 2.612 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)n[n-]1 ZINC000787904663 1076988375 /nfs/dbraw/zinc/98/83/75/1076988375.db2.gz AOFCTURQONUQKH-UHFFFAOYSA-N -1 1 409.446 2.502 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)n1 ZINC000787904663 1076988376 /nfs/dbraw/zinc/98/83/76/1076988376.db2.gz AOFCTURQONUQKH-UHFFFAOYSA-N -1 1 409.446 2.502 20 0 HFADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)N1CCc2sccc2C1 ZINC000787954870 1077007868 /nfs/dbraw/zinc/00/78/68/1077007868.db2.gz HVMQQOFLRKWYPY-GFCCVEGCSA-N -1 1 415.446 2.909 20 0 HFADMM CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000787996215 1077022723 /nfs/dbraw/zinc/02/27/23/1077022723.db2.gz PEIHNICMTZKNQJ-QGZVFWFLSA-N -1 1 408.462 2.744 20 0 HFADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(C)cc1C ZINC000788066189 1077050822 /nfs/dbraw/zinc/05/08/22/1077050822.db2.gz BQJPGBZCHOOCSC-UHFFFAOYSA-N -1 1 404.444 2.847 20 0 HFADMM O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788147847 1077064767 /nfs/dbraw/zinc/06/47/67/1077064767.db2.gz JOZULFPJPLJWHT-ZDUSSCGKSA-N -1 1 410.290 2.623 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3OCCCO3)cc2)c1 ZINC000788612892 1077227490 /nfs/dbraw/zinc/22/74/90/1077227490.db2.gz SCBCYHYCUOHCDF-UHFFFAOYSA-N -1 1 404.488 2.597 20 0 HFADMM COc1ccc(NC(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000788624281 1077233155 /nfs/dbraw/zinc/23/31/55/1077233155.db2.gz MTAWRHKVIJTBTE-RBUKOAKNSA-N -1 1 421.519 2.946 20 0 HFADMM O=C(c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl)N1CCC[C@H](O)C1 ZINC000791013449 1077270565 /nfs/dbraw/zinc/27/05/65/1077270565.db2.gz ZWTZFWOIARVCHW-AWEZNQCLSA-N -1 1 412.870 2.877 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccnc1-2 ZINC000791161849 1077312857 /nfs/dbraw/zinc/31/28/57/1077312857.db2.gz PBASSGGMXHSGSE-INIZCTEOSA-N -1 1 418.284 2.892 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3ncc(Br)cc3Br)ccnc1-2 ZINC000791165129 1077322717 /nfs/dbraw/zinc/32/27/17/1077322717.db2.gz BNUOOAKEPPNAPC-UHFFFAOYSA-N -1 1 411.057 2.514 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3nc(Br)ccc3Br)ccnc1-2 ZINC000791165939 1077323073 /nfs/dbraw/zinc/32/30/73/1077323073.db2.gz HPWWFHOSIONQOI-UHFFFAOYSA-N -1 1 411.057 2.514 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)n[n-]1 ZINC000791168832 1077324180 /nfs/dbraw/zinc/32/41/80/1077324180.db2.gz SDZGWQYZQQXMDH-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)[n-]1 ZINC000791168832 1077324186 /nfs/dbraw/zinc/32/41/86/1077324186.db2.gz SDZGWQYZQQXMDH-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)n1 ZINC000791168832 1077324190 /nfs/dbraw/zinc/32/41/90/1077324190.db2.gz SDZGWQYZQQXMDH-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccnc2Br)n[n-]1 ZINC000791168754 1077324391 /nfs/dbraw/zinc/32/43/91/1077324391.db2.gz QMYWFFFUIRGDGY-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccnc2Br)[n-]1 ZINC000791168754 1077324397 /nfs/dbraw/zinc/32/43/97/1077324397.db2.gz QMYWFFFUIRGDGY-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccnc2Br)n1 ZINC000791168754 1077324403 /nfs/dbraw/zinc/32/44/03/1077324403.db2.gz QMYWFFFUIRGDGY-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)n[n-]1 ZINC000791168457 1077324877 /nfs/dbraw/zinc/32/48/77/1077324877.db2.gz OLHAYXAYYFBXRI-QGZVFWFLSA-N -1 1 400.479 2.753 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)[n-]1 ZINC000791168457 1077324882 /nfs/dbraw/zinc/32/48/82/1077324882.db2.gz OLHAYXAYYFBXRI-QGZVFWFLSA-N -1 1 400.479 2.753 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCC3)n1 ZINC000791168457 1077324887 /nfs/dbraw/zinc/32/48/87/1077324887.db2.gz OLHAYXAYYFBXRI-QGZVFWFLSA-N -1 1 400.479 2.753 20 0 HFADMM COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c(F)c1 ZINC000788950156 1077359243 /nfs/dbraw/zinc/35/92/43/1077359243.db2.gz 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ZINC000746934348 1078074377 /nfs/dbraw/zinc/07/43/77/1078074377.db2.gz FUJOGSVPEZCVTR-CQSZACIVSA-N -1 1 412.446 2.563 20 0 HFADMM CCc1ccc([C@H](C)NC(=O)COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000746934208 1078075003 /nfs/dbraw/zinc/07/50/03/1078075003.db2.gz AWAUTCDLNDRLPH-AWEZNQCLSA-N -1 1 424.501 2.967 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000746934249 1078075598 /nfs/dbraw/zinc/07/55/98/1078075598.db2.gz CDKARQWNAJZCFN-MRXNPFEDSA-N -1 1 422.485 2.895 20 0 HFADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746935000 1078078412 /nfs/dbraw/zinc/07/84/12/1078078412.db2.gz IKPWNVKBFANFAV-JKSUJKDBSA-N -1 1 402.495 2.707 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000746935122 1078078994 /nfs/dbraw/zinc/07/89/94/1078078994.db2.gz LGPFOETUYVQYIV-PBHICJAKSA-N -1 1 424.501 2.836 20 0 HFADMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000746936144 1078082766 /nfs/dbraw/zinc/08/27/66/1078082766.db2.gz XRIZLHMKGZHZQY-AWEZNQCLSA-N -1 1 424.457 2.757 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000746937308 1078084198 /nfs/dbraw/zinc/08/41/98/1078084198.db2.gz VVFSIUOYNZBXRN-SZNDQCEHSA-N -1 1 416.522 2.811 20 0 HFADMM O=C(NOCc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000746945111 1078135974 /nfs/dbraw/zinc/13/59/74/1078135974.db2.gz CKLXJVHJBHLZHC-UHFFFAOYSA-N -1 1 401.419 2.883 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c(C)cc1F ZINC000793363453 1078148632 /nfs/dbraw/zinc/14/86/32/1078148632.db2.gz LCQUWCFUVJWCHY-UHFFFAOYSA-N -1 1 420.462 2.844 20 0 HFADMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)cc1 ZINC000793368756 1078150564 /nfs/dbraw/zinc/15/05/64/1078150564.db2.gz UXIKZDGFBGMPPR-UHFFFAOYSA-N -1 1 422.459 2.989 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c(C)cc1F ZINC000793353089 1078156465 /nfs/dbraw/zinc/15/64/65/1078156465.db2.gz NSZWKRAYEVELEH-UHFFFAOYSA-N -1 1 406.435 2.614 20 0 HFADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(N4C(=O)CNC4=O)c3C)cc2s1 ZINC000793431666 1078170328 /nfs/dbraw/zinc/17/03/28/1078170328.db2.gz NZBVNJBESJGNHX-UHFFFAOYSA-N -1 1 416.484 2.770 20 0 HFADMM CCOc1cc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000790888346 1078171780 /nfs/dbraw/zinc/17/17/80/1078171780.db2.gz FYIGSKLVPOCXMS-LJQANCHMSA-N -1 1 403.822 2.556 20 0 HFADMM C[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000794319806 1078412393 /nfs/dbraw/zinc/41/23/93/1078412393.db2.gz ZAHSGCFUNVELRE-PIGZYNQJSA-N -1 1 418.368 2.523 20 0 HFADMM COc1cc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccn1 ZINC001170446439 1078438026 /nfs/dbraw/zinc/43/80/26/1078438026.db2.gz FFSDCXKJNHCUTB-UHFFFAOYSA-N -1 1 411.483 2.864 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)CCSc3ccc(Br)cc3)nc2n1 ZINC001129409508 1078442343 /nfs/dbraw/zinc/44/23/43/1078442343.db2.gz UVLHJEGGHPQRQX-UHFFFAOYSA-N -1 1 408.281 2.609 20 0 HFADMM CC[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@H](C)[S@]1=O ZINC000804435213 1078478103 /nfs/dbraw/zinc/47/81/03/1078478103.db2.gz LXNUMEXSFVIRHX-ZZDQHMEBSA-N -1 1 422.425 2.875 20 0 HFADMM CC(C)(C)n1cccc(C(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1=O ZINC001129896305 1078590243 /nfs/dbraw/zinc/59/02/43/1078590243.db2.gz MLJNQRQIPYJLEH-AWEZNQCLSA-N -1 1 421.419 2.853 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000747212305 1078600769 /nfs/dbraw/zinc/60/07/69/1078600769.db2.gz LVNWSEJBOHGYJD-CYBMUJFWSA-N -1 1 410.540 2.932 20 0 HFADMM Cc1cccc(OCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000804870345 1078693460 /nfs/dbraw/zinc/69/34/60/1078693460.db2.gz YVDRYDYVCNZGOB-DZKIICNBSA-N -1 1 401.429 2.861 20 0 HFADMM COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757375 1078701091 /nfs/dbraw/zinc/70/10/91/1078701091.db2.gz FFVJVMAHVQZAGF-UHFFFAOYSA-N -1 1 409.446 2.524 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(Br)n1C ZINC000804939974 1078766406 /nfs/dbraw/zinc/76/64/06/1078766406.db2.gz AANVQAYAOOWHSM-UHFFFAOYSA-N -1 1 408.705 2.502 20 0 HFADMM COc1cccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1OC ZINC000804935791 1078790347 /nfs/dbraw/zinc/79/03/47/1078790347.db2.gz YCMLHIBTOKFOSH-HUBLWGQQSA-N -1 1 417.428 2.691 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2F)c(Br)n1C ZINC000804979932 1078814388 /nfs/dbraw/zinc/81/43/88/1078814388.db2.gz QEPRIYHXMGCFKQ-UHFFFAOYSA-N -1 1 404.305 2.886 20 0 HFADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCCC2 ZINC000805027710 1078839718 /nfs/dbraw/zinc/83/97/18/1078839718.db2.gz PUDKMDNKWNUNLR-OLZOCXBDSA-N -1 1 420.373 2.897 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(Br)n1C ZINC000805005143 1078850638 /nfs/dbraw/zinc/85/06/38/1078850638.db2.gz KDDCPNPRDQPFAC-UHFFFAOYSA-N -1 1 405.343 2.695 20 0 HFADMM COCc1ccccc1CS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000805010722 1078854717 /nfs/dbraw/zinc/85/47/17/1078854717.db2.gz AWOLBVIOOFUEBF-KRWDZBQOSA-N -1 1 403.422 2.703 20 0 HFADMM CCCOc1cccc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805042110 1078859650 /nfs/dbraw/zinc/85/96/50/1078859650.db2.gz LKGUVYXKCHPKFY-UHFFFAOYSA-N -1 1 416.341 2.801 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C(C)C)nc32)c(Br)n1C ZINC000805058327 1078871765 /nfs/dbraw/zinc/87/17/65/1078871765.db2.gz RXGQJXDNACPCQU-GFCCVEGCSA-N -1 1 416.345 2.624 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccccc2-n2cccn2)c(Br)n1C ZINC000805033435 1078880271 /nfs/dbraw/zinc/88/02/71/1078880271.db2.gz CFWPCQIUGXINLU-NSHDSACASA-N -1 1 424.324 2.716 20 0 HFADMM COC(=O)c1ccccc1CC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130087775 1078924264 /nfs/dbraw/zinc/92/42/64/1078924264.db2.gz STOCSKKWEROQKM-HNNXBMFYSA-N -1 1 420.387 2.652 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cnc2cnccc2c1)C(F)(F)F ZINC001130087411 1078924297 /nfs/dbraw/zinc/92/42/97/1078924297.db2.gz PMZUZLUVXMCKAP-OAHLLOKOSA-N -1 1 400.360 2.880 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1ncn(-c2ccccc2)n1)C(F)(F)F ZINC001130086992 1078923075 /nfs/dbraw/zinc/92/30/75/1078923075.db2.gz KSMRWOWBAURDQC-HNNXBMFYSA-N -1 1 415.375 2.517 20 0 HFADMM O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)[N-][C@@H]2CCCC2(F)F)C1 ZINC000805144009 1078942695 /nfs/dbraw/zinc/94/26/95/1078942695.db2.gz SNGVQAMVQBWCHH-HZPDHXFCSA-N -1 1 402.463 2.895 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cnn(C)n3)c2)c1 ZINC000805213254 1078989429 /nfs/dbraw/zinc/98/94/29/1078989429.db2.gz JGSZNTBAARFJHN-UHFFFAOYSA-N -1 1 419.894 2.508 20 0 HFADMM Cc1cc(=O)oc2cc(N(C)C(=O)c3nn(-c4ccc(F)cc4)c([O-])cc3=O)ccc12 ZINC000805346475 1079028299 /nfs/dbraw/zinc/02/82/99/1079028299.db2.gz HINTYJXDBGJZBT-UHFFFAOYSA-N -1 1 421.384 2.565 20 0 HFADMM Cc1ccc(CN(C(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C2CC2)o1 ZINC000805786361 1079253064 /nfs/dbraw/zinc/25/30/64/1079253064.db2.gz WIDGBXRSAZHYHH-YEWDVWPNSA-N -1 1 415.456 2.856 20 0 HFADMM CCn1ncnc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829970 1079300219 /nfs/dbraw/zinc/30/02/19/1079300219.db2.gz SIEVYQHAOCUBHJ-YOEHRIQHSA-N -1 1 411.428 2.691 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccnn3C)c2)cc1 ZINC000747275869 1079329484 /nfs/dbraw/zinc/32/94/84/1079329484.db2.gz HZDQATFLNAXYQX-UHFFFAOYSA-N -1 1 401.444 2.587 20 0 HFADMM CCOC(=O)c1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)nc1C ZINC000806020180 1079394703 /nfs/dbraw/zinc/39/47/03/1079394703.db2.gz PRFVPFQEILZLPB-UHFFFAOYSA-N -1 1 422.441 2.832 20 0 HFADMM Cc1cc(-n2cncn2)ccc1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806016325 1079390697 /nfs/dbraw/zinc/39/06/97/1079390697.db2.gz RKPTYIAGIVQFHI-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM CCOC(=O)c1cnc(C)c(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806017030 1079391892 /nfs/dbraw/zinc/39/18/92/1079391892.db2.gz RBLHXZKJBDCUMH-UHFFFAOYSA-N -1 1 422.441 2.832 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000806018710 1079392540 /nfs/dbraw/zinc/39/25/40/1079392540.db2.gz JJHAZQDPVKSDDJ-UHFFFAOYSA-N -1 1 424.423 2.913 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCNC(=O)c1ccsc1 ZINC000806018354 1079392828 /nfs/dbraw/zinc/39/28/28/1079392828.db2.gz CYTFWNUMNODGQL-UHFFFAOYSA-N -1 1 412.471 2.520 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)Cc1ccc2c(c1)OCCO2 ZINC000806018239 1079392866 /nfs/dbraw/zinc/39/28/66/1079392866.db2.gz RYXWELZJKXKTSK-UHFFFAOYSA-N -1 1 407.426 2.652 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(-n2ccnn2)cc1 ZINC000806019741 1079393398 /nfs/dbraw/zinc/39/33/98/1079393398.db2.gz DUBCDKCTPSEVMQ-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM COC(=O)COc1cccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806019232 1079393838 /nfs/dbraw/zinc/39/38/38/1079393838.db2.gz ROOYEEJCHAMFFL-UHFFFAOYSA-N -1 1 423.425 2.504 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H]3CC(=O)N(C)[C@@H]3C)ccc2C)cc1 ZINC000806069634 1079414071 /nfs/dbraw/zinc/41/40/71/1079414071.db2.gz AHVGIVCQVAJGAA-CRAIPNDOSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@@H]2CC(=O)N(C)[C@@H]2C)c1 ZINC000806076058 1079415239 /nfs/dbraw/zinc/41/52/39/1079415239.db2.gz ROPJATRZORJYNJ-DNVCBOLYSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1nn(C)c2ncc(NC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)cc12 ZINC000806206311 1079493033 /nfs/dbraw/zinc/49/30/33/1079493033.db2.gz IGUYFSIYXIKGRO-CHIMOYNISA-N -1 1 412.416 2.586 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ncccn3)c2)cc1F ZINC000772700365 1076758419 /nfs/dbraw/zinc/75/84/19/1076758419.db2.gz SVNRBLQXYDHYPR-UHFFFAOYSA-N -1 1 400.435 2.655 20 0 HFADMM CCOC(=O)C1=C(CSc2nc(C3CC3)cc(=O)[n-]2)NC(=O)N[C@H]1c1ccco1 ZINC000787486049 1076843239 /nfs/dbraw/zinc/84/32/39/1076843239.db2.gz JNZJVFYCHAJEMG-INIZCTEOSA-N -1 1 416.459 2.616 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000746694386 1076872923 /nfs/dbraw/zinc/87/29/23/1076872923.db2.gz ULYGSOFLYNNIGQ-INIZCTEOSA-N -1 1 422.478 2.922 20 0 HFADMM C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc(Cl)cn1 ZINC000787955764 1077008304 /nfs/dbraw/zinc/00/83/04/1077008304.db2.gz NQTLAQZKKNJVIR-JTQLQIEISA-N -1 1 404.785 2.949 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NOC[C@@H]1CCOC1 ZINC000788117646 1077058405 /nfs/dbraw/zinc/05/84/05/1077058405.db2.gz JGCMXPPIHIJYHB-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM O=C(NOC[C@@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000788120352 1077059331 /nfs/dbraw/zinc/05/93/31/1077059331.db2.gz VSNKAAOIKNQYHV-CYBMUJFWSA-N -1 1 410.879 2.839 20 0 HFADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788150369 1077061394 /nfs/dbraw/zinc/06/13/94/1077061394.db2.gz VQYXMVRLOZYLOP-SKDRFNHKSA-N -1 1 414.354 2.760 20 0 HFADMM CCOc1ccc(-c2nc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)cs2)cc1 ZINC000788147840 1077064737 /nfs/dbraw/zinc/06/47/37/1077064737.db2.gz JIRDGHQQPKSGRW-AWEZNQCLSA-N -1 1 402.505 2.652 20 0 HFADMM Cc1cc(Br)cc2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)oc21 ZINC000788147145 1077065124 /nfs/dbraw/zinc/06/51/24/1077065124.db2.gz HJAAJSDDNQYHKY-LLVKDONJSA-N -1 1 408.281 2.947 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)c1nccn1C ZINC000788202080 1077078541 /nfs/dbraw/zinc/07/85/41/1077078541.db2.gz YGOHQLHKNYAKIW-UHFFFAOYSA-N -1 1 402.451 2.945 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@@H]3CCOC3)c2)cc1 ZINC000788573165 1077209849 /nfs/dbraw/zinc/20/98/49/1077209849.db2.gz XXSMDIOTJBNZJP-OAHLLOKOSA-N -1 1 420.487 2.584 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1ccccc1OC ZINC000788572563 1077210237 /nfs/dbraw/zinc/21/02/37/1077210237.db2.gz VKWUIPZRRLGFMT-DJPFJPOOSA-N -1 1 404.507 2.859 20 0 HFADMM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1Cc1ccc(F)cc1 ZINC000790936050 1077240194 /nfs/dbraw/zinc/24/01/94/1077240194.db2.gz RAHBPOJJMWTSLC-GFCCVEGCSA-N -1 1 418.277 2.607 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccnc1-2 ZINC000791165957 1077323047 /nfs/dbraw/zinc/32/30/47/1077323047.db2.gz SAERYPCEZUJHQQ-MRXNPFEDSA-N -1 1 418.284 2.892 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)ccnc1-2 ZINC000791285225 1077370139 /nfs/dbraw/zinc/37/01/39/1077370139.db2.gz GFIVAOPEZOKTQC-VDGAXYAQSA-N -1 1 403.486 2.754 20 0 HFADMM COc1ccc(Cl)c(COC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)c1 ZINC000791368050 1077394726 /nfs/dbraw/zinc/39/47/26/1077394726.db2.gz PBSZMBQCVTZSAT-UHFFFAOYSA-N -1 1 400.822 2.896 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000791433851 1077406170 /nfs/dbraw/zinc/40/61/70/1077406170.db2.gz ZELJZUWDXXPPQG-UHFFFAOYSA-N -1 1 424.454 2.656 20 0 HFADMM CCOC(=O)C1=C(NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)[N-]c2ccccc2N=C1C ZINC000791457036 1077413828 /nfs/dbraw/zinc/41/38/28/1077413828.db2.gz MBJOQQJDHRACDI-CYBMUJFWSA-N -1 1 424.423 2.980 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000791426105 1077416194 /nfs/dbraw/zinc/41/61/94/1077416194.db2.gz ACLKZSIBWHMAFB-UHFFFAOYSA-N -1 1 406.464 2.516 20 0 HFADMM CCCOc1cc(OC)ccc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000789216635 1077447504 /nfs/dbraw/zinc/44/75/04/1077447504.db2.gz WTQYFNRYWRSBJF-UHFFFAOYSA-N -1 1 401.415 2.606 20 0 HFADMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000789294139 1077502570 /nfs/dbraw/zinc/50/25/70/1077502570.db2.gz JWQKSLAZFCNPIK-OAHLLOKOSA-N -1 1 401.415 2.799 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC[C@H]3CNC(=O)C3)cc2)cc1C ZINC000792001435 1077643365 /nfs/dbraw/zinc/64/33/65/1077643365.db2.gz BFZLUIXOSPEOHA-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM CCCn1ncnc1COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000789700883 1077744031 /nfs/dbraw/zinc/74/40/31/1077744031.db2.gz KFQRLKUONOXIGK-UHFFFAOYSA-N -1 1 418.450 2.985 20 0 HFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000790006484 1077900955 /nfs/dbraw/zinc/90/09/55/1077900955.db2.gz HJMUQOORTOQSPX-KBPBESRZSA-N -1 1 409.412 2.838 20 0 HFADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000790068171 1077920936 /nfs/dbraw/zinc/92/09/36/1077920936.db2.gz FTTYWKYWGNOOOL-UHFFFAOYSA-N -1 1 407.677 2.515 20 0 HFADMM O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1nc(Cl)ccc1[O-] ZINC000790047251 1077928120 /nfs/dbraw/zinc/92/81/20/1077928120.db2.gz ICOKSMSPZFIITL-UHFFFAOYSA-N -1 1 405.863 2.901 20 0 HFADMM C[C@H]1CN(c2ccnc(C(=O)Nc3nc(Br)ccc3[O-])c2)C[C@H](C)O1 ZINC000790047150 1077928224 /nfs/dbraw/zinc/92/82/24/1077928224.db2.gz YCKHOGJTGMOYPN-QWRGUYRKSA-N -1 1 407.268 2.811 20 0 HFADMM C[C@H](C(=O)Nc1nc(Br)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000790046993 1077928458 /nfs/dbraw/zinc/92/84/58/1077928458.db2.gz UGLJHQNQMIJAQR-VIFPVBQESA-N -1 1 400.273 2.991 20 0 HFADMM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)Nc3nc(Cl)ccc3[O-])=NO2)CC1 ZINC000790050742 1077929951 /nfs/dbraw/zinc/92/99/51/1077929951.db2.gz HYWGMBHSBFSHOE-UHFFFAOYSA-N -1 1 410.858 2.925 20 0 HFADMM CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790050504 1077930263 /nfs/dbraw/zinc/93/02/63/1077930263.db2.gz CNAIJIQCUNTLQR-UHFFFAOYSA-N -1 1 405.657 2.859 20 0 HFADMM O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1nc(Cl)ccc1[O-] ZINC000790052569 1077932153 /nfs/dbraw/zinc/93/21/53/1077932153.db2.gz YZNFDWIZDFJCMT-LLVKDONJSA-N -1 1 409.229 2.938 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H]3OC(=O)c4ccccc43)c2)n1 ZINC000790159836 1077961982 /nfs/dbraw/zinc/96/19/82/1077961982.db2.gz MNZGCJFXOISDRR-KRWDZBQOSA-N -1 1 420.425 2.566 20 0 HFADMM Cc1noc(C)c1CCCNC(=O)c1cc(I)ccc1[O-] ZINC000754020115 1077971645 /nfs/dbraw/zinc/97/16/45/1077971645.db2.gz ZAWDPNHCTYVRCK-UHFFFAOYSA-N -1 1 400.216 2.964 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000792701079 1077977917 /nfs/dbraw/zinc/97/79/17/1077977917.db2.gz UEUUMFNCKWJWGN-JTQLQIEISA-N -1 1 405.259 2.748 20 0 HFADMM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000790350872 1078001706 /nfs/dbraw/zinc/00/17/06/1078001706.db2.gz LISROJPZCPDCNR-AWEZNQCLSA-N -1 1 420.462 2.779 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000792834796 1078008661 /nfs/dbraw/zinc/00/86/61/1078008661.db2.gz WMIIGGCMRZBPDG-HNNXBMFYSA-N -1 1 403.504 2.926 20 0 HFADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c(OC)c1 ZINC000790382251 1078010237 /nfs/dbraw/zinc/01/02/37/1078010237.db2.gz QJJDHLURHHOEMM-UHFFFAOYSA-N -1 1 401.824 2.865 20 0 HFADMM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1C ZINC000790390015 1078012600 /nfs/dbraw/zinc/01/26/00/1078012600.db2.gz OIIAMNZXDQHWOT-UHFFFAOYSA-N -1 1 413.835 2.943 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)CN2CCc3ccc(Br)cc3C2)cc1 ZINC000792892690 1078018428 /nfs/dbraw/zinc/01/84/28/1078018428.db2.gz RPCBYSUFPYXMDZ-UHFFFAOYSA-N -1 1 403.276 2.772 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1C(=O)[O-] ZINC000790406903 1078019727 /nfs/dbraw/zinc/01/97/27/1078019727.db2.gz XUCVIOUOORMWSI-RUZDIDTESA-N -1 1 417.892 2.726 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Nc1ccncc1 ZINC000806370841 1079658061 /nfs/dbraw/zinc/65/80/61/1079658061.db2.gz LHKRRZBOZBKEAT-RDJZCZTQSA-N -1 1 422.407 2.928 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806420576 1079663746 /nfs/dbraw/zinc/66/37/46/1079663746.db2.gz OMUWAQMMXMIEKO-YLBFIZSHSA-N -1 1 419.469 2.874 20 0 HFADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCCCN(C)C1=O ZINC001170508090 1079698456 /nfs/dbraw/zinc/69/84/56/1079698456.db2.gz HPMJGICMGGDVPD-CYBMUJFWSA-N -1 1 406.280 2.786 20 0 HFADMM C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806490091 1079739709 /nfs/dbraw/zinc/73/97/09/1079739709.db2.gz AGUNEOJEZVPQBP-JTQLQIEISA-N -1 1 406.259 2.996 20 0 HFADMM C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000806490090 1079739865 /nfs/dbraw/zinc/73/98/65/1079739865.db2.gz AFFRPKOJPKZVKY-CQSZACIVSA-N -1 1 415.457 2.872 20 0 HFADMM COCCN(Cc1cc(Br)cs1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806490443 1079739877 /nfs/dbraw/zinc/73/98/77/1079739877.db2.gz UIWLFOBLJQJEJW-UHFFFAOYSA-N -1 1 424.324 2.846 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4ccc(Br)cc4)C3)ccnc1-2 ZINC000806489568 1079740906 /nfs/dbraw/zinc/74/09/06/1079740906.db2.gz WMFCBUSVOFYEJY-ZDUSSCGKSA-N -1 1 415.295 2.505 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)ccnc1-2 ZINC000806489567 1079740997 /nfs/dbraw/zinc/74/09/97/1079740997.db2.gz WMFCBUSVOFYEJY-CYBMUJFWSA-N -1 1 415.295 2.505 20 0 HFADMM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806491977 1079742630 /nfs/dbraw/zinc/74/26/30/1079742630.db2.gz ZJZAANIZSFKGTR-LJQANCHMSA-N -1 1 414.460 2.921 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)ccnc1-2 ZINC000806492012 1079743042 /nfs/dbraw/zinc/74/30/42/1079743042.db2.gz APPCVARZCWHNMH-NRFANRHFSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)ccnc1-2 ZINC000806491491 1079743563 /nfs/dbraw/zinc/74/35/63/1079743563.db2.gz LOSBOGAGKAJDEP-OAHLLOKOSA-N -1 1 419.272 2.576 20 0 HFADMM CN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000806493432 1079743636 /nfs/dbraw/zinc/74/36/36/1079743636.db2.gz YQMMUUIFJGEZCM-UHFFFAOYSA-N -1 1 402.499 2.641 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)ccnc1-2 ZINC000806493574 1079745102 /nfs/dbraw/zinc/74/51/02/1079745102.db2.gz YUOKFXPQXZGPNS-UHFFFAOYSA-N -1 1 417.391 2.886 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)ccnc1-2 ZINC000806489394 1079774537 /nfs/dbraw/zinc/77/45/37/1079774537.db2.gz ZTCFYQBOSRJERR-UHFFFAOYSA-N -1 1 414.510 2.597 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1F ZINC000806568695 1079828361 /nfs/dbraw/zinc/82/83/61/1079828361.db2.gz XBHYKVBWICARAJ-RHSMWYFYSA-N -1 1 406.479 2.774 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001130700812 1079900498 /nfs/dbraw/zinc/90/04/98/1079900498.db2.gz IECOUDQXPKWKOP-MJBXVCDLSA-N -1 1 418.456 2.947 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cc(F)c(Cl)cc1Cl ZINC000806830564 1080043879 /nfs/dbraw/zinc/04/38/79/1080043879.db2.gz MFCQRBJRHDLTFI-QMMMGPOBSA-N -1 1 410.236 2.604 20 0 HFADMM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806907895 1080113298 /nfs/dbraw/zinc/11/32/98/1080113298.db2.gz XMOJSJZKLYDEBY-SFHVURJKSA-N -1 1 419.510 2.750 20 0 HFADMM Cc1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(O[C@@H](C)CC(C)C)c1 ZINC000806939345 1080147203 /nfs/dbraw/zinc/14/72/03/1080147203.db2.gz LZLPQOWXWJAARS-INIZCTEOSA-N -1 1 423.517 2.719 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](c3cccc(Cl)c3)C3CCCC3)ccnc1-2 ZINC000806945274 1080154390 /nfs/dbraw/zinc/15/43/90/1080154390.db2.gz JRCJVIPRLKLVLF-SFHVURJKSA-N -1 1 411.893 2.981 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)c2ccccc21 ZINC000806981596 1080191657 /nfs/dbraw/zinc/19/16/57/1080191657.db2.gz YYRNGCGNZTUXLP-GFCCVEGCSA-N -1 1 407.861 2.964 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCC[C@H]3CCCc3ccccc3)ccnc1-2 ZINC000807023738 1080217818 /nfs/dbraw/zinc/21/78/18/1080217818.db2.gz CZHHWNVZCVLNAP-SFHVURJKSA-N -1 1 405.502 2.684 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccccc3)[C@@H]3CCCC3(C)C)ccnc1-2 ZINC000807023571 1080217887 /nfs/dbraw/zinc/21/78/87/1080217887.db2.gz QYXQQZZKFKBMPM-LJQANCHMSA-N -1 1 405.502 2.888 20 0 HFADMM C[C@H]1CCN(C(=O)NCC(C)(C)c2ccncc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807061627 1080243129 /nfs/dbraw/zinc/24/31/29/1080243129.db2.gz VRFYCQCCWUNLCN-YDHLFZDLSA-N -1 1 400.445 2.846 20 0 HFADMM COC(=O)c1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)[C@@H](C)C2)cc1 ZINC000747376039 1080360669 /nfs/dbraw/zinc/36/06/69/1080360669.db2.gz UNTDJAXQJHSPRZ-AWEZNQCLSA-N -1 1 412.490 2.752 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccc(OC(F)F)cn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807184435 1080379356 /nfs/dbraw/zinc/37/93/56/1080379356.db2.gz NEHZSWSXFKGZOS-KWBADKCTSA-N -1 1 424.370 2.670 20 0 HFADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000747380529 1080387789 /nfs/dbraw/zinc/38/77/89/1080387789.db2.gz OPLCJZIETKNBCK-GFCCVEGCSA-N -1 1 404.540 2.708 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1CCCC1 ZINC001130902199 1080486790 /nfs/dbraw/zinc/48/67/90/1080486790.db2.gz MDHPMTQHNVYAPH-HIFRSBDPSA-N -1 1 406.445 2.947 20 0 HFADMM C[C@@](NC(=O)Cc1[nH]nc2ccccc21)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649794 939095129 /nfs/dbraw/zinc/09/51/29/939095129.db2.gz XXDQRZLTUWWJPL-SFHVURJKSA-N -1 1 402.248 2.984 20 0 HFADMM C[C@H]1CN(Cc2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1 ZINC000780392039 939114476 /nfs/dbraw/zinc/11/44/76/939114476.db2.gz IJNMQUHYZIDAKV-IRXDYDNUSA-N -1 1 403.523 2.883 20 0 HFADMM CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000790516190 1078048686 /nfs/dbraw/zinc/04/86/86/1078048686.db2.gz ZJHZFQYNLQZMDG-IBGZPJMESA-N -1 1 406.504 2.755 20 0 HFADMM CC[C@@H](OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C(=O)NCc1ccccc1 ZINC000746934631 1078072901 /nfs/dbraw/zinc/07/29/01/1078072901.db2.gz KCNUCQLRNOAEFJ-GOSISDBHSA-N -1 1 410.474 2.623 20 0 HFADMM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793180433 1078095421 /nfs/dbraw/zinc/09/54/21/1078095421.db2.gz SXFUEASRAOOETN-UHFFFAOYSA-N -1 1 410.377 2.918 20 0 HFADMM COC(=O)Cc1ccccc1NC(=O)c1cc(I)ccc1[O-] ZINC000790709540 1078103437 /nfs/dbraw/zinc/10/34/37/1078103437.db2.gz QDGODGJGTXUAMS-UHFFFAOYSA-N -1 1 411.195 2.965 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC[C@@H]3CC(=O)N(C)C3)c2)c1 ZINC000772762103 1078122194 /nfs/dbraw/zinc/12/21/94/1078122194.db2.gz FVJLHRUGSSYLQF-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000793388736 1078163605 /nfs/dbraw/zinc/16/36/05/1078163605.db2.gz PWACFZBSUZZZHC-UHFFFAOYSA-N -1 1 403.391 2.796 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(CCC(=O)OC)c2)c1 ZINC000793430009 1078170066 /nfs/dbraw/zinc/17/00/66/1078170066.db2.gz QHJHNRKBPCAMOM-UHFFFAOYSA-N -1 1 421.471 2.526 20 0 HFADMM COCc1cc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc(C(=O)OC)c1 ZINC000793451765 1078175179 /nfs/dbraw/zinc/17/51/79/1078175179.db2.gz GWNPICZCTFZWAA-UHFFFAOYSA-N -1 1 408.432 2.599 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c(C)cc1F ZINC000793415284 1078176750 /nfs/dbraw/zinc/17/67/50/1078176750.db2.gz JMZVXLOKTBULJP-UHFFFAOYSA-N -1 1 404.423 2.517 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000793464155 1078179950 /nfs/dbraw/zinc/17/99/50/1078179950.db2.gz MIGCSDPFRCWENI-UHFFFAOYSA-N -1 1 403.460 2.505 20 0 HFADMM CCOc1cc(/C=C/C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000793469728 1078182902 /nfs/dbraw/zinc/18/29/02/1078182902.db2.gz QXANYHOUIMHSBC-OWNNVSBGSA-N -1 1 400.397 2.721 20 0 HFADMM CCn1c(=O)c2ccc(C(=O)N[C@H](Cc3nc[nH]n3)c3ccccc3)cc2[n-]c1=S ZINC000793874508 1078330506 /nfs/dbraw/zinc/33/05/06/1078330506.db2.gz LMLFGYYBGNICDA-MRXNPFEDSA-N -1 1 420.498 2.537 20 0 HFADMM CCn1nccc1CN(CCO)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000794055522 1078366895 /nfs/dbraw/zinc/36/68/95/1078366895.db2.gz ZFLXBGZXUHLRSN-UHFFFAOYSA-N -1 1 404.467 2.590 20 0 HFADMM COc1cc(CCNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])ccn1 ZINC001170446544 1078439316 /nfs/dbraw/zinc/43/93/16/1078439316.db2.gz HSUZORWEYJPXTK-UHFFFAOYSA-N -1 1 413.352 2.879 20 0 HFADMM CCN(CC)[C@H](C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1)c1cccc(C(F)(F)F)c1 ZINC001129408591 1078441389 /nfs/dbraw/zinc/44/13/89/1078441389.db2.gz DLXKJLVWQLNYQZ-HNNXBMFYSA-N -1 1 422.411 2.766 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1)OCC(F)(F)F ZINC000804395378 1078452114 /nfs/dbraw/zinc/45/21/14/1078452114.db2.gz QVSMYTLTSKTWSS-HIFRSBDPSA-N -1 1 418.368 2.523 20 0 HFADMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001129895289 1078589848 /nfs/dbraw/zinc/58/98/48/1078589848.db2.gz BJQBSDVHTBLRPA-WBMJQRKESA-N -1 1 422.451 2.852 20 0 HFADMM COCCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cc1 ZINC001129896063 1078590176 /nfs/dbraw/zinc/59/01/76/1078590176.db2.gz JWYXOPXHQPPEBB-MRXNPFEDSA-N -1 1 422.403 2.962 20 0 HFADMM COc1ccc(Cn2cc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)cn2)cc1OC ZINC001129760095 1078703946 /nfs/dbraw/zinc/70/39/46/1078703946.db2.gz WECMNGBLFMMJTM-UHFFFAOYSA-N -1 1 409.446 2.575 20 0 HFADMM COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000804880488 1078705506 /nfs/dbraw/zinc/70/55/06/1078705506.db2.gz LQJNRZOWLFHVKP-ZDUSSCGKSA-N -1 1 412.870 2.670 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(Br)n1C ZINC000804943577 1078770546 /nfs/dbraw/zinc/77/05/46/1078770546.db2.gz LEZZXFLNTVAZLM-UHFFFAOYSA-N -1 1 417.310 2.686 20 0 HFADMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1nc(C)cs1 ZINC000804988151 1078793102 /nfs/dbraw/zinc/79/31/02/1078793102.db2.gz HFVALXYRVDKGHN-SNVBAGLBSA-N -1 1 410.489 2.877 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)c(Br)n1C ZINC000804969872 1078804754 /nfs/dbraw/zinc/80/47/54/1078804754.db2.gz KDPOPSIFYXNFRG-UHFFFAOYSA-N -1 1 402.289 2.988 20 0 HFADMM Cc1ccccc1OCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804974857 1078810381 /nfs/dbraw/zinc/81/03/81/1078810381.db2.gz WATCNYMOLYQDKF-DZKIICNBSA-N -1 1 401.429 2.861 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)c(Br)n1C ZINC000805019372 1078830772 /nfs/dbraw/zinc/83/07/72/1078830772.db2.gz FVSPGKORKYVWMB-UHFFFAOYSA-N -1 1 424.361 2.670 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)c(Br)n1C ZINC000805006821 1078850982 /nfs/dbraw/zinc/85/09/82/1078850982.db2.gz HLSXNKIYTHLHOO-NWDGAFQWSA-N -1 1 408.362 2.611 20 0 HFADMM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000805011245 1078855974 /nfs/dbraw/zinc/85/59/74/1078855974.db2.gz JHWHCTISLZIRHJ-CYBMUJFWSA-N -1 1 414.327 2.829 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001130061114 1078858879 /nfs/dbraw/zinc/85/88/79/1078858879.db2.gz MNIAUQPREHABRH-PKOBYXMFSA-N -1 1 416.566 2.935 20 0 HFADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)[C@H](C)[C@H]1OC ZINC000805053321 1078866840 /nfs/dbraw/zinc/86/68/40/1078866840.db2.gz OHJWSEOLXCOSSK-MVWJERBFSA-N -1 1 408.362 2.609 20 0 HFADMM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805055642 1078868340 /nfs/dbraw/zinc/86/83/40/1078868340.db2.gz ZGANHGKUNHCAQU-RNCFNFMXSA-N -1 1 420.304 2.685 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c(Br)n1C ZINC000805087705 1078916237 /nfs/dbraw/zinc/91/62/37/1078916237.db2.gz POTUYOFCKVTAAQ-NWDGAFQWSA-N -1 1 404.717 2.979 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)F ZINC001130087001 1078923472 /nfs/dbraw/zinc/92/34/72/1078923472.db2.gz KWKKGBQMNPPHGW-QWHCGFSZSA-N -1 1 423.357 2.507 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C1CCN(CC(F)F)CC1)C(F)(F)F ZINC001130087180 1078923521 /nfs/dbraw/zinc/92/35/21/1078923521.db2.gz MPRRZCIPRZICOE-CQSZACIVSA-N -1 1 419.394 2.600 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2nccn2-c2ccccc2)c(Br)n1C ZINC000805127827 1078926968 /nfs/dbraw/zinc/92/69/68/1078926968.db2.gz FNQZXOOMXZHAFA-LLVKDONJSA-N -1 1 424.324 2.716 20 0 HFADMM COC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805168909 1078956905 /nfs/dbraw/zinc/95/69/05/1078956905.db2.gz PJZBXCJOWXQIBS-OTRWWLKZSA-N -1 1 415.456 2.731 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)c3nncn3C)c2)cc1 ZINC000805337022 1079024669 /nfs/dbraw/zinc/02/46/69/1079024669.db2.gz HHZUFGKJXLSKPV-ZDUSSCGKSA-N -1 1 416.459 2.543 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805227255 1079040682 /nfs/dbraw/zinc/04/06/82/1079040682.db2.gz ADUIYPMARCXMDN-RWHKXBQASA-N -1 1 417.472 2.821 20 0 HFADMM CC(C)OC(=O)CC[C@@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805401955 1079041998 /nfs/dbraw/zinc/04/19/98/1079041998.db2.gz RJPFHFKDEZIFBX-XFMPKHEZSA-N -1 1 409.449 2.594 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(SC(=O)N(C)C)c2)co1 ZINC000805439303 1079064613 /nfs/dbraw/zinc/06/46/13/1079064613.db2.gz SOOCABDNUFTPDT-UHFFFAOYSA-N -1 1 417.896 2.867 20 0 HFADMM Cc1ccc(C(=O)O[C@H](C)c2nncn2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000805539755 1079130007 /nfs/dbraw/zinc/13/00/07/1079130007.db2.gz AWNVRKFURYLPRG-CYBMUJFWSA-N -1 1 418.450 2.981 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)c3nncn3C)c2)cc1 ZINC000805539970 1079130084 /nfs/dbraw/zinc/13/00/84/1079130084.db2.gz DPPUNCUNHFTNAI-CQSZACIVSA-N -1 1 400.460 2.842 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@H](C)c3nncn3C)c2)cc1F ZINC000805540590 1079130519 /nfs/dbraw/zinc/13/05/19/1079130519.db2.gz USFZVMNKCTTYSL-CYBMUJFWSA-N -1 1 418.450 2.981 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nncn2C)cc1 ZINC000805541944 1079131720 /nfs/dbraw/zinc/13/17/20/1079131720.db2.gz ADQITTSOPZKXHQ-CQSZACIVSA-N -1 1 400.460 2.842 20 0 HFADMM Cc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(C(=O)N2CCSCC2)c1 ZINC000747262457 1079203000 /nfs/dbraw/zinc/20/30/00/1079203000.db2.gz VBHGKYLFSUWKRL-UHFFFAOYSA-N -1 1 409.533 2.798 20 0 HFADMM Cc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(C(=O)N2CCSCC2)c1 ZINC000747262457 1079203005 /nfs/dbraw/zinc/20/30/05/1079203005.db2.gz VBHGKYLFSUWKRL-UHFFFAOYSA-N -1 1 409.533 2.798 20 0 HFADMM C[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788980 1079256111 /nfs/dbraw/zinc/25/61/11/1079256111.db2.gz SLPJKZHLPOWZSI-MPGHIAIKSA-N -1 1 411.468 2.612 20 0 HFADMM Cc1sc(=O)n(CCC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1C ZINC000806016178 1079390667 /nfs/dbraw/zinc/39/06/67/1079390667.db2.gz OGKACHCTXVVKNH-UHFFFAOYSA-N -1 1 414.487 2.569 20 0 HFADMM Cc1cc2ncc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)c(C)n2n1 ZINC000806016240 1079390930 /nfs/dbraw/zinc/39/09/30/1079390930.db2.gz AAEWIBAQRMAFFY-UHFFFAOYSA-N -1 1 404.430 2.612 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCc1nc(C(C)(C)C)no1 ZINC000806017074 1079392073 /nfs/dbraw/zinc/39/20/73/1079392073.db2.gz SJWFOECDMCPJCK-UHFFFAOYSA-N -1 1 411.462 2.952 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000806018228 1079392701 /nfs/dbraw/zinc/39/27/01/1079392701.db2.gz RXZTZURNQCIUEG-GOSISDBHSA-N -1 1 418.453 2.508 20 0 HFADMM CNC(=O)c1cccc(CCC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806018441 1079392798 /nfs/dbraw/zinc/39/27/98/1079392798.db2.gz DXOTYTHLPDOAMW-UHFFFAOYSA-N -1 1 420.469 2.631 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ncn(-c2ccccc2)n1 ZINC000806019359 1079393749 /nfs/dbraw/zinc/39/37/49/1079393749.db2.gz VEFBXYXQYLJVCS-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM O=C([N-]S(=O)(=O)c1cc(Br)cs1)c1[nH]nc2c1CCCCC2 ZINC000806098755 1079427833 /nfs/dbraw/zinc/42/78/33/1079427833.db2.gz JRHGKGSPYMFXCV-UHFFFAOYSA-N -1 1 404.311 2.621 20 0 HFADMM CC(=O)Nc1cccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000806163508 1079474236 /nfs/dbraw/zinc/47/42/36/1079474236.db2.gz RIQOKZKCSZSQPI-PGUXBMHVSA-N -1 1 400.401 2.954 20 0 HFADMM Cc1ccc([C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)N2CCCC2)o1 ZINC000746688657 1076858236 /nfs/dbraw/zinc/85/82/36/1076858236.db2.gz JENDIAFMZRBIQF-KRWDZBQOSA-N -1 1 412.515 2.540 20 0 HFADMM CCOC(=O)N=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2s1 ZINC000746694870 1076861633 /nfs/dbraw/zinc/86/16/33/1076861633.db2.gz LPOYNYDAXGILMO-UHFFFAOYSA-N -1 1 420.472 2.764 20 0 HFADMM C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC000746693136 1076871361 /nfs/dbraw/zinc/87/13/61/1076871361.db2.gz LUJLRSWISXRGQC-CJNGLKHVSA-N -1 1 413.927 2.677 20 0 HFADMM CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000787752943 1076927761 /nfs/dbraw/zinc/92/77/61/1076927761.db2.gz WUKBWMYQQKGWEA-HXUWFJFHSA-N -1 1 401.551 2.956 20 0 HFADMM CN(Cc1ncnn1CC(F)F)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000787858892 1076983846 /nfs/dbraw/zinc/98/38/46/1076983846.db2.gz VHHJENKTVPAOJQ-UHFFFAOYSA-N -1 1 411.409 2.868 20 0 HFADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)NC(=O)Nc1ccccc1 ZINC000787955083 1077007888 /nfs/dbraw/zinc/00/78/88/1077007888.db2.gz JFSYCXLCBIKJTO-GFCCVEGCSA-N -1 1 412.377 2.611 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@H]3CCOC3)c2)cc1F ZINC000788122499 1077059668 /nfs/dbraw/zinc/05/96/68/1077059668.db2.gz NMCLACSVEICBMT-AWEZNQCLSA-N -1 1 408.451 2.633 20 0 HFADMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)NOC[C@H]1CCOC1 ZINC000788125590 1077060201 /nfs/dbraw/zinc/06/02/01/1077060201.db2.gz ICOXXLZMSSVXTN-KRWDZBQOSA-N -1 1 419.503 2.597 20 0 HFADMM O=C(CCSc1ccc(Br)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788146567 1077064515 /nfs/dbraw/zinc/06/45/15/1077064515.db2.gz DDDAHCCSODFWNM-GFCCVEGCSA-N -1 1 414.354 2.761 20 0 HFADMM O=C(NOC[C@@H]1CCOC1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000788115743 1077066566 /nfs/dbraw/zinc/06/65/66/1077066566.db2.gz JYFKCZCIQKUONQ-CYBMUJFWSA-N -1 1 410.879 2.839 20 0 HFADMM COc1ccc(NC(=O)c2nc(Br)sc2C)cc1[N-]S(C)(=O)=O ZINC000788274838 1077095285 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CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H](C)COc3ccccc3)c2)n1 ZINC000788889455 1077332537 /nfs/dbraw/zinc/33/25/37/1077332537.db2.gz UTNOMAYCDHOFPB-HNNXBMFYSA-N -1 1 423.473 2.915 20 0 HFADMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1nccn1C ZINC000791240692 1077341153 /nfs/dbraw/zinc/34/11/53/1077341153.db2.gz GDWMIRTUFGTCES-UHFFFAOYSA-N -1 1 406.414 2.776 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCSC(C)(C)C)c2)n1 ZINC000788963831 1077365001 /nfs/dbraw/zinc/36/50/01/1077365001.db2.gz HBGNMFIYFVQXQW-UHFFFAOYSA-N -1 1 405.524 2.979 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(Br)n1C ZINC000805083307 1077376390 /nfs/dbraw/zinc/37/63/90/1077376390.db2.gz SFVSYFBFONCYSR-UHFFFAOYSA-N -1 1 416.194 2.526 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cnccn3)cc2)cc1 ZINC000791642227 1077506252 /nfs/dbraw/zinc/50/62/52/1077506252.db2.gz GNXVIHDBTPLCOW-UHFFFAOYSA-N -1 1 411.439 2.626 20 0 HFADMM CCOC(=O)C1(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCC1 ZINC000791843448 1077581941 /nfs/dbraw/zinc/58/19/41/1077581941.db2.gz PALWHWILPHYREN-UHFFFAOYSA-N -1 1 412.490 2.725 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC[C@@H]3CNC(=O)C3)cc2)ccc1F ZINC000792015356 1077651160 /nfs/dbraw/zinc/65/11/60/1077651160.db2.gz MWNVFZIDBJNYTG-AWEZNQCLSA-N -1 1 420.462 2.618 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)o1 ZINC000789647838 1077718597 /nfs/dbraw/zinc/71/85/97/1077718597.db2.gz BUCQXHFKWRGWCQ-GWCFXTLKSA-N -1 1 413.414 2.871 20 0 HFADMM CCOC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]C)o3)cc2s1 ZINC000746850089 1077746314 /nfs/dbraw/zinc/74/63/14/1077746314.db2.gz FRMBQAHDPDBSAX-UHFFFAOYSA-N -1 1 424.460 2.618 20 0 HFADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000789930468 1077851195 /nfs/dbraw/zinc/85/11/95/1077851195.db2.gz PTBVWWIRQUHXCH-SNVBAGLBSA-N -1 1 401.897 2.602 20 0 HFADMM CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000790043327 1077909449 /nfs/dbraw/zinc/90/94/49/1077909449.db2.gz RBPPNUSOTARIPI-WTKPLQERSA-N -1 1 412.265 2.573 20 0 HFADMM COC(=O)c1nc(Cl)c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c(Cl)c1Cl ZINC001170217787 1077909757 /nfs/dbraw/zinc/90/97/57/1077909757.db2.gz MSDWFTSHURVLBH-UHFFFAOYSA-N -1 1 405.585 2.601 20 0 HFADMM Cc1ccc(S(=O)(=O)Oc2ccccc2Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001170217614 1077909780 /nfs/dbraw/zinc/90/97/80/1077909780.db2.gz DJKJUUPOHCABLA-UHFFFAOYSA-N -1 1 413.415 2.535 20 0 HFADMM CCOC(=O)c1ccc2[nH]c(-c3ccnc(Nc4[n-]c(=O)nc5nc[nH]c54)n3)cc2c1 ZINC001170226545 1077917290 /nfs/dbraw/zinc/91/72/90/1077917290.db2.gz NSJULLYLVCPXDN-UHFFFAOYSA-N -1 1 416.401 2.917 20 0 HFADMM CCOC(=O)c1ccc(-c2cc3c(ncnc3Nc3[n-]c(=O)nc4nc[nH]c43)[nH]2)cc1 ZINC001170226515 1077917350 /nfs/dbraw/zinc/91/73/50/1077917350.db2.gz LWYCHSZUQULQOD-UHFFFAOYSA-N -1 1 416.401 2.869 20 0 HFADMM CCCCS(=O)(=O)Cc1nc(=O)c2c3c(sc2[n-]1)CN(C(=O)OCC)CC3 ZINC000790109706 1077939250 /nfs/dbraw/zinc/93/92/50/1077939250.db2.gz HQMCJSWZWXZOQH-UHFFFAOYSA-N -1 1 413.521 2.626 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccc(OC)c(Cl)n3)c2)n1 ZINC000790160250 1077962675 /nfs/dbraw/zinc/96/26/75/1077962675.db2.gz PCKWSRHAAXALQU-UHFFFAOYSA-N -1 1 415.837 2.635 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)COc3ccc4c(c3)CCC4)c2)n1 ZINC000790160194 1077962684 /nfs/dbraw/zinc/96/26/84/1077962684.db2.gz NFCXCHHPPMRZEB-UHFFFAOYSA-N -1 1 420.469 2.832 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc(=O)c4ccccc4o3)c2)n1 ZINC000790160235 1077962729 /nfs/dbraw/zinc/96/27/29/1077962729.db2.gz OQMQSVXCBNSVFW-UHFFFAOYSA-N -1 1 418.409 2.685 20 0 HFADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000790337319 1078006745 /nfs/dbraw/zinc/00/67/45/1078006745.db2.gz FPEXCGZWZGRBHM-UHFFFAOYSA-N -1 1 401.366 2.758 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000792828777 1078007195 /nfs/dbraw/zinc/00/71/95/1078007195.db2.gz WABMWJNSHWAOQY-HNNXBMFYSA-N -1 1 419.485 2.959 20 0 HFADMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 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/nfs/dbraw/zinc/74/03/07/1079740307.db2.gz HREMHWJYPXVWAE-MRXNPFEDSA-N -1 1 414.510 2.787 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCC3(C)CCN(C(=O)OC(C)(C)C)CC3)ccnc1-2 ZINC000806491281 1079741302 /nfs/dbraw/zinc/74/13/02/1079741302.db2.gz HPRVSJHULGLFOX-UHFFFAOYSA-N -1 1 402.499 2.501 20 0 HFADMM COC(=O)c1oc(CNC(=O)c2ccc(I)c([O-])c2)cc1C ZINC001170509242 1079746795 /nfs/dbraw/zinc/74/67/95/1079746795.db2.gz NJGCBFISSIXNPE-UHFFFAOYSA-N -1 1 415.183 2.615 20 0 HFADMM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806482347 1079767570 /nfs/dbraw/zinc/76/75/70/1079767570.db2.gz XKKVSKIHYCCDOS-ZDUSSCGKSA-N -1 1 400.433 2.531 20 0 HFADMM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483709 1079770448 /nfs/dbraw/zinc/77/04/48/1079770448.db2.gz NREAVVKMDDUQOB-HNNXBMFYSA-N -1 1 401.474 2.633 20 0 HFADMM COC(=O)[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Cc1ccc2ccccc2c1 ZINC000806485947 1079771855 /nfs/dbraw/zinc/77/18/55/1079771855.db2.gz GFAYYJXZYYKTEZ-SFHVURJKSA-N -1 1 417.469 2.648 20 0 HFADMM Cc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc(C(=O)[O-])c1F ZINC000806567823 1079827132 /nfs/dbraw/zinc/82/71/32/1079827132.db2.gz LDTXKOSMCGXBKG-RDTXWAMCSA-N -1 1 406.479 2.774 20 0 HFADMM C[C@H](O)c1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000806651772 1079871181 /nfs/dbraw/zinc/87/11/81/1079871181.db2.gz JEQLPHCWGHMHGG-QCQGSNGOSA-N -1 1 401.429 2.727 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cccs1 ZINC001130700557 1079900059 /nfs/dbraw/zinc/90/00/59/1079900059.db2.gz CZHXHZAMODOBFU-OCCSQVGLSA-N -1 1 420.453 2.670 20 0 HFADMM CCCCO[C@H](C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC001130701242 1079901221 /nfs/dbraw/zinc/90/12/21/1079901221.db2.gz OZYWTVDRPXCQFR-HZSPNIEDSA-N -1 1 424.460 2.571 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@H]2OCCc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806797312 1080016328 /nfs/dbraw/zinc/01/63/28/1080016328.db2.gz KYSFIFMCDJMJEI-CLROSIBMSA-N -1 1 413.440 2.787 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3C[C@H]4CCC(C)(C)c5cccc3c54)ccnc1-2 ZINC000806964419 1080132465 /nfs/dbraw/zinc/13/24/65/1080132465.db2.gz SFLCIBRYNAFSER-ACJLOTCBSA-N -1 1 403.486 2.697 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806990331 1080169561 /nfs/dbraw/zinc/16/95/61/1080169561.db2.gz KFNGZPBZHLWEIF-XQLPTFJDSA-N -1 1 405.461 2.965 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806994999 1080173938 /nfs/dbraw/zinc/17/39/38/1080173938.db2.gz BZSIVYKYMFICLR-JEJJNBGPSA-N -1 1 423.501 2.528 20 0 HFADMM CC(C)c1ccc(CC2CCN(C(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)cc1 ZINC000806980807 1080189722 /nfs/dbraw/zinc/18/97/22/1080189722.db2.gz DAMZAAXSJPNZDE-UHFFFAOYSA-N -1 1 419.529 2.885 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3ccc(COCc4ccccc4)cc3)ccnc1-2 ZINC000807016641 1080213020 /nfs/dbraw/zinc/21/30/20/1080213020.db2.gz WNWDKUMWANOWBN-UHFFFAOYSA-N -1 1 415.453 2.636 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000747373874 1080264198 /nfs/dbraw/zinc/26/41/98/1080264198.db2.gz BFHYZXKIHHUCQU-UHFFFAOYSA-N -1 1 421.295 2.536 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747373048 1080285284 /nfs/dbraw/zinc/28/52/84/1080285284.db2.gz SJRAMTSDKBEYKY-WCQYABFASA-N -1 1 410.540 2.978 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000747379997 1080384080 /nfs/dbraw/zinc/38/40/80/1080384080.db2.gz JPUFFLYDJNCGEQ-UHFFFAOYSA-N -1 1 410.540 2.932 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000747397759 1080598939 /nfs/dbraw/zinc/59/89/39/1080598939.db2.gz WNCZCRFGCQOBNH-UHFFFAOYSA-N -1 1 403.914 2.795 20 0 HFADMM CSc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000807492644 1080684373 /nfs/dbraw/zinc/68/43/73/1080684373.db2.gz GYUKRNYJIQUQCT-MJVIPROJSA-N -1 1 417.453 2.651 20 0 HFADMM Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc[n-]c5nc(=S)sc4-5)CCN3C2)c1 ZINC001164906831 721550019 /nfs/dbraw/zinc/55/00/19/721550019.db2.gz LMVYHNBDPIWHCS-TZMCWYRMSA-N -1 1 403.508 2.856 20 0 HFADMM Cc1cccc(N2CCN(CCCNC(=O)NC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC000780393983 939114927 /nfs/dbraw/zinc/11/49/27/939114927.db2.gz DOLCPYFUDZGZKU-UHFFFAOYSA-N -1 1 402.539 2.594 20 0 HFADMM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505071 939129440 /nfs/dbraw/zinc/12/94/40/939129440.db2.gz CSYYXFFKGKNITL-YWZLYKJASA-N -1 1 414.481 2.764 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@@H]3CC(=O)N(C)C3)cc2)cc1C ZINC000772757090 1078060082 /nfs/dbraw/zinc/06/00/82/1078060082.db2.gz FWSBKFRCLDHZCH-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM O=C([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnc[nH]2)cc1 ZINC000793147473 1078090094 /nfs/dbraw/zinc/09/00/94/1078090094.db2.gz NYZAFFLREYBWNL-UHFFFAOYSA-N -1 1 414.340 2.748 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c(C)cc1Br ZINC000793155575 1078092210 /nfs/dbraw/zinc/09/22/10/1078092210.db2.gz HURAHZOSRJEXDB-UHFFFAOYSA-N -1 1 408.277 2.832 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)c(C)cc1F ZINC000793358775 1078146819 /nfs/dbraw/zinc/14/68/19/1078146819.db2.gz QKOKQQWVVVBUON-UHFFFAOYSA-N -1 1 418.450 2.919 20 0 HFADMM COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1F ZINC000793379400 1078154381 /nfs/dbraw/zinc/15/43/81/1078154381.db2.gz ATNZEUGOLQNTCD-UHFFFAOYSA-N -1 1 415.414 2.886 20 0 HFADMM CC(C)Cc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000790819052 1078154558 /nfs/dbraw/zinc/15/45/58/1078154558.db2.gz AVXAUVJFMFVMIT-UHFFFAOYSA-N -1 1 418.515 2.864 20 0 HFADMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1 ZINC000793353110 1078156797 /nfs/dbraw/zinc/15/67/97/1078156797.db2.gz OFAXSYPVOCLFGR-UHFFFAOYSA-N -1 1 415.464 2.515 20 0 HFADMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000793400078 1078167120 /nfs/dbraw/zinc/16/71/20/1078167120.db2.gz HRNCJEZOUQVOLC-UHFFFAOYSA-N -1 1 424.862 2.673 20 0 HFADMM CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793468940 1078182580 /nfs/dbraw/zinc/18/25/80/1078182580.db2.gz PHZCQGPYIPJANR-NSHDSACASA-N -1 1 416.469 2.915 20 0 HFADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc2cccnc21 ZINC000794060617 1078367670 /nfs/dbraw/zinc/36/76/70/1078367670.db2.gz PZLZDKDGZIAIMH-UHFFFAOYSA-N -1 1 410.448 2.587 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)nc2n1 ZINC001129409418 1078442008 /nfs/dbraw/zinc/44/20/08/1078442008.db2.gz RWRMRNPRPILTDZ-UHFFFAOYSA-N -1 1 400.851 2.684 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1)OCC(F)(F)F ZINC000804395379 1078452041 /nfs/dbraw/zinc/45/20/41/1078452041.db2.gz QVSMYTLTSKTWSS-UKRRQHHQSA-N -1 1 418.368 2.523 20 0 HFADMM C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804664791 1078474290 /nfs/dbraw/zinc/47/42/90/1078474290.db2.gz BHKOTXRLKWHZHL-HOCLYGCPSA-N -1 1 417.535 2.881 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 ZINC000747206078 1078507063 /nfs/dbraw/zinc/50/70/63/1078507063.db2.gz IOVPNEAMVBYNBW-CYBMUJFWSA-N -1 1 409.450 2.658 20 0 HFADMM Cc1cc(C)n(CCCC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC001129896663 1078591216 /nfs/dbraw/zinc/59/12/16/1078591216.db2.gz SDCFTTZZAKQJNW-MRXNPFEDSA-N -1 1 408.424 2.917 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)c(Br)n1C ZINC000804968475 1078804393 /nfs/dbraw/zinc/80/43/93/1078804393.db2.gz FLHHVCOEHAPQBR-OAHLLOKOSA-N -1 1 421.320 2.954 20 0 HFADMM Cc1csc([C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C2CC2)n1 ZINC000805016154 1078828154 /nfs/dbraw/zinc/82/81/54/1078828154.db2.gz YXOVNWMKLADSKA-JTQLQIEISA-N -1 1 405.343 2.686 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Cl)c2)c(Br)n1C ZINC000805017617 1078829023 /nfs/dbraw/zinc/82/90/23/1078829023.db2.gz JVJNXUHTRWDRMI-VIFPVBQESA-N -1 1 422.732 2.890 20 0 HFADMM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805048452 1078863023 /nfs/dbraw/zinc/86/30/23/1078863023.db2.gz OPLGDXPPHLIMAF-NSHDSACASA-N -1 1 416.341 2.657 20 0 HFADMM CC[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1c(C)nn(C)c1C ZINC000805161260 1078920890 /nfs/dbraw/zinc/92/08/90/1078920890.db2.gz OIYFEQDWJJMZBT-CFMVVWHZSA-N -1 1 417.476 2.975 20 0 HFADMM C[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)N(C)c1ccccc1 ZINC000805135105 1078931173 /nfs/dbraw/zinc/93/11/73/1078931173.db2.gz GAWBBRMRNSNVAK-IVSAIRAKSA-N -1 1 414.472 2.998 20 0 HFADMM COCC[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccco1 ZINC000805273432 1079004163 /nfs/dbraw/zinc/00/41/63/1079004163.db2.gz OXJFPNPXOOOHNC-ABHRYQDASA-N -1 1 405.417 2.844 20 0 HFADMM COCCOCCOCCOCCNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001170478870 1079010162 /nfs/dbraw/zinc/01/01/62/1079010162.db2.gz CYRRKDKDUGVZIM-HNNXBMFYSA-N -1 1 422.444 2.534 20 0 HFADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)O[C@H](C)c2nncn2C)c1 ZINC000805331354 1079022427 /nfs/dbraw/zinc/02/24/27/1079022427.db2.gz AFRIRRQXEFNWFJ-CYBMUJFWSA-N -1 1 418.450 2.981 20 0 HFADMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1nncn1C ZINC000805335472 1079024776 /nfs/dbraw/zinc/02/47/76/1079024776.db2.gz USBUSNUZFDSMER-LBPRGKRZSA-N -1 1 404.423 2.673 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(-n2cccn2)c1 ZINC000806017801 1079391324 /nfs/dbraw/zinc/39/13/24/1079391324.db2.gz IKDYQEKNDRTIKI-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM CCOC(=O)N1CCC(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)CC1 ZINC000806017835 1079391372 /nfs/dbraw/zinc/39/13/72/1079391372.db2.gz JEPLYZBTLNGELS-UHFFFAOYSA-N -1 1 414.462 2.507 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CNC(=O)CCC1CCCC1 ZINC000806017325 1079391589 /nfs/dbraw/zinc/39/15/89/1079391589.db2.gz XYASWYISRVGCQE-UHFFFAOYSA-N -1 1 412.490 2.725 20 0 HFADMM COC(=O)c1ccccc1CC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806019984 1079393468 /nfs/dbraw/zinc/39/34/68/1079393468.db2.gz OVXDOMZNZZIYAI-UHFFFAOYSA-N -1 1 407.426 2.668 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCNC(=O)c1cccs1 ZINC000806019412 1079393800 /nfs/dbraw/zinc/39/38/00/1079393800.db2.gz WZZDPPXETBTFGC-UHFFFAOYSA-N -1 1 412.471 2.520 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(N2CCCC2)nc1 ZINC000806019236 1079393879 /nfs/dbraw/zinc/39/38/79/1079393879.db2.gz RPHTUVZKACSVPW-UHFFFAOYSA-N -1 1 405.458 2.947 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ncccn3)c2)cc1 ZINC000772700480 1076756416 /nfs/dbraw/zinc/75/64/16/1076756416.db2.gz WOXHXUFVALGOBD-UHFFFAOYSA-N -1 1 412.471 2.606 20 0 HFADMM C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746697332 1076864306 /nfs/dbraw/zinc/86/43/06/1076864306.db2.gz SFKWVAWNHRBMPL-KRWDZBQOSA-N -1 1 422.554 2.808 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000746694387 1076873041 /nfs/dbraw/zinc/87/30/41/1076873041.db2.gz ULYGSOFLYNNIGQ-MRXNPFEDSA-N -1 1 422.478 2.922 20 0 HFADMM O=C(NC[C@H](O)c1ccccc1F)c1cc(I)ccc1[O-] ZINC000746709187 1076956125 /nfs/dbraw/zinc/95/61/25/1076956125.db2.gz AWPSOSZZNONQLB-AWEZNQCLSA-N -1 1 401.175 2.599 20 0 HFADMM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788150368 1077061291 /nfs/dbraw/zinc/06/12/91/1077061291.db2.gz VQYXMVRLOZYLOP-JOYOIKCWSA-N -1 1 414.354 2.760 20 0 HFADMM Cc1c[nH]nc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000788198701 1077077181 /nfs/dbraw/zinc/07/71/81/1077077181.db2.gz IRFNTOKBPOSQFX-UHFFFAOYSA-N -1 1 414.443 2.542 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)c3nccn3C)cc2)cc1 ZINC000788199037 1077077764 /nfs/dbraw/zinc/07/77/64/1077077764.db2.gz DTGZFNICRYCYDE-UHFFFAOYSA-N -1 1 400.460 2.506 20 0 HFADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000788571344 1077209298 /nfs/dbraw/zinc/20/92/98/1077209298.db2.gz PPWUAJCXHHJHFL-NUTKFTJISA-N -1 1 400.397 2.699 20 0 HFADMM Cc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)nc3Cl)C2=O)cc1 ZINC000790938002 1077237092 /nfs/dbraw/zinc/23/70/92/1077237092.db2.gz ZENULBYUSCFBIG-CYBMUJFWSA-N -1 1 414.314 2.776 20 0 HFADMM COc1ccc(-c2nc(CC(=O)N=c3ccnc4n(C)[n-]cc3-4)cs2)cc1OC ZINC000791166704 1077323579 /nfs/dbraw/zinc/32/35/79/1077323579.db2.gz ZKKHGFPATMQKOW-UHFFFAOYSA-N -1 1 409.471 2.664 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)n[n-]1 ZINC000791168738 1077324493 /nfs/dbraw/zinc/32/44/93/1077324493.db2.gz QFIGZFLURMLUMC-GFCCVEGCSA-N -1 1 424.299 2.965 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)[n-]1 ZINC000791168738 1077324500 /nfs/dbraw/zinc/32/45/00/1077324500.db2.gz QFIGZFLURMLUMC-GFCCVEGCSA-N -1 1 424.299 2.965 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(C)nc2Br)n1 ZINC000791168738 1077324507 /nfs/dbraw/zinc/32/45/07/1077324507.db2.gz QFIGZFLURMLUMC-GFCCVEGCSA-N -1 1 424.299 2.965 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)ccnc1-2 ZINC000791169472 1077325462 /nfs/dbraw/zinc/32/54/62/1077325462.db2.gz ZFYICDNQCRMRRK-UHFFFAOYSA-N -1 1 413.437 2.510 20 0 HFADMM O=S(=O)([N-]C1CCN(c2ncccn2)CC1)c1ccc(Cl)c(F)c1Cl ZINC000788882109 1077328916 /nfs/dbraw/zinc/32/89/16/1077328916.db2.gz PDKFNNVDNGBLSP-UHFFFAOYSA-N -1 1 405.282 2.870 20 0 HFADMM CC(C)(O)CONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000791262944 1077351552 /nfs/dbraw/zinc/35/15/52/1077351552.db2.gz QMAFOXSMBFOBNB-UHFFFAOYSA-N -1 1 416.858 2.712 20 0 HFADMM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)Cc3noc4ccccc43)C2=O)c(C)c1 ZINC000788949535 1077358455 /nfs/dbraw/zinc/35/84/55/1077358455.db2.gz OANCUKWLGHLNOG-QGZVFWFLSA-N -1 1 413.499 2.978 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC[C@H]3CNC(=O)C3)ccc2C)c1 ZINC000792012366 1077649421 /nfs/dbraw/zinc/64/94/21/1077649421.db2.gz UZOCWDMXDZWKSN-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3nc(Br)ccc3[O-])C2)c1 ZINC000792476542 1077874982 /nfs/dbraw/zinc/87/49/82/1077874982.db2.gz RDUSPQFTVVDRMM-AWEZNQCLSA-N -1 1 422.235 2.699 20 0 HFADMM C[C@@H](CNC(=O)c1ccc(I)c([O-])c1)NC(=O)OC(C)(C)C ZINC000792513472 1077882287 /nfs/dbraw/zinc/88/22/87/1077882287.db2.gz SSHWFXBGRIXLSG-VIFPVBQESA-N -1 1 420.247 2.640 20 0 HFADMM O=C(C=CC(=O)Nc1nc(Br)ccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC000790042059 1077908969 /nfs/dbraw/zinc/90/89/69/1077908969.db2.gz DTYYOMFYENMCHJ-AATRIKPKSA-N -1 1 402.208 2.559 20 0 HFADMM CC(C)n1ncc2cc(C=CC(=O)Nc3nc(Br)ccc3[O-])c(=O)[nH]c21 ZINC000790043867 1077909906 /nfs/dbraw/zinc/90/99/06/1077909906.db2.gz TXYKITUFMHXCOZ-UTCJRWHESA-N -1 1 418.251 2.821 20 0 HFADMM CCC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)[C@H](O)c1ccccc1 ZINC000792577523 1077915259 /nfs/dbraw/zinc/91/52/59/1077915259.db2.gz AWCAACGALCFXGX-PZJWPPBQSA-N -1 1 406.486 2.701 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cc1C(=O)[O-] ZINC000792586375 1077921715 /nfs/dbraw/zinc/92/17/15/1077921715.db2.gz RNYGTRQDEXFHJQ-CYBMUJFWSA-N -1 1 416.927 2.686 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1 ZINC000790082987 1077926772 /nfs/dbraw/zinc/92/67/72/1077926772.db2.gz MVWPAGBEVYGRRT-HXUWFJFHSA-N -1 1 415.471 2.721 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC[C@H]3CC(=O)N(C)C3)c2)cc1 ZINC000772748745 1077958925 /nfs/dbraw/zinc/95/89/25/1077958925.db2.gz IVPIAEBZQCWEOZ-INIZCTEOSA-N -1 1 416.499 2.739 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H]3CSCCS3)c2)n1 ZINC000790158500 1077961687 /nfs/dbraw/zinc/96/16/87/1077961687.db2.gz OCOQWZWFKVGFIM-AWEZNQCLSA-N -1 1 406.533 2.503 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)n1 ZINC000790159270 1077961964 /nfs/dbraw/zinc/96/19/64/1077961964.db2.gz IJDHKDVIMDISBL-FMIVXFBMSA-N -1 1 406.442 2.987 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000790201684 1077968573 /nfs/dbraw/zinc/96/85/73/1077968573.db2.gz LSIQJQZPXRGWME-AWEZNQCLSA-N -1 1 423.473 2.770 20 0 HFADMM CC1(C)CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)C1 ZINC000790232357 1077981761 /nfs/dbraw/zinc/98/17/61/1077981761.db2.gz VOPCYHWJIGVVJT-INIZCTEOSA-N -1 1 414.531 2.591 20 0 HFADMM CS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2nccs2)cc1C(F)(F)F ZINC000772752787 1077997651 /nfs/dbraw/zinc/99/76/51/1077997651.db2.gz BXDIGASKDHAGSS-UHFFFAOYSA-N -1 1 414.377 2.974 20 0 HFADMM CC(C)N1CC[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1=O ZINC000746902699 1078003283 /nfs/dbraw/zinc/00/32/83/1078003283.db2.gz CUPLSMIUIHEQSS-SFHVURJKSA-N -1 1 402.472 2.654 20 0 HFADMM O=S(=O)([N-]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1cc(Cl)ccc1F ZINC000790333107 1078005454 /nfs/dbraw/zinc/00/54/54/1078005454.db2.gz RFNRMIOPCKWBJM-CQSZACIVSA-N -1 1 410.854 2.886 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000792825338 1078006180 /nfs/dbraw/zinc/00/61/80/1078006180.db2.gz IGYHAQGTNXEIQF-HNNXBMFYSA-N -1 1 403.504 2.926 20 0 HFADMM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@@H](O)c1ccccc1 ZINC000790381983 1078009545 /nfs/dbraw/zinc/00/95/45/1078009545.db2.gz CFKQNFGNUNQFTO-ROUUACIJSA-N -1 1 408.520 2.844 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1C(=O)[O-] ZINC000790383352 1078010550 /nfs/dbraw/zinc/01/05/50/1078010550.db2.gz JGEQGZMHHFOLPP-UHFFFAOYSA-N -1 1 419.242 2.600 20 0 HFADMM COCCCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000806275387 1079538773 /nfs/dbraw/zinc/53/87/73/1079538773.db2.gz DTFKQGHZEJSDMV-HOCLYGCPSA-N -1 1 417.428 2.625 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806305371 1079557819 /nfs/dbraw/zinc/55/78/19/1079557819.db2.gz ZEQKPBGCOXTDPM-MMPTUQATSA-N -1 1 412.412 2.881 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2nc3ccccc3n2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806327171 1079598909 /nfs/dbraw/zinc/59/89/09/1079598909.db2.gz DMTUWDYXARUKSV-MKBNYLNASA-N -1 1 411.428 2.560 20 0 HFADMM C[C@H](COc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806473055 1079703395 /nfs/dbraw/zinc/70/33/95/1079703395.db2.gz SPKVKZMCRQRCRO-FQLMCAECSA-N -1 1 401.429 2.941 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3)ccnc1-2 ZINC000806488536 1079739815 /nfs/dbraw/zinc/73/98/15/1079739815.db2.gz NRGOTCVJNLRTRQ-LBPRGKRZSA-N -1 1 420.395 2.641 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4ccccc4C(F)(F)F)C3)ccnc1-2 ZINC000806489943 1079740327 /nfs/dbraw/zinc/74/03/27/1079740327.db2.gz JAUXQNWFUTUFOQ-LBPRGKRZSA-N -1 1 404.396 2.761 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N(CCn3ccnc3)Cc3cccc(Cl)c3)ccnc1-2 ZINC000806494411 1079744679 /nfs/dbraw/zinc/74/46/79/1079744679.db2.gz GTGITGGHBMYETI-UHFFFAOYSA-N -1 1 409.881 2.926 20 0 HFADMM COc1ccc(C)cc1C1(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)CCOCC1 ZINC000806493610 1079745013 /nfs/dbraw/zinc/74/50/13/1079745013.db2.gz ZRXDFIRGIUKGAR-UHFFFAOYSA-N -1 1 409.490 2.529 20 0 HFADMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806481032 1079766452 /nfs/dbraw/zinc/76/64/52/1079766452.db2.gz GPTMLCUKIYDOEK-UHFFFAOYSA-N -1 1 407.453 2.968 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3C[C@H]3c3ccc(Br)c(F)c3)ccnc1-2 ZINC000806481639 1079767853 /nfs/dbraw/zinc/76/78/53/1079767853.db2.gz HMRHUQMWEVRTKP-ZUZCIYMTSA-N -1 1 404.243 2.921 20 0 HFADMM COC(=O)[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Cc1cccc2ccccc21 ZINC000806484217 1079769875 /nfs/dbraw/zinc/76/98/75/1079769875.db2.gz GKSJZHLEHWXUPB-QGZVFWFLSA-N -1 1 417.469 2.648 20 0 HFADMM COC(=O)c1ccc([C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)C(F)(F)F)cc1 ZINC000806484000 1079769910 /nfs/dbraw/zinc/76/99/10/1079769910.db2.gz ZDDHTQQWPPKJAH-CQSZACIVSA-N -1 1 407.352 2.554 20 0 HFADMM CC[C@H](C(=O)N1CCC(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1)c1ccccc1 ZINC000806485350 1079771005 /nfs/dbraw/zinc/77/10/05/1079771005.db2.gz XFHZRBIDBBKTNQ-SFHVURJKSA-N -1 1 420.517 2.648 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)ccnc1-2 ZINC000806487553 1079774036 /nfs/dbraw/zinc/77/40/36/1079774036.db2.gz HIWYOLXJSIQSPD-IBGZPJMESA-N -1 1 419.407 2.884 20 0 HFADMM Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000806568233 1079826607 /nfs/dbraw/zinc/82/66/07/1079826607.db2.gz QETRLTSOGUTMPC-KDOFPFPSSA-N -1 1 406.479 2.774 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1cccs1 ZINC001130700556 1079900083 /nfs/dbraw/zinc/90/00/83/1079900083.db2.gz CZHXHZAMODOBFU-JSGCOSHPSA-N -1 1 420.453 2.670 20 0 HFADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)[C@@H]1CCCC12OCCO2 ZINC000806746349 1080000578 /nfs/dbraw/zinc/00/05/78/1080000578.db2.gz FTMSLJQOFYKSJQ-SFHVURJKSA-N -1 1 416.499 2.647 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)ccnc1-2 ZINC000806833756 1080045845 /nfs/dbraw/zinc/04/58/45/1080045845.db2.gz KHKWULFRJMRDQJ-UHFFFAOYSA-N -1 1 419.416 2.528 20 0 HFADMM CC(C)Cc1ccc([C@H](NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C(C)C)cc1 ZINC000806832999 1080046779 /nfs/dbraw/zinc/04/67/79/1080046779.db2.gz QATOLNDNWWZTNS-HXUWFJFHSA-N -1 1 407.518 2.992 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)ccnc1-2 ZINC000806852509 1080057290 /nfs/dbraw/zinc/05/72/90/1080057290.db2.gz NIMIUZGEDLWPDZ-INIZCTEOSA-N -1 1 418.284 2.951 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H]3c3ccccc3C(F)(F)F)ccnc1-2 ZINC000806884830 1080081997 /nfs/dbraw/zinc/08/19/97/1080081997.db2.gz WHOZZGHLGPUNCF-MRXNPFEDSA-N -1 1 417.391 2.663 20 0 HFADMM Cc1ccc(CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(O[C@H](C)CC(C)C)c1 ZINC000806939346 1080147183 /nfs/dbraw/zinc/14/71/83/1080147183.db2.gz LZLPQOWXWJAARS-MRXNPFEDSA-N -1 1 423.517 2.719 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCOC3(CCCC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806990330 1080169462 /nfs/dbraw/zinc/16/94/62/1080169462.db2.gz KFNGZPBZHLWEIF-AJNGGQMLSA-N -1 1 405.461 2.965 20 0 HFADMM CC(C)C1(O)CN(C(=O)NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC000806973814 1080184652 /nfs/dbraw/zinc/18/46/52/1080184652.db2.gz WZYWEOFTVSLOHH-UHFFFAOYSA-N -1 1 421.494 2.539 20 0 HFADMM C[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)c2ccccc21 ZINC000806981597 1080191769 /nfs/dbraw/zinc/19/17/69/1080191769.db2.gz YYRNGCGNZTUXLP-LBPRGKRZSA-N -1 1 407.861 2.964 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3Cc4ccccc4C[C@H]3c3ccccc3)ccnc1-2 ZINC000807017649 1080213335 /nfs/dbraw/zinc/21/33/35/1080213335.db2.gz GOIPIQWXPXGHIK-NRFANRHFSA-N -1 1 411.465 2.607 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)ccnc1-2 ZINC000807021832 1080216147 /nfs/dbraw/zinc/21/61/47/1080216147.db2.gz NXMWGMSQOKUSNV-UHFFFAOYSA-N -1 1 413.437 2.521 20 0 HFADMM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C(=O)NN3CC(=O)[N-]C3=O)cc2)cc1 ZINC000807062131 1080244548 /nfs/dbraw/zinc/24/45/48/1080244548.db2.gz NFZQMFYXJPFYCN-UHFFFAOYSA-N -1 1 424.457 2.688 20 0 HFADMM CC(=O)OC(C)(C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000807075754 1080257416 /nfs/dbraw/zinc/25/74/16/1080257416.db2.gz JRCYOMVBPZHKHD-UHFFFAOYSA-N -1 1 408.451 2.584 20 0 HFADMM Cc1ccc(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)o1 ZINC001130902152 1080486845 /nfs/dbraw/zinc/48/68/45/1080486845.db2.gz KVIAODQYNPPLIT-UKRRQHHQSA-N -1 1 418.412 2.510 20 0 HFADMM COc1ccc(Br)c(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000426726192 1126083292 /nfs/dbraw/zinc/08/32/92/1126083292.db2.gz HWNFYDCCLGGNPY-LBPRGKRZSA-N -1 1 422.201 2.916 20 0 HFADMM Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc[n-]c5nc(=S)sc4-5)CCN3C2)c1 ZINC001164906829 721550456 /nfs/dbraw/zinc/55/04/56/721550456.db2.gz LMVYHNBDPIWHCS-OCCSQVGLSA-N -1 1 403.508 2.856 20 0 HFADMM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(-c2nnc[nH]2)c1 ZINC000793120341 1078070177 /nfs/dbraw/zinc/07/01/77/1078070177.db2.gz UGSRTXJGZSYLNB-UHFFFAOYSA-N -1 1 403.272 2.959 20 0 HFADMM Cc1nc(NC(=O)[C@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)sc1C ZINC000746935496 1078077395 /nfs/dbraw/zinc/07/73/95/1078077395.db2.gz LAXJTHSFHAYHCL-LBPRGKRZSA-N -1 1 417.491 2.628 20 0 HFADMM CCOC(=O)C1=C(NC(=O)c2ccnn2CC(F)F)[N-]c2ccccc2N=C1C ZINC000790626887 1078081609 /nfs/dbraw/zinc/08/16/09/1078081609.db2.gz NRYBZSBGQWGYRH-UHFFFAOYSA-N -1 1 403.389 2.871 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)sc1Br ZINC000793165475 1078086276 /nfs/dbraw/zinc/08/62/76/1078086276.db2.gz GLXHYLVPPZFRAC-UHFFFAOYSA-N -1 1 400.279 2.585 20 0 HFADMM COC(=O)Cc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Br)n1 ZINC000790643531 1078091467 /nfs/dbraw/zinc/09/14/67/1078091467.db2.gz YKNHQNPODQRSEP-MDZDMXLPSA-N -1 1 411.277 2.972 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCc3cncn3C)c2)cc1 ZINC000793250549 1078110340 /nfs/dbraw/zinc/11/03/40/1078110340.db2.gz PNFXTYFXMWSHCO-UHFFFAOYSA-N -1 1 415.471 2.629 20 0 HFADMM CC1(C)COC(=O)[C@H]1OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000793294030 1078120339 /nfs/dbraw/zinc/12/03/39/1078120339.db2.gz BUGLGFHQWXMMBS-MRXNPFEDSA-N -1 1 407.419 2.735 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnc[nH]3)c2)cc1Cl ZINC000793301756 1078122655 /nfs/dbraw/zinc/12/26/55/1078122655.db2.gz AANCKMUEEUMJMQ-UHFFFAOYSA-N -1 1 406.851 2.561 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NOCc3cccnc3)c2)cc1 ZINC000746945410 1078129850 /nfs/dbraw/zinc/12/98/50/1078129850.db2.gz PLWMNNNSKZKSQK-UHFFFAOYSA-N -1 1 413.455 2.753 20 0 HFADMM C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC000793346039 1078131868 /nfs/dbraw/zinc/13/18/68/1078131868.db2.gz QBFRHKJOGLSLPD-LLVKDONJSA-N -1 1 404.891 2.672 20 0 HFADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c(C)c1 ZINC000793368448 1078150723 /nfs/dbraw/zinc/15/07/23/1078150723.db2.gz ZPOUQPJHRLETJW-UHFFFAOYSA-N -1 1 408.451 2.780 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)c1 ZINC000793408922 1078158280 /nfs/dbraw/zinc/15/82/80/1078158280.db2.gz LUZQLSHNXOPXHR-SFHVURJKSA-N -1 1 405.472 2.534 20 0 HFADMM CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793387727 1078163252 /nfs/dbraw/zinc/16/32/52/1078163252.db2.gz GQCRMTJKMPJSKZ-UHFFFAOYSA-N -1 1 402.350 2.870 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCCC(N)=O)c2)c1 ZINC000772838502 1078277870 /nfs/dbraw/zinc/27/78/70/1078277870.db2.gz BEHGVZPSEGDSTL-UHFFFAOYSA-N -1 1 423.922 2.835 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccnc3F)cc2)cc1 ZINC000794004152 1078360586 /nfs/dbraw/zinc/36/05/86/1078360586.db2.gz FMHIAZOFNZOERI-UHFFFAOYSA-N -1 1 415.446 2.960 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)c1 ZINC000794018834 1078362307 /nfs/dbraw/zinc/36/23/07/1078362307.db2.gz IUPKEDJGXVMQNE-UHFFFAOYSA-N -1 1 420.487 2.639 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@]3(C)CCOC3=O)ccc2C)c1 ZINC000794101749 1078372279 /nfs/dbraw/zinc/37/22/79/1078372279.db2.gz WIJNELJNKOFFLW-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM CCCc1c(C(=O)Nc2nc3nc(C)cc(=O)n3[n-]2)nnn1-c1cccc(C(C)C)c1 ZINC001129519407 1078531286 /nfs/dbraw/zinc/53/12/86/1078531286.db2.gz FLKCGWOSXWCRNJ-UHFFFAOYSA-N -1 1 420.477 2.635 20 0 HFADMM O=C(CCCOC1CCOCC1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001129895321 1078589881 /nfs/dbraw/zinc/58/98/81/1078589881.db2.gz CYXCDWSXIVLJGT-HNNXBMFYSA-N -1 1 414.424 2.599 20 0 HFADMM CC[C@@]1(c2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2)CCC(=O)NC1=O ZINC000747212413 1078601680 /nfs/dbraw/zinc/60/16/80/1078601680.db2.gz AYKHOKPIZBPCCM-QFIPXVFZSA-N -1 1 410.474 2.951 20 0 HFADMM Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747199992 1078638695 /nfs/dbraw/zinc/63/86/95/1078638695.db2.gz MEWCUTQBEJDFSN-UHFFFAOYSA-N -1 1 407.458 2.670 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCO[C@@H](C)c2ccccc2)c(Br)n1C ZINC000804941399 1078767566 /nfs/dbraw/zinc/76/75/66/1078767566.db2.gz UNTAVWIPLJGLPQ-LBPRGKRZSA-N -1 1 416.341 2.937 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)c(=O)[n-]1 ZINC000804924086 1078780726 /nfs/dbraw/zinc/78/07/26/1078780726.db2.gz KCCCVTWNLRUSAZ-CQSZACIVSA-N -1 1 410.540 2.661 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804980378 1078816239 /nfs/dbraw/zinc/81/62/39/1078816239.db2.gz UVYUEEZXQWDWSN-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)c(Br)n1C ZINC000805018012 1078828400 /nfs/dbraw/zinc/82/84/00/1078828400.db2.gz VZAOURHODSWRNU-VIFPVBQESA-N -1 1 422.732 2.890 20 0 HFADMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n1 ZINC000805020201 1078832030 /nfs/dbraw/zinc/83/20/30/1078832030.db2.gz MDJAJVABUVGEGZ-VIFPVBQESA-N -1 1 412.830 2.972 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](c2cccnc2)C(C)C)c(Br)n1C ZINC000805030236 1078843356 /nfs/dbraw/zinc/84/33/56/1078843356.db2.gz WDOVHXNJGNARAB-ZDUSSCGKSA-N -1 1 401.330 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c(Br)n1C ZINC000805030733 1078843365 /nfs/dbraw/zinc/84/33/65/1078843365.db2.gz LHFDGRRCBFTKJZ-IMSIIYSGSA-N -1 1 414.325 2.723 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c(Br)n1C ZINC000805030735 1078843428 /nfs/dbraw/zinc/84/34/28/1078843428.db2.gz LHFDGRRCBFTKJZ-RULNRJAQSA-N -1 1 414.325 2.723 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC(C)(C)c2cccc(F)c2)c(Br)n1C ZINC000805007681 1078851986 /nfs/dbraw/zinc/85/19/86/1078851986.db2.gz WXQJEYXYZMIQGN-UHFFFAOYSA-N -1 1 404.305 2.886 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(Br)n1C ZINC000805040800 1078857722 /nfs/dbraw/zinc/85/77/22/1078857722.db2.gz YWWOJVJJXFAVLX-GFCCVEGCSA-N -1 1 406.346 2.651 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001130061112 1078858807 /nfs/dbraw/zinc/85/88/07/1078858807.db2.gz MNIAUQPREHABRH-IEBWSBKVSA-N -1 1 416.566 2.935 20 0 HFADMM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805053820 1078866339 /nfs/dbraw/zinc/86/63/39/1078866339.db2.gz FDEWGQGZXQPUCB-UONOGXRCSA-N -1 1 414.325 2.724 20 0 HFADMM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805055645 1078868303 /nfs/dbraw/zinc/86/83/03/1078868303.db2.gz ZGANHGKUNHCAQU-ZANVPECISA-N -1 1 420.304 2.685 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c(Br)n1C ZINC000805036088 1078883096 /nfs/dbraw/zinc/88/30/96/1078883096.db2.gz ZLCVMLSOTZSNCF-SNVBAGLBSA-N -1 1 406.689 2.556 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cnc2cnccc2c1)C(F)(F)F ZINC001130087410 1078923888 /nfs/dbraw/zinc/92/38/88/1078923888.db2.gz PMZUZLUVXMCKAP-HNNXBMFYSA-N -1 1 400.360 2.880 20 0 HFADMM CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805149583 1078946116 /nfs/dbraw/zinc/94/61/16/1078946116.db2.gz JQKHSBBYDHQVKV-YDHLFZDLSA-N -1 1 403.449 2.526 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805152098 1078946930 /nfs/dbraw/zinc/94/69/30/1078946930.db2.gz JKHPSYHEPLXBRV-GXYBRJDSSA-N -1 1 405.461 2.677 20 0 HFADMM C[C@H](CCc1cccn1C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805155638 1078950007 /nfs/dbraw/zinc/95/00/07/1078950007.db2.gz MOJSJVHWAOSSLV-FQLMCAECSA-N -1 1 402.461 2.833 20 0 HFADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805172020 1078957676 /nfs/dbraw/zinc/95/76/76/1078957676.db2.gz KBDFKWSASPSYRI-QXKUPLGCSA-N -1 1 407.477 2.925 20 0 HFADMM Cc1cccc2[nH]c(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)nc21 ZINC000805245254 1078982371 /nfs/dbraw/zinc/98/23/71/1078982371.db2.gz IYJUVJLYLQDRBS-HUBLWGQQSA-N -1 1 411.428 2.858 20 0 HFADMM C[C@H]1CCN(C(=O)NCC[C@](C)(O)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805317854 1079017222 /nfs/dbraw/zinc/01/72/22/1079017222.db2.gz YNGCFZHMHUPWLY-PWDMQXDWSA-N -1 1 415.456 2.771 20 0 HFADMM CC(C)[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccnn1C ZINC000805329792 1079021482 /nfs/dbraw/zinc/02/14/82/1079021482.db2.gz CLTHHCAVKGHEOL-YXWQFLTLSA-N -1 1 417.476 2.647 20 0 HFADMM O=C(OCCOC1CCC1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000805543004 1079132111 /nfs/dbraw/zinc/13/21/11/1079132111.db2.gz WYSHBBQKJDGEMG-UHFFFAOYSA-N -1 1 419.455 2.942 20 0 HFADMM COC(=O)c1ccc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)c(S(C)(=O)=O)c1 ZINC001130250520 1079139487 /nfs/dbraw/zinc/13/94/87/1079139487.db2.gz XVDFBNLHXSETKH-UHFFFAOYSA-N -1 1 414.386 2.932 20 0 HFADMM O=C(COC(=O)c1cn[n-]n1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000805604455 1079151344 /nfs/dbraw/zinc/15/13/44/1079151344.db2.gz JSXXRIVZKDPKOL-HNNXBMFYSA-N -1 1 405.370 2.679 20 0 HFADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(Br)cc1Br ZINC000805603535 1079151375 /nfs/dbraw/zinc/15/13/75/1079151375.db2.gz PTCTZUCZBIDHGK-ZCFIWIBFSA-N -1 1 418.045 2.514 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCc3ccnn3C)ccc2C)cc1 ZINC000747266062 1079219310 /nfs/dbraw/zinc/21/93/10/1079219310.db2.gz QHEDSAGXDXDDHS-UHFFFAOYSA-N -1 1 415.471 2.895 20 0 HFADMM Cc1cccc(CCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000805758391 1079261175 /nfs/dbraw/zinc/26/11/75/1079261175.db2.gz HUQSTENTTZZJDZ-NOLJZWGESA-N -1 1 400.445 2.810 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCCCN1C(=O)C(C)C ZINC000806016037 1079390891 /nfs/dbraw/zinc/39/08/91/1079390891.db2.gz ITIPJFGIOXAZEE-GOSISDBHSA-N -1 1 412.490 2.675 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(-n2cccn2)n1 ZINC000806017149 1079392286 /nfs/dbraw/zinc/39/22/86/1079392286.db2.gz AJKXYABQOLCYSR-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(N2CCOC2=O)c1 ZINC000806019443 1079393854 /nfs/dbraw/zinc/39/38/54/1079393854.db2.gz YBNBNKGWXJENPX-UHFFFAOYSA-N -1 1 420.425 2.909 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccnc(N2CCCCC2)n1 ZINC000806020945 1079394171 /nfs/dbraw/zinc/39/41/71/1079394171.db2.gz YVCLNKSROCNYEO-UHFFFAOYSA-N -1 1 420.473 2.732 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H]3CC(=O)N(C)[C@H]3C)c2)cc1 ZINC000806063829 1079404346 /nfs/dbraw/zinc/40/43/46/1079404346.db2.gz SPDCXTPFAVXJCA-KXBFYZLASA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)ccc2C)cc1 ZINC000806069635 1079414131 /nfs/dbraw/zinc/41/41/31/1079414131.db2.gz AHVGIVCQVAJGAA-MAUKXSAKSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C ZINC000806067733 1079433884 /nfs/dbraw/zinc/43/38/84/1079433884.db2.gz VIEOOUNFCPGJCV-FZKQIMNGSA-N -1 1 420.462 2.711 20 0 HFADMM CSc1nc(C)c(CCC(=O)OCCc2nnc(-c3ccccc3)o2)c(=O)[n-]1 ZINC000806114602 1079443427 /nfs/dbraw/zinc/44/34/27/1079443427.db2.gz IIOXGCXUSBYFKU-UHFFFAOYSA-N -1 1 400.460 2.981 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806207113 1079493000 /nfs/dbraw/zinc/49/30/00/1079493000.db2.gz YPLCCJFPLROGJN-HUBLWGQQSA-N -1 1 410.400 2.577 20 0 HFADMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1nnnn1C ZINC000787563788 1076865761 /nfs/dbraw/zinc/86/57/61/1076865761.db2.gz AOUFXBPEYAFCEK-LLVKDONJSA-N -1 1 421.866 2.582 20 0 HFADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCCOCC(F)F ZINC000787605666 1076875693 /nfs/dbraw/zinc/87/56/93/1076875693.db2.gz MIKCKWDBDJNSLE-UHFFFAOYSA-N -1 1 417.405 2.994 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787804887 1076950973 /nfs/dbraw/zinc/95/09/73/1076950973.db2.gz YMBWVRDOZXTIPX-INIZCTEOSA-N -1 1 418.444 2.813 20 0 HFADMM Cc1ccc(CNC(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1F ZINC000787954397 1077007247 /nfs/dbraw/zinc/00/72/47/1077007247.db2.gz GDLZKNPJDVUXQP-UHFFFAOYSA-N -1 1 401.369 2.638 20 0 HFADMM COc1ccccc1CN(C)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956614 1077008205 /nfs/dbraw/zinc/00/82/05/1077008205.db2.gz UNNGNHKIQPUFNT-UHFFFAOYSA-N -1 1 413.405 2.541 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NOC[C@H]3CCOC3)ccc2C)c1 ZINC000788119092 1077058899 /nfs/dbraw/zinc/05/88/99/1077058899.db2.gz COGKOEPAJYJZIR-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NOC[C@H]2CCOC2)c1 ZINC000788120280 1077059310 /nfs/dbraw/zinc/05/93/10/1077059310.db2.gz WFWYMQOVJATOLM-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NOC[C@H]3CCOC3)ccc2C)cc1 ZINC000788124242 1077060305 /nfs/dbraw/zinc/06/03/05/1077060305.db2.gz WLQTWGGZQFHYMF-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788150366 1077061252 /nfs/dbraw/zinc/06/12/52/1077061252.db2.gz VQYXMVRLOZYLOP-BXKDBHETSA-N -1 1 414.354 2.760 20 0 HFADMM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C(OC)OC ZINC000788199351 1077077692 /nfs/dbraw/zinc/07/76/92/1077077692.db2.gz QWXAYBITMBRAJQ-GOSISDBHSA-N -1 1 406.504 2.923 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=S)NCCc3cccs3)c2)n1 ZINC000788333118 1077104980 /nfs/dbraw/zinc/10/49/80/1077104980.db2.gz NUJSDTUURIUCMQ-UHFFFAOYSA-N -1 1 415.544 2.917 20 0 HFADMM COC(=O)c1c[n-]c(SCCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000788506906 1077185972 /nfs/dbraw/zinc/18/59/72/1077185972.db2.gz ZIFIKMVRWQHFDL-UHFFFAOYSA-N -1 1 405.295 2.525 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000790903359 1077242995 /nfs/dbraw/zinc/24/29/95/1077242995.db2.gz AVMKXXOCEIRRSL-HNNXBMFYSA-N -1 1 400.483 2.886 20 0 HFADMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000788760368 1077278963 /nfs/dbraw/zinc/27/89/63/1077278963.db2.gz HDYKTPNHYYWUAD-UHFFFAOYSA-N -1 1 409.464 2.524 20 0 HFADMM 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1077362284 /nfs/dbraw/zinc/36/22/84/1077362284.db2.gz FZAUVPRNENKLSE-UHFFFAOYSA-N -1 1 411.237 2.831 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n[n-]1 ZINC000791279380 1077368132 /nfs/dbraw/zinc/36/81/32/1077368132.db2.gz CGJLNEMPTVUYRL-HOTGVXAUSA-N -1 1 417.441 2.517 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)[n-]1 ZINC000791279380 1077368137 /nfs/dbraw/zinc/36/81/37/1077368137.db2.gz CGJLNEMPTVUYRL-HOTGVXAUSA-N -1 1 417.441 2.517 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n1 ZINC000791279380 1077368142 /nfs/dbraw/zinc/36/81/42/1077368142.db2.gz CGJLNEMPTVUYRL-HOTGVXAUSA-N -1 1 417.441 2.517 20 0 HFADMM Cc1nc(CC2CC2)oc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000789137609 1077407276 /nfs/dbraw/zinc/40/72/76/1077407276.db2.gz MIKLZFHFLHQRHW-UHFFFAOYSA-N -1 1 408.357 2.650 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@@H]3CC(=O)N(C)C3)cc2)ccc1F ZINC000772776643 1077496452 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CSCC[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000790056422 1077934216 /nfs/dbraw/zinc/93/42/16/1077934216.db2.gz KXGIITBTBCGPLF-LBPRGKRZSA-N -1 1 405.863 2.797 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(F)(F)c3nccs3)c2)n1 ZINC000790160920 1077962258 /nfs/dbraw/zinc/96/22/58/1077962258.db2.gz WEZQWTYSOZZKTL-UHFFFAOYSA-N -1 1 407.402 2.513 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3ccnc(Cl)c3F)c2)n1 ZINC000790160642 1077962548 /nfs/dbraw/zinc/96/25/48/1077962548.db2.gz UXEVAEYPJUHYJN-UHFFFAOYSA-N -1 1 403.801 2.766 20 0 HFADMM CCOC(=O)c1cc2ccccc2cc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000790334899 1078006134 /nfs/dbraw/zinc/00/61/34/1078006134.db2.gz GIPHLUDCDAFPEP-UHFFFAOYSA-N -1 1 402.428 2.770 20 0 HFADMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc21 ZINC000790339265 1078007125 /nfs/dbraw/zinc/00/71/25/1078007125.db2.gz RHRNRLFJUKOXSK-UHFFFAOYSA-N -1 1 415.349 2.891 20 0 HFADMM O=S(=O)([N-]CCc1ccc2c[nH]nc2c1)c1cc(Br)cnc1Cl ZINC000790386681 1078011711 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VMFQGTPYDIMJHJ-CQSZACIVSA-N -1 1 418.450 2.567 20 0 HFADMM C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806490032 1079740388 /nfs/dbraw/zinc/74/03/88/1079740388.db2.gz LYMJFOUPSVASNA-JKSUJKDBSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3cn(-c4ccccc4)nc3-c3ccncc3)ccnc1-2 ZINC000806489536 1079740953 /nfs/dbraw/zinc/74/09/53/1079740953.db2.gz VACMWYKWUCCAOL-UHFFFAOYSA-N -1 1 424.468 2.911 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](CCNC(=O)OC(C)(C)C)C3)ccnc1-2 ZINC000806490847 1079741906 /nfs/dbraw/zinc/74/19/06/1079741906.db2.gz OMVBVNPFJLJKEJ-AWEZNQCLSA-N -1 1 402.499 2.501 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCc4c(Br)ccc(F)c4C3)ccnc1-2 ZINC000806493619 1079745069 /nfs/dbraw/zinc/74/50/69/1079745069.db2.gz ZYTSHYDUURCCCM-UHFFFAOYSA-N -1 1 404.243 2.834 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCOc4c(Br)cccc43)ccnc1-2 ZINC000806493620 1079745198 /nfs/dbraw/zinc/74/51/98/1079745198.db2.gz ZYXQIYZWEZQIGO-AWEZNQCLSA-N -1 1 402.252 2.750 20 0 HFADMM 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CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)c1 ZINC000789111251 1077417692 /nfs/dbraw/zinc/41/76/92/1077417692.db2.gz ZLNRYGPBNRNZAW-LJQANCHMSA-N -1 1 404.484 2.899 20 0 HFADMM Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000789378158 1077546135 /nfs/dbraw/zinc/54/61/35/1077546135.db2.gz FJUBHGMTHCCGTL-UHFFFAOYSA-N -1 1 401.850 2.809 20 0 HFADMM CC(C)N(CCCOC(=O)c1sccc1[N-]S(C)(=O)=O)CC(F)(F)F ZINC000791749081 1077551350 /nfs/dbraw/zinc/55/13/50/1077551350.db2.gz PPUGENYIKUZDHG-UHFFFAOYSA-N -1 1 402.460 2.939 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)OCc1cccc(C(F)F)c1 ZINC000791761723 1077556305 /nfs/dbraw/zinc/55/63/05/1077556305.db2.gz HICAWWZKJLGVBP-UHFFFAOYSA-N -1 1 407.417 2.941 20 0 HFADMM CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1=O ZINC000789722216 1077758339 /nfs/dbraw/zinc/75/83/39/1077758339.db2.gz SVEMJSWACLMCOC-STQMWFEESA-N -1 1 418.387 2.687 20 0 HFADMM CCN(CC(N)=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1Cl ZINC000789919457 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CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3nc(Cl)ccc3F)c2)n1 ZINC000790160942 1077962172 /nfs/dbraw/zinc/96/21/72/1077962172.db2.gz WQXHNSSVALDLOA-UHFFFAOYSA-N -1 1 403.801 2.766 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)N3CCc4ccccc43)c2)n1 ZINC000790160516 1077962447 /nfs/dbraw/zinc/96/24/47/1077962447.db2.gz QUZLWFFHKLIWFJ-HNNXBMFYSA-N -1 1 419.485 2.716 20 0 HFADMM COCCN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)OC(C)(C)C ZINC000790250735 1077977205 /nfs/dbraw/zinc/97/72/05/1077977205.db2.gz ZKBPCXVMGFGULH-UHFFFAOYSA-N -1 1 410.895 2.641 20 0 HFADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000790448412 1078035101 /nfs/dbraw/zinc/03/51/01/1078035101.db2.gz XKVUYMIEHWUROU-DTORHVGOSA-N -1 1 411.343 2.845 20 0 HFADMM C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000790448640 1078035108 /nfs/dbraw/zinc/03/51/08/1078035108.db2.gz ADOMYGMCQOFTPW-PXAZEXFGSA-N -1 1 420.963 2.825 20 0 HFADMM COC(=O)Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 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SGLBLCUEBDKSSG-UHFFFAOYSA-N -1 1 412.442 2.825 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)n[n-]1 ZINC000787905456 1076989200 /nfs/dbraw/zinc/98/92/00/1076989200.db2.gz GTQCSJSZKQVNJN-UHFFFAOYSA-N -1 1 402.414 2.522 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)n1 ZINC000787905456 1076989201 /nfs/dbraw/zinc/98/92/01/1076989201.db2.gz GTQCSJSZKQVNJN-UHFFFAOYSA-N -1 1 402.414 2.522 20 0 HFADMM CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955784 1077008318 /nfs/dbraw/zinc/00/83/18/1077008318.db2.gz OCYCJTFPVKCUAS-LBPRGKRZSA-N -1 1 401.398 2.678 20 0 HFADMM Nc1nc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])nc(Nc2ccccc2)n1 ZINC000787959746 1077009168 /nfs/dbraw/zinc/00/91/68/1077009168.db2.gz VCDGMNSKAVHPJQ-UHFFFAOYSA-N -1 1 421.392 2.585 20 0 HFADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788059203 1077045033 /nfs/dbraw/zinc/04/50/33/1077045033.db2.gz QTYVDJXNCKFJCZ-UHFFFAOYSA-N -1 1 402.669 2.862 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1ccc(OC)cc1 ZINC000788572590 1077210308 /nfs/dbraw/zinc/21/03/08/1077210308.db2.gz VPAYYVNLCYWZFK-NBHGPNQESA-N -1 1 404.507 2.859 20 0 HFADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CCN1Cc1ccc(F)cc1 ZINC000790934828 1077239790 /nfs/dbraw/zinc/23/97/90/1077239790.db2.gz FVGVDJCOAZRZKU-ZDUSSCGKSA-N -1 1 418.277 2.607 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2CCN3C(C)=O)c1 ZINC000788753381 1077276769 /nfs/dbraw/zinc/27/67/69/1077276769.db2.gz KBFKRZUBCBTGHB-UHFFFAOYSA-N -1 1 402.472 2.882 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)OC)c3c2)c1 ZINC000788740606 1077286742 /nfs/dbraw/zinc/28/67/42/1077286742.db2.gz BDGLGDGCGJMPPX-UHFFFAOYSA-N -1 1 417.443 2.635 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)[n-]1 ZINC000791166887 1077322978 /nfs/dbraw/zinc/32/29/78/1077322978.db2.gz CGQGSLJZQHSNPQ-CQSZACIVSA-N -1 1 410.421 2.985 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)n[n-]1 ZINC000791166887 1077322982 /nfs/dbraw/zinc/32/29/82/1077322982.db2.gz CGQGSLJZQHSNPQ-CQSZACIVSA-N -1 1 410.421 2.985 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C(F)(F)c2ccc(OC)cc2)n1 ZINC000791166887 1077322984 /nfs/dbraw/zinc/32/29/84/1077322984.db2.gz CGQGSLJZQHSNPQ-CQSZACIVSA-N -1 1 410.421 2.985 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3CCCN(C(=O)c4cccc5ccccc54)C3)ccnc1-2 ZINC000791168367 1077324777 /nfs/dbraw/zinc/32/47/77/1077324777.db2.gz NUMMJUTUQCUMKD-QGZVFWFLSA-N -1 1 413.481 2.986 20 0 HFADMM O=S(=O)([N-][C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000788902985 1077346374 /nfs/dbraw/zinc/34/63/74/1077346374.db2.gz PBBOLHUMNDLYAR-AAEUAGOBSA-N -1 1 408.278 2.895 20 0 HFADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788910141 1077349814 /nfs/dbraw/zinc/34/98/14/1077349814.db2.gz ACHIYAQYSHKQCM-IBGZPJMESA-N -1 1 412.467 2.605 20 0 HFADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1nnnn1C1CC1 ZINC000791266299 1077352685 /nfs/dbraw/zinc/35/26/85/1077352685.db2.gz NVOJLDVSRPDTJZ-ZDUSSCGKSA-N -1 1 413.459 2.727 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H]3C[C@@H](OC)C3)c2)cc1 ZINC001170093459 1077359510 /nfs/dbraw/zinc/35/95/10/1077359510.db2.gz TYXQJBGSQQZFBD-UJKQEGAGSA-N -1 1 404.488 2.651 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 ZINC000789015102 1077385475 /nfs/dbraw/zinc/38/54/75/1077385475.db2.gz ZWUFTANTVJLPHY-UHFFFAOYSA-N -1 1 416.739 2.876 20 0 HFADMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000791431437 1077405701 /nfs/dbraw/zinc/40/57/01/1077405701.db2.gz GYPGAPXPYCTMLW-UHFFFAOYSA-N -1 1 410.814 2.852 20 0 HFADMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000791432478 1077405717 /nfs/dbraw/zinc/40/57/17/1077405717.db2.gz OWKZQYDBKQWSHK-UHFFFAOYSA-N -1 1 410.814 2.852 20 0 HFADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)c1 ZINC000789111250 1077417648 /nfs/dbraw/zinc/41/76/48/1077417648.db2.gz ZLNRYGPBNRNZAW-IBGZPJMESA-N -1 1 404.484 2.899 20 0 HFADMM CCc1cc2c(COC(=O)C3=C(C)N(C)c4ncnn4[C@H]3C)cc(=O)oc2cc1[O-] ZINC000791471118 1077443270 /nfs/dbraw/zinc/44/32/70/1077443270.db2.gz YCUSNAJQAOZBFL-LBPRGKRZSA-N -1 1 410.430 2.681 20 0 HFADMM Cn1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(-c2ccc(Cl)s2)n1 ZINC000789293635 1077501234 /nfs/dbraw/zinc/50/12/34/1077501234.db2.gz JZWKTVWSOXRHHG-UHFFFAOYSA-N -1 1 403.847 2.915 20 0 HFADMM CCOc1nc(C)ccc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000791657945 1077514762 /nfs/dbraw/zinc/51/47/62/1077514762.db2.gz GIKQERJZUIMKHO-UHFFFAOYSA-N -1 1 408.357 2.504 20 0 HFADMM O=C([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1[nH]nc2c1CCCCC2 ZINC000789384654 1077531220 /nfs/dbraw/zinc/53/12/20/1077531220.db2.gz OYBNGGQRJLFPLF-UHFFFAOYSA-N -1 1 412.309 2.701 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OCC[C@@H]2CNC(=O)C2)c1 ZINC000792017903 1077652662 /nfs/dbraw/zinc/65/26/62/1077652662.db2.gz WXJKEVAWVBAYNP-INIZCTEOSA-N -1 1 416.499 2.787 20 0 HFADMM O=C(OCC1(F)CC1)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000789598333 1077702942 /nfs/dbraw/zinc/70/29/42/1077702942.db2.gz IOXSOXJOFAIEIX-UHFFFAOYSA-N -1 1 405.407 2.728 20 0 HFADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000789786781 1077795728 /nfs/dbraw/zinc/79/57/28/1077795728.db2.gz VEMHDHCDEMPTMV-JTQLQIEISA-N -1 1 416.525 2.930 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000789922580 1077848258 /nfs/dbraw/zinc/84/82/58/1077848258.db2.gz JEKQNTUWLOTJAA-UHFFFAOYSA-N -1 1 421.226 2.806 20 0 HFADMM O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(F)F)cc3)cn2)cc1 ZINC000790006007 1077901263 /nfs/dbraw/zinc/90/12/63/1077901263.db2.gz SWFDOXONBLPHSJ-UHFFFAOYSA-N -1 1 407.398 2.677 20 0 HFADMM CN(C)S(=O)(=O)c1ccc(F)c([N-]C(=O)c2nc(Br)cs2)c1 ZINC000792540530 1077904102 /nfs/dbraw/zinc/90/41/02/1077904102.db2.gz OMEYQJAGIHSATC-UHFFFAOYSA-N -1 1 408.274 2.547 20 0 HFADMM Cc1c(C(=O)Nc2nc(Br)ccc2[O-])sc2nc3n(c(=O)c12)CCC3 ZINC000790046812 1077910506 /nfs/dbraw/zinc/91/05/06/1077910506.db2.gz NXMOVHYKORGOHI-UHFFFAOYSA-N -1 1 421.276 2.828 20 0 HFADMM O=S(=O)([N-]CC1OCCCO1)c1ccc(Br)c(Cl)c1Cl ZINC000790007841 1077910676 /nfs/dbraw/zinc/91/06/76/1077910676.db2.gz OHIAHZRTLZUXHW-UHFFFAOYSA-N -1 1 405.097 2.797 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000790048821 1077928386 /nfs/dbraw/zinc/92/83/86/1077928386.db2.gz WXFBNPSTXCAWCY-SNVBAGLBSA-N -1 1 401.897 2.684 20 0 HFADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(C(Cl)=Cc3cocn3)nc(=O)c12 ZINC000790216062 1077972518 /nfs/dbraw/zinc/97/25/18/1077972518.db2.gz UHZNODAKJQMGHQ-OQFOIZHKSA-N -1 1 409.807 2.624 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000792701081 1077978159 /nfs/dbraw/zinc/97/81/59/1077978159.db2.gz UEUUMFNCKWJWGN-SNVBAGLBSA-N -1 1 405.259 2.748 20 0 HFADMM O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000790339357 1078007114 /nfs/dbraw/zinc/00/71/14/1078007114.db2.gz SITZYTAZYXKKKO-UHFFFAOYSA-N -1 1 417.340 2.702 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(N(C)C(C)=O)c2)cc1C(=O)[O-] ZINC000790393394 1078014076 /nfs/dbraw/zinc/01/40/76/1078014076.db2.gz IIYJYHAQEMBDOL-UHFFFAOYSA-N -1 1 412.851 2.830 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000747327068 1079594192 /nfs/dbraw/zinc/59/41/92/1079594192.db2.gz PYFRPVDYBMJNQO-UHFFFAOYSA-N -1 1 409.446 2.575 20 0 HFADMM Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cn1 ZINC000806488490 1079739089 /nfs/dbraw/zinc/73/90/89/1079739089.db2.gz PGINKCXMLLDVQB-UHFFFAOYSA-N -1 1 409.881 2.963 20 0 HFADMM COc1ccc(Br)cc1CN(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806490175 1079739688 /nfs/dbraw/zinc/73/96/88/1079739688.db2.gz OYISTXMEMZVBRI-UHFFFAOYSA-N -1 1 404.268 2.777 20 0 HFADMM CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806491181 1079741237 /nfs/dbraw/zinc/74/12/37/1079741237.db2.gz DWVWYWVYYOWLEA-INIZCTEOSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)ccnc1-2 ZINC000806490687 1079741925 /nfs/dbraw/zinc/74/19/25/1079741925.db2.gz ZQRPBBOGOCBIAC-INIZCTEOSA-N -1 1 402.499 2.547 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)ccnc1-2 ZINC000806491490 1079743701 /nfs/dbraw/zinc/74/37/01/1079743701.db2.gz LOSBOGAGKAJDEP-HNNXBMFYSA-N -1 1 419.272 2.576 20 0 HFADMM Cc1ccc(I)cc1NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492648 1079744302 /nfs/dbraw/zinc/74/43/02/1079744302.db2.gz KVPZYJPJBWVHSA-UHFFFAOYSA-N -1 1 407.215 2.899 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)ccnc1-2 ZINC000806495696 1079747253 /nfs/dbraw/zinc/74/72/53/1079747253.db2.gz VEOFCZABUGKVBD-UHFFFAOYSA-N -1 1 419.407 2.876 20 0 HFADMM COc1ccc(Oc2cc(CNC(=O)N=c3ccnc4n(C)[n-]cc3-4)ccn2)cc1 ZINC000806481999 1079767813 /nfs/dbraw/zinc/76/78/13/1079767813.db2.gz RXMUQEGSSMEXIY-UHFFFAOYSA-N -1 1 404.430 2.859 20 0 HFADMM CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482685 1079769574 /nfs/dbraw/zinc/76/95/74/1079769574.db2.gz OUKOJOPRWDDWDN-FQEVSTJZSA-N -1 1 404.515 2.793 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CCCCC3)ccnc1-2 ZINC000806486002 1079771891 /nfs/dbraw/zinc/77/18/91/1079771891.db2.gz HWDVINVSQVOHKH-QGZVFWFLSA-N -1 1 416.526 2.937 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487658 1079774124 /nfs/dbraw/zinc/77/41/24/1079774124.db2.gz CEVCCNVNECZANA-OAHLLOKOSA-N -1 1 416.888 2.920 20 0 HFADMM COc1ccccc1[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)NC(=O)OC(C)(C)C ZINC000806517332 1079793432 /nfs/dbraw/zinc/79/34/32/1079793432.db2.gz OITUMYFWEQBZPJ-QGZVFWFLSA-N -1 1 414.458 2.966 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1CC1 ZINC001130701084 1079900918 /nfs/dbraw/zinc/90/09/18/1079900918.db2.gz LVIABZQSEMHCDQ-DZGCQCFKSA-N -1 1 406.445 2.947 20 0 HFADMM Cc1ncc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806822932 1080040574 /nfs/dbraw/zinc/04/05/74/1080040574.db2.gz LBLGDESSTYLVLG-QMMBQJITSA-N -1 1 413.444 2.649 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)ccnc1-2 ZINC000806857162 1080061769 /nfs/dbraw/zinc/06/17/69/1080061769.db2.gz OETHKOGJNHZCAN-LJQANCHMSA-N -1 1 419.872 2.840 20 0 HFADMM CC(C)[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(Cl)cc1F ZINC000806966555 1080135081 /nfs/dbraw/zinc/13/50/81/1080135081.db2.gz KHOSNDOKHXDFQX-MRXNPFEDSA-N -1 1 403.845 2.586 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806937839 1080145623 /nfs/dbraw/zinc/14/56/23/1080145623.db2.gz DEAHFLGXPJOSIB-PRXAMGSTSA-N -1 1 424.423 2.927 20 0 HFADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806938174 1080146534 /nfs/dbraw/zinc/14/65/34/1080146534.db2.gz XMWNSQLAWDMSFG-JTQLQIEISA-N -1 1 418.284 2.733 20 0 HFADMM Cc1cccc(C)c1OC[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(C)(C)C ZINC000806938403 1080146603 /nfs/dbraw/zinc/14/66/03/1080146603.db2.gz YTVLDTAGCUPDJM-GOSISDBHSA-N -1 1 423.517 2.507 20 0 HFADMM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806939374 1080147189 /nfs/dbraw/zinc/14/71/89/1080147189.db2.gz MKPSCHDLTKFRIG-SNVBAGLBSA-N -1 1 418.284 2.733 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccccc3Cl)C3CCCC3)ccnc1-2 ZINC000807008375 1080207940 /nfs/dbraw/zinc/20/79/40/1080207940.db2.gz ZBSZAKPDTNZBMS-UHFFFAOYSA-N -1 1 411.893 2.905 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)ccnc1-2 ZINC000807024509 1080219358 /nfs/dbraw/zinc/21/93/58/1080219358.db2.gz YBCUKVIYBATAOC-MFNRXFTJSA-N -1 1 403.486 2.765 20 0 HFADMM CCOC(=O)C1=C(Nc2ccc(P(=O)([O-])[O-])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522199 1080521970 /nfs/dbraw/zinc/52/19/70/1080521970.db2.gz BVDIZKRNHHEAPI-UHFFFAOYSA-N -1 1 416.414 2.625 20 0 HFADMM C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nc(Cl)ccc2[O-])C1=O ZINC000807368075 1080568412 /nfs/dbraw/zinc/56/84/12/1080568412.db2.gz GIDHSEXTIIKWQS-OAQYLSRUSA-N -1 1 424.844 3.000 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000747400777 1080779247 /nfs/dbraw/zinc/77/92/47/1080779247.db2.gz NOKDHNAWHICIPK-UHFFFAOYSA-N -1 1 402.882 2.752 20 0 HFADMM Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc[n-]c5nc(=S)sc4-5)CCN3C2)c1 ZINC001164906824 721550335 /nfs/dbraw/zinc/55/03/35/721550335.db2.gz LMVYHNBDPIWHCS-GXTWGEPZSA-N -1 1 403.508 2.856 20 0 HFADMM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505050 939129537 /nfs/dbraw/zinc/12/95/37/939129537.db2.gz BZVLQXAGUPGZEZ-HNNXBMFYSA-N -1 1 406.502 2.725 20 0 HFADMM O=C([O-])[C@@]1(NC(=O)c2scnc2Br)CCCN(Cc2ccccc2)C1 ZINC001123372441 939822469 /nfs/dbraw/zinc/82/24/69/939822469.db2.gz UCDZZUKBNSPADL-QGZVFWFLSA-N -1 1 424.320 2.755 20 0 HFADMM CCCCCCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)c(=O)[nH]c1=O ZINC000772826051 1078066272 /nfs/dbraw/zinc/06/62/72/1078066272.db2.gz SQASXNOHPUDURJ-UHFFFAOYSA-N -1 1 419.507 2.525 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000746934203 1078074942 /nfs/dbraw/zinc/07/49/42/1078074942.db2.gz AKYWBXHFIALXDT-LBPRGKRZSA-N -1 1 414.437 2.544 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000746934233 1078075307 /nfs/dbraw/zinc/07/53/07/1078075307.db2.gz AWQHDQZCANQUPE-SUMWQHHRSA-N -1 1 402.495 2.565 20 0 HFADMM CSCCONC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000793101680 1078077359 /nfs/dbraw/zinc/07/73/59/1078077359.db2.gz DEIAPFOGYDQRKC-UHFFFAOYSA-N -1 1 413.496 2.720 20 0 HFADMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000793110891 1078081720 /nfs/dbraw/zinc/08/17/20/1078081720.db2.gz YBOFKLOMMLMORB-UHFFFAOYSA-N -1 1 424.276 2.614 20 0 HFADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793111155 1078082499 /nfs/dbraw/zinc/08/24/99/1078082499.db2.gz ZDFMNCIZFLYPCD-UHFFFAOYSA-N -1 1 421.276 2.661 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnc[nH]3)cc2)c(Br)c1 ZINC000793163662 1078085313 /nfs/dbraw/zinc/08/53/13/1078085313.db2.gz JPXBIPWSANCUOO-UHFFFAOYSA-N -1 1 421.276 2.661 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000746942148 1078108842 /nfs/dbraw/zinc/10/88/42/1078108842.db2.gz IZCRNXZGWUUVDR-QHCPKHFHSA-N -1 1 422.485 2.795 20 0 HFADMM O=C(N[C@H](CCO)c1cccs1)c1cc(I)ccc1[O-] ZINC000790789620 1078135295 /nfs/dbraw/zinc/13/52/95/1078135295.db2.gz YEXLZROILAYXAI-LLVKDONJSA-N -1 1 403.241 2.912 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)cc1OC ZINC000790819776 1078155137 /nfs/dbraw/zinc/15/51/37/1078155137.db2.gz YCFDBZDJGLJVCP-QGZVFWFLSA-N -1 1 418.943 2.673 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c(C)cc1F ZINC000793351309 1078156460 /nfs/dbraw/zinc/15/64/60/1078156460.db2.gz BORJUHGRFPNVHQ-UHFFFAOYSA-N -1 1 410.448 2.766 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2C)c1 ZINC000793431644 1078170292 /nfs/dbraw/zinc/17/02/92/1078170292.db2.gz NTOKUJCOZZYGSK-UHFFFAOYSA-N -1 1 422.459 2.907 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(Br)cc(OC)c2)c1 ZINC000793463624 1078180349 /nfs/dbraw/zinc/18/03/49/1078180349.db2.gz GVLQGMBYCSNUHX-UHFFFAOYSA-N -1 1 415.265 2.977 20 0 HFADMM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000793769826 1078306890 /nfs/dbraw/zinc/30/68/90/1078306890.db2.gz PYJNWUCGDPWJPW-CQSZACIVSA-N -1 1 415.487 2.781 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000794175678 1078380902 /nfs/dbraw/zinc/38/09/02/1078380902.db2.gz HHQUIUURMNZAQL-UHFFFAOYSA-N -1 1 408.524 2.900 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)C[C@@H](C)c3ccc(F)c(Br)c3)nc2n1 ZINC001129408457 1078441403 /nfs/dbraw/zinc/44/14/03/1078441403.db2.gz AKDPGCSPSAAVTF-MRVPVSSYSA-N -1 1 408.231 2.760 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c1)OCC(F)(F)F ZINC000804395377 1078452074 /nfs/dbraw/zinc/45/20/74/1078452074.db2.gz QVSMYTLTSKTWSS-DZGCQCFKSA-N -1 1 418.368 2.523 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC001129820881 1078515749 /nfs/dbraw/zinc/51/57/49/1078515749.db2.gz ZRTAWOJUZVZDJB-GFCCVEGCSA-N -1 1 409.465 2.972 20 0 HFADMM COC(=O)N1CCC(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000804687532 1078548135 /nfs/dbraw/zinc/54/81/35/1078548135.db2.gz BICXCSJTFGACER-UHFFFAOYSA-N -1 1 407.467 2.947 20 0 HFADMM COc1cccc(COCC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001129895295 1078589781 /nfs/dbraw/zinc/58/97/81/1078589781.db2.gz BTYRCTRZAGOIRS-MRXNPFEDSA-N -1 1 422.403 2.848 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2ccnn2)c1)C(F)(F)F ZINC001129896155 1078590193 /nfs/dbraw/zinc/59/01/93/1078590193.db2.gz KZFKJVDCKOWJCJ-MRXNPFEDSA-N -1 1 415.375 2.517 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000747216810 1078659174 /nfs/dbraw/zinc/65/91/74/1078659174.db2.gz YGQZGIJQRYFGHS-UHFFFAOYSA-N -1 1 402.476 2.559 20 0 HFADMM CCC[C@H](NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CCCCC1 ZINC000804618204 1078667115 /nfs/dbraw/zinc/66/71/15/1078667115.db2.gz PXDDLUMSKZFVMJ-INIZCTEOSA-N -1 1 419.488 2.769 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(Br)n1C ZINC000804941514 1078766759 /nfs/dbraw/zinc/76/67/59/1078766759.db2.gz WMUOVRWIXAOERP-UHFFFAOYSA-N -1 1 415.338 2.622 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)c(Br)n1C ZINC000804948146 1078777378 /nfs/dbraw/zinc/77/73/78/1078777378.db2.gz YFUVJPJUTKWQRR-UHFFFAOYSA-N -1 1 402.314 2.757 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCOc2ccccc2C)c(Br)n1C ZINC000804989091 1078793990 /nfs/dbraw/zinc/79/39/90/1078793990.db2.gz ABQXKTXBTFKYBC-UHFFFAOYSA-N -1 1 402.314 2.547 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)c(Br)n1C ZINC000804992589 1078806895 /nfs/dbraw/zinc/80/68/95/1078806895.db2.gz FJTULFNNKZZWLP-HNNXBMFYSA-N -1 1 421.320 2.954 20 0 HFADMM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000804977707 1078812214 /nfs/dbraw/zinc/81/22/14/1078812214.db2.gz XDRNTVMYIZSCDN-UHFFFAOYSA-N -1 1 416.341 2.756 20 0 HFADMM Cc1csc(CCCC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)n1 ZINC000804984301 1078821333 /nfs/dbraw/zinc/82/13/33/1078821333.db2.gz FSJHHQHCMYDSFB-UHFFFAOYSA-N -1 1 407.359 2.557 20 0 HFADMM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000804984262 1078821342 /nfs/dbraw/zinc/82/13/42/1078821342.db2.gz DOUHBBOEQCXQBB-UHFFFAOYSA-N -1 1 411.325 2.802 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c(Br)n1C ZINC000805016709 1078827232 /nfs/dbraw/zinc/82/72/32/1078827232.db2.gz VNXTXHXCNIBOLD-UHFFFAOYSA-N -1 1 411.281 2.625 20 0 HFADMM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n1 ZINC000805020200 1078832160 /nfs/dbraw/zinc/83/21/60/1078832160.db2.gz MDJAJVABUVGEGZ-SECBINFHSA-N -1 1 412.830 2.972 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cccn3)cc2)c(Br)n1C ZINC000805022631 1078833443 /nfs/dbraw/zinc/83/34/43/1078833443.db2.gz YQHSJROOUHKOBJ-LLVKDONJSA-N -1 1 424.324 2.716 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c(Br)n1C ZINC000805030734 1078843319 /nfs/dbraw/zinc/84/33/19/1078843319.db2.gz LHFDGRRCBFTKJZ-RBZYPMLTSA-N -1 1 414.325 2.723 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c(Br)n1C ZINC000805004902 1078849168 /nfs/dbraw/zinc/84/91/68/1078849168.db2.gz FLSFATSNZXJKPT-KWQFWETISA-N -1 1 406.252 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c(Br)n1C ZINC000805049900 1078862978 /nfs/dbraw/zinc/86/29/78/1078862978.db2.gz BAKAFPBNKFPLEC-UHFFFAOYSA-N -1 1 420.279 2.779 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c(Br)n1C ZINC000805046540 1078861336 /nfs/dbraw/zinc/86/13/36/1078861336.db2.gz CMZVJHHYJJGWKY-UHFFFAOYSA-N -1 1 422.732 2.640 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c(Br)n1C ZINC000805055418 1078868975 /nfs/dbraw/zinc/86/89/75/1078868975.db2.gz WGPFHIMSQLAQOP-UONOGXRCSA-N -1 1 414.325 2.547 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c(Br)n1C ZINC000805076962 1078907754 /nfs/dbraw/zinc/90/77/54/1078907754.db2.gz DKZQLCXNNYHZMB-GFCCVEGCSA-N -1 1 406.346 2.651 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1ccnc(-n2cccn2)c1)C(F)(F)F ZINC001130086475 1078922336 /nfs/dbraw/zinc/92/23/36/1078922336.db2.gz BRKZFSHOZIRDDR-OAHLLOKOSA-N -1 1 415.375 2.517 20 0 HFADMM CCN(Cc1ccccc1)S(=O)(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805126795 1078925760 /nfs/dbraw/zinc/92/57/60/1078925760.db2.gz HINZZHUHFUXJHE-DZKIICNBSA-N -1 1 421.485 2.531 20 0 HFADMM CC(C)[C@@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccnn1C ZINC000805329790 1079021323 /nfs/dbraw/zinc/02/13/23/1079021323.db2.gz CLTHHCAVKGHEOL-AYDFFVQHSA-N -1 1 417.476 2.647 20 0 HFADMM CC[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H](C)S1(=O)=O ZINC000805396392 1079038564 /nfs/dbraw/zinc/03/85/64/1079038564.db2.gz FMWISVUYDNAPLF-JSGCOSHPSA-N -1 1 412.508 2.777 20 0 HFADMM O=C(COC(=O)c1cn[n-]n1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000805602743 1079151277 /nfs/dbraw/zinc/15/12/77/1079151277.db2.gz AXJKUTWWZWXVSM-UHFFFAOYSA-N -1 1 410.455 2.772 20 0 HFADMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)OC(=O)c1cn[n-]n1 ZINC000805607864 1079195239 /nfs/dbraw/zinc/19/52/39/1079195239.db2.gz SPHSJFAGXYNWJK-LLVKDONJSA-N -1 1 414.443 2.894 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCN(C)C(=O)OC(C)(C)C ZINC000806019787 1079393326 /nfs/dbraw/zinc/39/33/26/1079393326.db2.gz FWJBTGFMZGDJPU-UHFFFAOYSA-N -1 1 416.478 2.895 20 0 HFADMM C[C@H]1[C@@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC(=O)N1C ZINC000806069584 1079414140 /nfs/dbraw/zinc/41/41/40/1079414140.db2.gz ZRORSMJHEXYKRW-GTNSWQLSSA-N -1 1 424.425 2.542 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@H]2CC(=O)N(C)[C@H]2C)c1 ZINC000806076060 1079415242 /nfs/dbraw/zinc/41/52/42/1079415242.db2.gz ROPJATRZORJYNJ-KXBFYZLASA-N -1 1 416.499 2.880 20 0 HFADMM COC(=O)CCc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000787329050 1076771099 /nfs/dbraw/zinc/77/10/99/1076771099.db2.gz HUQDIGCIZYPTKX-UHFFFAOYSA-N -1 1 406.442 2.839 20 0 HFADMM COc1cc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000787416451 1076799038 /nfs/dbraw/zinc/79/90/38/1076799038.db2.gz DJBFMSWLSBZZTD-FQEVSTJZSA-N -1 1 417.849 2.642 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)c3nnnn3C)cc2)c1 ZINC000787579478 1076871704 /nfs/dbraw/zinc/87/17/04/1076871704.db2.gz MCPVHLJMEMVHQP-CQSZACIVSA-N -1 1 415.475 2.546 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787833118 1076957031 /nfs/dbraw/zinc/95/70/31/1076957031.db2.gz LCWHORMBMSFVTO-MRXNPFEDSA-N -1 1 406.845 2.627 20 0 HFADMM Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000787875220 1076971427 /nfs/dbraw/zinc/97/14/27/1076971427.db2.gz NAYXUYSVTDXYLO-UHFFFAOYSA-N -1 1 401.850 2.809 20 0 HFADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])Nc1cccc2nsnc21 ZINC000787953578 1077006829 /nfs/dbraw/zinc/00/68/29/1077006829.db2.gz ARKGUCSLQLLKHZ-UHFFFAOYSA-N -1 1 413.390 2.517 20 0 HFADMM O=C(NOC[C@@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000788118667 1077058703 /nfs/dbraw/zinc/05/87/03/1077058703.db2.gz PCUHGTXAJDDCSY-CYBMUJFWSA-N -1 1 410.879 2.839 20 0 HFADMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788146959 1077064992 /nfs/dbraw/zinc/06/49/92/1077064992.db2.gz DQLUDXTWNPHDOS-ZDUSSCGKSA-N -1 1 420.495 2.613 20 0 HFADMM Cc1cc(Br)cc2cc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)oc21 ZINC000788147149 1077065033 /nfs/dbraw/zinc/06/50/33/1077065033.db2.gz HJAAJSDDNQYHKY-NSHDSACASA-N -1 1 408.281 2.947 20 0 HFADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000788490446 1077179090 /nfs/dbraw/zinc/17/90/90/1077179090.db2.gz DMFJHCFMAGCKNM-MRXNPFEDSA-N -1 1 408.451 2.798 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(O)(C(C)C)C3)cc2)cc1 ZINC000788614967 1077228524 /nfs/dbraw/zinc/22/85/24/1077228524.db2.gz JTDNZFFXPAOQKY-UHFFFAOYSA-N -1 1 418.515 2.729 20 0 HFADMM CC(C)C1(O)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000788618071 1077230118 /nfs/dbraw/zinc/23/01/18/1077230118.db2.gz ZFPZPWLBFQQRLB-UHFFFAOYSA-N -1 1 408.907 2.984 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@H](OC)C(F)(F)F)c(C)c1Cl ZINC000788677830 1077247394 /nfs/dbraw/zinc/24/73/94/1077247394.db2.gz HPMWMUJRVSEBIW-ZETCQYMHSA-N -1 1 409.835 2.742 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OC[C@@H]2CC(=O)N(C)C2)c1 ZINC000772763689 1077259465 /nfs/dbraw/zinc/25/94/65/1077259465.db2.gz XACOESWAGLYLTO-MRXNPFEDSA-N -1 1 416.499 2.739 20 0 HFADMM O=c1[nH]cnc2c1cnn2-c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788743605 1077287433 /nfs/dbraw/zinc/28/74/33/1077287433.db2.gz VONBGUZIUDWJDP-UHFFFAOYSA-N -1 1 421.438 2.696 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccnc1-2 ZINC000791165955 1077322927 /nfs/dbraw/zinc/32/29/27/1077322927.db2.gz SAERYPCEZUJHQQ-INIZCTEOSA-N -1 1 418.284 2.892 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)ccnc1-2 ZINC000791168498 1077324427 /nfs/dbraw/zinc/32/44/27/1077324427.db2.gz WVQXYRKQEIXNPV-UHFFFAOYSA-N -1 1 406.467 2.568 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]CC[C@](O)(c2nccn2C)C(F)(F)F)sc1Cl ZINC000788896282 1077343254 /nfs/dbraw/zinc/34/32/54/1077343254.db2.gz MXQKGFLKFPJPHL-LBPRGKRZSA-N -1 1 417.862 2.562 20 0 HFADMM CC(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C(=O)Nc1nccs1 ZINC000788905085 1077347270 /nfs/dbraw/zinc/34/72/70/1077347270.db2.gz GUMKOABCBWHHQC-HNNXBMFYSA-N -1 1 407.517 2.849 20 0 HFADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000788933139 1077367605 /nfs/dbraw/zinc/36/76/05/1077367605.db2.gz RSFCWYKISYGFKP-UHFFFAOYSA-N -1 1 421.397 2.617 20 0 HFADMM CCOC(=O)c1cc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c(F)cc1C ZINC000791309035 1077367614 /nfs/dbraw/zinc/36/76/14/1077367614.db2.gz ZQDLSJXIWYYMHT-UHFFFAOYSA-N -1 1 424.450 2.941 20 0 HFADMM CSc1nc(C)c(CCC(=O)OCCc2cn(-c3ccccc3F)nn2)c(=O)[n-]1 ZINC000789507734 1077601427 /nfs/dbraw/zinc/60/14/27/1077601427.db2.gz FECDQTQEAJULNL-UHFFFAOYSA-N -1 1 417.466 2.651 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1Cl ZINC000789535333 1077631098 /nfs/dbraw/zinc/63/10/98/1077631098.db2.gz OVLYOCIMYXERDK-UHFFFAOYSA-N -1 1 400.243 2.997 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N2CCCCC2)cc1Cl ZINC000789621349 1077690704 /nfs/dbraw/zinc/69/07/04/1077690704.db2.gz ICIKFCLHMXRWTF-KRWDZBQOSA-N -1 1 402.944 2.972 20 0 HFADMM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000789733959 1077742930 /nfs/dbraw/zinc/74/29/30/1077742930.db2.gz CSYCLAGVANBEQH-UHFFFAOYSA-N -1 1 412.899 2.760 20 0 HFADMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1n[nH]nc1C ZINC000789869177 1077844380 /nfs/dbraw/zinc/84/43/80/1077844380.db2.gz LUNMMBDCKDAFDN-UHFFFAOYSA-N -1 1 421.866 2.828 20 0 HFADMM C[C@@H](CNC(=O)c1cc(I)ccc1[O-])NC(=O)OC(C)(C)C ZINC000792517547 1077884136 /nfs/dbraw/zinc/88/41/36/1077884136.db2.gz STFBJHDLCHMSAU-VIFPVBQESA-N -1 1 420.247 2.640 20 0 HFADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000792536552 1077892065 /nfs/dbraw/zinc/89/20/65/1077892065.db2.gz YYJGZDQFISZUFM-CPUCHLNUSA-N -1 1 414.531 2.732 20 0 HFADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](C(=O)OC)c2ccccc2)cc1 ZINC000790004667 1077900031 /nfs/dbraw/zinc/90/00/31/1077900031.db2.gz JCJPVJINYDTKMT-SFHVURJKSA-N -1 1 405.472 2.952 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cc1C(=O)[O-] ZINC000792586378 1077922699 /nfs/dbraw/zinc/92/26/99/1077922699.db2.gz RNYGTRQDEXFHJQ-ZDUSSCGKSA-N -1 1 416.927 2.686 20 0 HFADMM C[C@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)C1=O ZINC000790083663 1077926415 /nfs/dbraw/zinc/92/64/15/1077926415.db2.gz RHENPGIRXAXUMO-LJQANCHMSA-N -1 1 403.435 2.851 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000790048104 1077928849 /nfs/dbraw/zinc/92/88/49/1077928849.db2.gz QNAHGSGYPSHSCH-LLVKDONJSA-N -1 1 413.858 2.619 20 0 HFADMM CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049340 1077928917 /nfs/dbraw/zinc/92/89/17/1077928917.db2.gz YNDURFLHTUBNJL-NWDGAFQWSA-N -1 1 412.918 2.605 20 0 HFADMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC001170301584 1077932184 /nfs/dbraw/zinc/93/21/84/1077932184.db2.gz SZKVENRVWMMOMS-UHFFFAOYSA-N -1 1 411.483 2.864 20 0 HFADMM O=C(Nc1c[nH]nn1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000790062265 1077935925 /nfs/dbraw/zinc/93/59/25/1077935925.db2.gz HACCTLIUNNREMQ-UHFFFAOYSA-N -1 1 411.365 2.877 20 0 HFADMM CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790062584 1077935950 /nfs/dbraw/zinc/93/59/50/1077935950.db2.gz KAAAGCGHDMPAEY-UHFFFAOYSA-N -1 1 413.883 2.732 20 0 HFADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2ncc3ccccc3c2[O-])CCOCC1 ZINC001170311798 1077940245 /nfs/dbraw/zinc/94/02/45/1077940245.db2.gz VIVPNWSYABPDMS-UHFFFAOYSA-N -1 1 401.463 2.744 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CCc3ccc(N(C)C)cc3)c2)n1 ZINC000790160902 1077962298 /nfs/dbraw/zinc/96/22/98/1077962298.db2.gz WCGHMSHMRMXEGE-UHFFFAOYSA-N -1 1 421.501 2.963 20 0 HFADMM O=C(N1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1)C(F)(F)F ZINC000790226296 1077980498 /nfs/dbraw/zinc/98/04/98/1077980498.db2.gz ZSAAUFGWAOFSPM-UHFFFAOYSA-N -1 1 402.797 2.558 20 0 HFADMM C[C@]1(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC(=O)N1 ZINC000792897521 1078018804 /nfs/dbraw/zinc/01/88/04/1078018804.db2.gz BXQRGNHTYMMVGC-FQEVSTJZSA-N -1 1 401.488 2.875 20 0 HFADMM COc1ccc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000806311421 1079565750 /nfs/dbraw/zinc/56/57/50/1079565750.db2.gz JZIBKBCAEIZOON-FZKQIMNGSA-N -1 1 407.492 2.619 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806405015 1079692969 /nfs/dbraw/zinc/69/29/69/1079692969.db2.gz FFKFDOOUKHRYID-HUBLWGQQSA-N -1 1 424.427 2.791 20 0 HFADMM CN(CCOc1ccc(Br)cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806493235 1079743554 /nfs/dbraw/zinc/74/35/54/1079743554.db2.gz RBOJZXWDDBJBGT-UHFFFAOYSA-N -1 1 404.268 2.647 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccnc1-2 ZINC000806484014 1079769863 /nfs/dbraw/zinc/76/98/63/1079769863.db2.gz ZLQQFBQVHDZPLO-UHFFFAOYSA-N -1 1 404.396 2.715 20 0 HFADMM COCCc1ccnc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000806661215 1079893041 /nfs/dbraw/zinc/89/30/41/1079893041.db2.gz ZXBVPOBCJZTZRB-HUBLWGQQSA-N -1 1 402.417 2.580 20 0 HFADMM O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)NN1CC(=O)[N-]C1=O ZINC000806785913 1080009109 /nfs/dbraw/zinc/00/91/09/1080009109.db2.gz RXLBPRJYJSOUKN-UHFFFAOYSA-N -1 1 400.247 2.629 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC(c4cccc5ccccc54)CC3)ccnc1-2 ZINC000806878961 1080077893 /nfs/dbraw/zinc/07/78/93/1080077893.db2.gz QHWBDJBOZOHXDY-UHFFFAOYSA-N -1 1 413.481 2.840 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccccc3Sc3ccccc3)ccnc1-2 ZINC000806891015 1080083189 /nfs/dbraw/zinc/08/31/89/1080083189.db2.gz RURRUGWCUQZGSJ-UHFFFAOYSA-N -1 1 417.494 2.748 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](c3ccc(Cl)cc3)C3CCCC3)ccnc1-2 ZINC000806888301 1080085157 /nfs/dbraw/zinc/08/51/57/1080085157.db2.gz YLSCJOOTAIDHLX-GOSISDBHSA-N -1 1 411.893 2.981 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000806956048 1080122285 /nfs/dbraw/zinc/12/22/85/1080122285.db2.gz XUHNYGMBZBQQAH-VXGBXAGGSA-N -1 1 419.407 2.608 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccc(Sc4ccccc4)cc3)ccnc1-2 ZINC000806946946 1080156997 /nfs/dbraw/zinc/15/69/97/1080156997.db2.gz VNLHUILDXJHSBF-UHFFFAOYSA-N -1 1 417.494 2.748 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806994997 1080173991 /nfs/dbraw/zinc/17/39/91/1080173991.db2.gz BZSIVYKYMFICLR-DEEHTKSCSA-N -1 1 423.501 2.528 20 0 HFADMM CCOc1ccc(C[C@H](CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C(=O)OC)cc1 ZINC000747367137 1080177320 /nfs/dbraw/zinc/17/73/20/1080177320.db2.gz OKRHZBGFOVXRDN-MRXNPFEDSA-N -1 1 415.490 2.774 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000747368706 1080219110 /nfs/dbraw/zinc/21/91/10/1080219110.db2.gz JGGCVDWVIAWEBY-UHFFFAOYSA-N -1 1 422.489 2.622 20 0 HFADMM C[C@@H](CCC1CCCCC1)NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807085594 1080262662 /nfs/dbraw/zinc/26/26/62/1080262662.db2.gz HNROTLQCIFAOEQ-AWEZNQCLSA-N -1 1 419.488 2.769 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747373046 1080285306 /nfs/dbraw/zinc/28/53/06/1080285306.db2.gz SJRAMTSDKBEYKY-DGCLKSJQSA-N -1 1 410.540 2.978 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccc(F)cc3Cl)CC3CC3)ccnc1-2 ZINC000807297934 1080492302 /nfs/dbraw/zinc/49/23/02/1080492302.db2.gz ORJLTPDJDRRKAB-UHFFFAOYSA-N -1 1 415.856 2.512 20 0 HFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130905289 1080496064 /nfs/dbraw/zinc/49/60/64/1080496064.db2.gz KPGKZHXOIOZBCS-XZBVAUNFSA-N -1 1 418.456 2.658 20 0 HFADMM COc1cc(C[C@@H](NCc2cnn(-c3cc(C)cc(C)c3)n2)C(=O)[O-])cc(OC)c1 ZINC000756359754 1126107461 /nfs/dbraw/zinc/10/74/61/1126107461.db2.gz FIEYSZCEOOZRPN-OAQYLSRUSA-N -1 1 410.474 2.687 20 0 HFADMM C[C@@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505469 939129894 /nfs/dbraw/zinc/12/98/94/939129894.db2.gz NPAZFIBHCYZMAX-QRWLVFNGSA-N -1 1 420.529 2.971 20 0 HFADMM O=C([O-])C1(NC(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000780568863 939133141 /nfs/dbraw/zinc/13/31/41/939133141.db2.gz IFXOUCKCJHWURR-UHFFFAOYSA-N -1 1 422.957 2.939 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000746936480 1078081775 /nfs/dbraw/zinc/08/17/75/1078081775.db2.gz RDXFDKYVUNYNTR-INIZCTEOSA-N -1 1 414.506 2.923 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cc1OC ZINC000790627951 1078081917 /nfs/dbraw/zinc/08/19/17/1078081917.db2.gz VSBHCKSNGJQFBT-UHFFFAOYSA-N -1 1 415.807 2.585 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000746936096 1078082470 /nfs/dbraw/zinc/08/24/70/1078082470.db2.gz YLUBDOCGVTULBQ-GFCCVEGCSA-N -1 1 418.400 2.833 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000746935281 1078078493 /nfs/dbraw/zinc/07/84/93/1078078493.db2.gz PKRQYBODWFBLPF-MJEQTWJJSA-N -1 1 402.495 2.611 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N(C)CC1CCCCC1 ZINC000746934983 1078080148 /nfs/dbraw/zinc/08/01/48/1078080148.db2.gz ISAQQKRQXJDUPF-UHFFFAOYSA-N -1 1 402.495 2.566 20 0 HFADMM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793108635 1078080490 /nfs/dbraw/zinc/08/04/90/1078080490.db2.gz BQOVFMCUKDTGCU-UHFFFAOYSA-N -1 1 421.276 2.661 20 0 HFADMM Cc1ccccc1CNC(=O)[C@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746937918 1078088777 /nfs/dbraw/zinc/08/87/77/1078088777.db2.gz YQWGQJRIEQOMJR-INIZCTEOSA-N -1 1 410.474 2.541 20 0 HFADMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCC1 ZINC000746940135 1078092822 /nfs/dbraw/zinc/09/28/22/1078092822.db2.gz AAPYVUVPCJYZJQ-UHFFFAOYSA-N -1 1 408.863 2.530 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H]3C(=O)OCC3(C)C)c2)cc1 ZINC000793295923 1078120693 /nfs/dbraw/zinc/12/06/93/1078120693.db2.gz UWASDQUUWSBVQB-QGZVFWFLSA-N -1 1 403.456 2.904 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC[C@H]3CC(=O)N(C)C3)c2)c1 ZINC000772762102 1078122313 /nfs/dbraw/zinc/12/23/13/1078122313.db2.gz FVJLHRUGSSYLQF-INIZCTEOSA-N -1 1 416.499 2.739 20 0 HFADMM COCCOc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793389475 1078164207 /nfs/dbraw/zinc/16/42/07/1078164207.db2.gz VMELAPSGOMVBMM-UHFFFAOYSA-N -1 1 401.387 2.797 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)OC)cc2)c1 ZINC000793381664 1078160734 /nfs/dbraw/zinc/16/07/34/1078160734.db2.gz OZGSEVPHBCLKEZ-UHFFFAOYSA-N -1 1 422.459 2.623 20 0 HFADMM CCNC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793432782 1078170726 /nfs/dbraw/zinc/17/07/26/1078170726.db2.gz QSSMBFQKMHYBJZ-UHFFFAOYSA-N -1 1 423.466 2.887 20 0 HFADMM COCc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc(C(=O)OC)c1 ZINC000793452864 1078176115 /nfs/dbraw/zinc/17/61/15/1078176115.db2.gz LXUKRGGZIYEJBZ-UHFFFAOYSA-N -1 1 403.412 2.527 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)c(C)cc1F ZINC000793417015 1078176797 /nfs/dbraw/zinc/17/67/97/1078176797.db2.gz UZLXFQVIPMJDOG-UHFFFAOYSA-N -1 1 404.423 2.517 20 0 HFADMM COCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc(C(=O)OC)c1 ZINC000793454325 1078192052 /nfs/dbraw/zinc/19/20/52/1078192052.db2.gz ZLNNXWROCMMLQD-UHFFFAOYSA-N -1 1 413.835 2.772 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3cccnc3F)c2)cc1 ZINC000794011753 1078361431 /nfs/dbraw/zinc/36/14/31/1078361431.db2.gz ABNSKLXOCNGVMA-UHFFFAOYSA-N -1 1 415.446 2.960 20 0 HFADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1 ZINC000794070181 1078368041 /nfs/dbraw/zinc/36/80/41/1078368041.db2.gz MBIVJTVMUGOODA-UHFFFAOYSA-N -1 1 419.406 2.966 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)c2)c(C)cc1F ZINC000794029181 1078369409 /nfs/dbraw/zinc/36/94/09/1078369409.db2.gz NRECXMFWVZGJHU-UHFFFAOYSA-N -1 1 422.478 2.554 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794098713 1078371754 /nfs/dbraw/zinc/37/17/54/1078371754.db2.gz CEUYQACLOLYVNT-UHFFFAOYSA-N -1 1 413.409 2.719 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@]3(C)CCOC3=O)ccc2C)c1 ZINC000794101752 1078372360 /nfs/dbraw/zinc/37/23/60/1078372360.db2.gz WIJNELJNKOFFLW-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM CSCCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000794189104 1078383232 /nfs/dbraw/zinc/38/32/32/1078383232.db2.gz UVCCSEWDVKQQTB-UHFFFAOYSA-N -1 1 402.444 2.790 20 0 HFADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000804384403 1078444236 /nfs/dbraw/zinc/44/42/36/1078444236.db2.gz CNUVOMOKXNMHHO-DYZFCQSDSA-N -1 1 414.380 2.998 20 0 HFADMM CC[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@@H](C)[S@]1=O ZINC000804435215 1078478033 /nfs/dbraw/zinc/47/80/33/1078478033.db2.gz LXNUMEXSFVIRHX-YCFLJYHJSA-N -1 1 422.425 2.875 20 0 HFADMM Cc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747204258 1078497870 /nfs/dbraw/zinc/49/78/70/1078497870.db2.gz WLMXAAKOHAXZPG-UHFFFAOYSA-N -1 1 419.469 2.957 20 0 HFADMM C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000804440201 1078504434 /nfs/dbraw/zinc/50/44/34/1078504434.db2.gz VGELHELVXCDKGE-GDBMZVCRSA-N -1 1 405.495 2.674 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cc(C)nc4cc(Br)ccc43)nc2n1 ZINC001129521066 1078532546 /nfs/dbraw/zinc/53/25/46/1078532546.db2.gz WLWJDMLRDQJFQS-UHFFFAOYSA-N -1 1 413.235 2.597 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(c2ccccc2)=NO1)C(F)(F)F ZINC001129895345 1078590202 /nfs/dbraw/zinc/59/02/02/1078590202.db2.gz DHSRVGDDVXPTIQ-YJBOKZPZSA-N -1 1 417.387 2.816 20 0 HFADMM COC[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)CCCN1C(=O)OC(C)(C)C ZINC000804789161 1078645737 /nfs/dbraw/zinc/64/57/37/1078645737.db2.gz CIABGIDWFNNHAI-IBGZPJMESA-N -1 1 400.422 2.816 20 0 HFADMM C[C@H]1CCN(C(=O)NCCCOc2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804903713 1078758470 /nfs/dbraw/zinc/75/84/70/1078758470.db2.gz FPQQLLDHAFGJSL-DZKIICNBSA-N -1 1 401.429 2.943 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)COc2c(C)cccc2C)c(Br)n1C ZINC000804967564 1078803972 /nfs/dbraw/zinc/80/39/72/1078803972.db2.gz XZOJKTDJTQDRBV-GFCCVEGCSA-N -1 1 416.341 2.854 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c(Br)n1C ZINC000804972072 1078809452 /nfs/dbraw/zinc/80/94/52/1078809452.db2.gz YOGSFMBMUILACC-UHFFFAOYSA-N -1 1 409.309 2.560 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)c(Br)n1C ZINC000805021341 1078832940 /nfs/dbraw/zinc/83/29/40/1078832940.db2.gz YKNGCXMKYZTVRO-QMMMGPOBSA-N -1 1 408.268 2.851 20 0 HFADMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(C)C ZINC000805027622 1078839698 /nfs/dbraw/zinc/83/96/98/1078839698.db2.gz PMUXHDXTGAJAGI-VXGBXAGGSA-N -1 1 408.362 2.753 20 0 HFADMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(C)C ZINC000805027620 1078839919 /nfs/dbraw/zinc/83/99/19/1078839919.db2.gz PMUXHDXTGAJAGI-NWDGAFQWSA-N -1 1 408.362 2.753 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NOCCCOC)ccc2C)cc1 ZINC000805038951 1078856917 /nfs/dbraw/zinc/85/69/17/1078856917.db2.gz QVSQOJBNXPTHEW-UHFFFAOYSA-N -1 1 422.503 2.892 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c(Br)n1C ZINC000805062992 1078873912 /nfs/dbraw/zinc/87/39/12/1078873912.db2.gz YEXSPCFFVZQZIN-UHFFFAOYSA-N -1 1 424.324 2.654 20 0 HFADMM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805053821 1078866431 /nfs/dbraw/zinc/86/64/31/1078866431.db2.gz FDEWGQGZXQPUCB-ZIAGYGMSSA-N -1 1 414.325 2.724 20 0 HFADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805053157 1078866865 /nfs/dbraw/zinc/86/68/65/1078866865.db2.gz JHGUCAFNAAJBKS-RNCFNFMXSA-N -1 1 420.304 2.685 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](O)c2ccccc2)c(Br)n1C ZINC000805083064 1078912546 /nfs/dbraw/zinc/91/25/46/1078912546.db2.gz JBMCRHSSPSWRCC-KGLIPLIRSA-N -1 1 416.341 2.528 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c(Br)n1C ZINC000805083259 1078913608 /nfs/dbraw/zinc/91/36/08/1078913608.db2.gz QLJRVQLMHIIQLP-UHFFFAOYSA-N -1 1 414.659 2.901 20 0 HFADMM O=C(OCc1ccccc1)N1CCC(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)CC1 ZINC000805142011 1078939057 /nfs/dbraw/zinc/93/90/57/1078939057.db2.gz NCUQFUUWFRAKKH-MRXNPFEDSA-N -1 1 402.463 2.895 20 0 HFADMM CCCS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805143396 1078943154 /nfs/dbraw/zinc/94/31/54/1078943154.db2.gz JHDLVXAZRXKGQG-ZFWWWQNUSA-N -1 1 408.442 2.619 20 0 HFADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805172018 1078957669 /nfs/dbraw/zinc/95/76/69/1078957669.db2.gz KBDFKWSASPSYRI-QMHWVQJVSA-N -1 1 407.477 2.925 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805452609 1079079863 /nfs/dbraw/zinc/07/98/63/1079079863.db2.gz IAYZEUHWZGVAND-XQLPTFJDSA-N -1 1 405.461 2.823 20 0 HFADMM O=C(OCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1cn[n-]n1 ZINC000805606337 1079153380 /nfs/dbraw/zinc/15/33/80/1079153380.db2.gz WDVPLMJPUBERLJ-INIZCTEOSA-N -1 1 420.878 2.725 20 0 HFADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000805610290 1079174142 /nfs/dbraw/zinc/17/41/42/1079174142.db2.gz YWCJGVXRNASRSJ-ZBEGNZNMSA-N -1 1 413.821 2.974 20 0 HFADMM COC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747255862 1079174583 /nfs/dbraw/zinc/17/45/83/1079174583.db2.gz OSRVMNJRLTUDSB-UHFFFAOYSA-N -1 1 403.254 2.850 20 0 HFADMM COC(=O)c1cc(Br)ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747255862 1079174586 /nfs/dbraw/zinc/17/45/86/1079174586.db2.gz OSRVMNJRLTUDSB-UHFFFAOYSA-N -1 1 403.254 2.850 20 0 HFADMM COc1ccc2c(c1)OC[C@H](C(=O)OCCc1c(C)nc(-c3ccccn3)[n-]c1=O)C2 ZINC000806017241 1079391921 /nfs/dbraw/zinc/39/19/21/1079391921.db2.gz BXXXVOGNKDRFBB-MRXNPFEDSA-N -1 1 421.453 2.898 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000806019629 1079393532 /nfs/dbraw/zinc/39/35/32/1079393532.db2.gz CAQFHXRJGJNHCP-UHFFFAOYSA-N -1 1 421.457 2.516 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000806020371 1079394485 /nfs/dbraw/zinc/39/44/85/1079394485.db2.gz PIPWSDLHOGQWDL-MRXNPFEDSA-N -1 1 422.416 2.903 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H]3CC(=O)N(C)[C@H]3C)ccc2C)cc1 ZINC000806069637 1079414103 /nfs/dbraw/zinc/41/41/03/1079414103.db2.gz AHVGIVCQVAJGAA-YJBOKZPZSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nnnn3C)ccc2C)cc1 ZINC000787618903 1076880993 /nfs/dbraw/zinc/88/09/93/1076880993.db2.gz LKYCMRMSOKUZHC-AWEZNQCLSA-N -1 1 415.475 2.546 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000788052506 1077042324 /nfs/dbraw/zinc/04/23/24/1077042324.db2.gz FNSMQNKSUDDESB-UHFFFAOYSA-N -1 1 416.452 2.593 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)c1C ZINC000788117078 1077058387 /nfs/dbraw/zinc/05/83/87/1077058387.db2.gz DZLDBVRILOIQDG-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788147846 1077064855 /nfs/dbraw/zinc/06/48/55/1077064855.db2.gz JOZULFPJPLJWHT-CYBMUJFWSA-N -1 1 410.290 2.623 20 0 HFADMM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc4ncsc4c3)c2)C1=O ZINC000788499679 1077183334 /nfs/dbraw/zinc/18/33/34/1077183334.db2.gz WLXOMNZKRJYNPN-UHFFFAOYSA-N -1 1 416.484 2.932 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(C)c1Cl ZINC000788549837 1077197471 /nfs/dbraw/zinc/19/74/71/1077197471.db2.gz WJRQEMVMPBHIML-UHFFFAOYSA-N -1 1 419.912 2.914 20 0 HFADMM Cc1ccc(C(=O)NOC[C@@H]2CCOC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000788572793 1077210273 /nfs/dbraw/zinc/21/02/73/1077210273.db2.gz VSDBJPXEDFGOOR-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)c(F)c1)c1c(Cl)ccnc1Cl ZINC000790930620 1077237075 /nfs/dbraw/zinc/23/70/75/1077237075.db2.gz XXQAHCICGPPVOT-SNVBAGLBSA-N -1 1 411.257 2.796 20 0 HFADMM O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1[O-] ZINC000790947277 1077251427 /nfs/dbraw/zinc/25/14/27/1077251427.db2.gz OGMQNWJJUMDBJT-FQEVSTJZSA-N -1 1 408.458 2.981 20 0 HFADMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1nnnn1C1CC1 ZINC000790942411 1077260865 /nfs/dbraw/zinc/26/08/65/1077260865.db2.gz NJKLUICDJAMLIF-RXMQYKEDSA-N -1 1 412.722 2.525 20 0 HFADMM C[C@@H]1CC(=O)C[C@@H](C(=O)[N-]OCc2ccccc2)[C@@H]1C(=O)NOCc1ccccc1 ZINC000791123658 1077293474 /nfs/dbraw/zinc/29/34/74/1077293474.db2.gz GYYYKCIFRDMBFI-MAODMQOUSA-N -1 1 410.470 2.714 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccc(Cl)nc3)c2)n1 ZINC000788882381 1077328800 /nfs/dbraw/zinc/32/88/00/1077328800.db2.gz DAIUEXMMBPOXBX-UHFFFAOYSA-N -1 1 414.853 2.696 20 0 HFADMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)OCC(F)(F)F ZINC000788901539 1077344857 /nfs/dbraw/zinc/34/48/57/1077344857.db2.gz ZBYFPJPJSPCABI-UHFFFAOYSA-N -1 1 417.361 2.750 20 0 HFADMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCOC1 ZINC000788911673 1077350097 /nfs/dbraw/zinc/35/00/97/1077350097.db2.gz 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COc1cc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1C ZINC000806512807 1079788989 /nfs/dbraw/zinc/78/89/89/1079788989.db2.gz ULKJXPAIMXNKNV-XEZPLFJOSA-N -1 1 401.429 2.991 20 0 HFADMM COc1ccccc1[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)NC(=O)OC(C)(C)C ZINC000806517331 1079793473 /nfs/dbraw/zinc/79/34/73/1079793473.db2.gz OITUMYFWEQBZPJ-KRWDZBQOSA-N -1 1 414.458 2.966 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C=C1CCCC1 ZINC001130701803 1079902223 /nfs/dbraw/zinc/90/22/23/1079902223.db2.gz XPEWAXLJNVXGGG-DZGCQCFKSA-N -1 1 404.429 2.867 20 0 HFADMM CC(C)[C@H](CO)CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000806684288 1079911873 /nfs/dbraw/zinc/91/18/73/1079911873.db2.gz TWFDICVKHREFRC-KRWDZBQOSA-N -1 1 405.520 2.551 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000747355466 1080037436 /nfs/dbraw/zinc/03/74/36/1080037436.db2.gz SPPBEVPBCPKFGV-UHFFFAOYSA-N -1 1 400.454 2.741 20 0 HFADMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806822931 1080040503 /nfs/dbraw/zinc/04/05/03/1080040503.db2.gz LBLGDESSTYLVLG-GREKMHCPSA-N -1 1 413.444 2.649 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)ccnc1-2 ZINC000806831144 1080044641 /nfs/dbraw/zinc/04/46/41/1080044641.db2.gz SZOZTXVHPXNGQQ-LJQANCHMSA-N -1 1 419.872 2.840 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](CCc3ccccc3)c3ccccc3)ccnc1-2 ZINC000806857642 1080061013 /nfs/dbraw/zinc/06/10/13/1080061013.db2.gz UKYXFXGRYQLWNU-HXUWFJFHSA-N -1 1 413.481 2.771 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H]3CCc4ccc(-c5ccccc5)cc43)ccnc1-2 ZINC000806988795 1080168056 /nfs/dbraw/zinc/16/80/56/1080168056.db2.gz ZSUUUIGBJRSKBL-HXUWFJFHSA-N -1 1 411.465 2.751 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000747366255 1080193879 /nfs/dbraw/zinc/19/38/79/1080193879.db2.gz GGXLTGWHGHSIQQ-UHFFFAOYSA-N -1 1 416.909 2.795 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCc4sccc4[C@@H]3c3cccs3)ccnc1-2 ZINC000806986540 1080197839 /nfs/dbraw/zinc/19/78/39/1080197839.db2.gz BWTXZNAAQVDTKS-QGZVFWFLSA-N -1 1 423.523 2.578 20 0 HFADMM Cc1ccccc1COc1cccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000807012270 1080210649 /nfs/dbraw/zinc/21/06/49/1080210649.db2.gz NMGHVELKDLENIF-UHFFFAOYSA-N -1 1 415.453 2.806 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@H]3/C=C\c3cccs3)ccnc1-2 ZINC000807025968 1080219903 /nfs/dbraw/zinc/21/99/03/1080219903.db2.gz GFBLMYPOTDZICC-RYHZVXDDSA-N -1 1 409.515 2.826 20 0 HFADMM CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)CC1 ZINC000807245013 1080399999 /nfs/dbraw/zinc/39/99/99/1080399999.db2.gz ZQMAORWXJFHDFN-UHFFFAOYSA-N -1 1 414.462 2.982 20 0 HFADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC001130905287 1080496077 /nfs/dbraw/zinc/49/60/77/1080496077.db2.gz KPGKZHXOIOZBCS-MNQBEEPXSA-N -1 1 418.456 2.658 20 0 HFADMM CSc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000807492278 1080680440 /nfs/dbraw/zinc/68/04/40/1080680440.db2.gz CCAWUJVTCNAFMG-MJVIPROJSA-N -1 1 417.453 2.651 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](c2cccnc2)C1 ZINC000807478893 1080732271 /nfs/dbraw/zinc/73/22/71/1080732271.db2.gz JMXABHJHQJVMIP-GOSISDBHSA-N -1 1 411.458 2.791 20 0 HFADMM COc1cc(Br)c(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1OC ZINC000426746892 1126086481 /nfs/dbraw/zinc/08/64/81/1126086481.db2.gz LIWMRHTUTRVSKP-CQSZACIVSA-N -1 1 412.284 2.523 20 0 HFADMM C[C@H]1CN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000780392081 939114365 /nfs/dbraw/zinc/11/43/65/939114365.db2.gz JELMFBGOKFJENC-FIKGOQFSSA-N -1 1 411.502 2.921 20 0 HFADMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)c1ccccc1 ZINC000426686337 939142171 /nfs/dbraw/zinc/14/21/71/939142171.db2.gz MKLQATRAFGNIRU-ZDUSSCGKSA-N -1 1 421.194 2.723 20 0 HFADMM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000790604594 1078065623 /nfs/dbraw/zinc/06/56/23/1078065623.db2.gz SLFMKOSRYXLFAQ-CYBMUJFWSA-N -1 1 400.266 2.512 20 0 HFADMM O=C(NOCc1cccnc1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000746936448 1078082450 /nfs/dbraw/zinc/08/24/50/1078082450.db2.gz JBWOFTPZIVBZAV-UHFFFAOYSA-N -1 1 401.419 2.883 20 0 HFADMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746935824 1078080987 /nfs/dbraw/zinc/08/09/87/1078080987.db2.gz UQBZJBQYFKTSCP-OAHLLOKOSA-N -1 1 424.501 2.583 20 0 HFADMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3cccc(-c4nnc[nH]4)c3)cc(Cl)c2O1 ZINC000793158332 1078092713 /nfs/dbraw/zinc/09/27/13/1078092713.db2.gz TVVFXKXQJROMOM-SNVBAGLBSA-N -1 1 418.862 2.567 20 0 HFADMM O=C([N-]S(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl)c1ccc2cncn2c1 ZINC000793319462 1078136117 /nfs/dbraw/zinc/13/61/17/1078136117.db2.gz UZIJEAMGFSPSRQ-UHFFFAOYSA-N -1 1 403.847 2.699 20 0 HFADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)CCCCC1 ZINC000793368445 1078150760 /nfs/dbraw/zinc/15/07/60/1078150760.db2.gz ZONRLFUMGMHXNB-UHFFFAOYSA-N -1 1 412.483 2.818 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c(C)cc1F ZINC000793351319 1078156469 /nfs/dbraw/zinc/15/64/69/1078156469.db2.gz BPTNTUSVTLSWAJ-UHFFFAOYSA-N -1 1 406.435 2.614 20 0 HFADMM CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793407385 1078158269 /nfs/dbraw/zinc/15/82/69/1078158269.db2.gz YZSQVEKQNQGKRS-UHFFFAOYSA-N -1 1 424.450 2.734 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc1C ZINC000793383409 1078161701 /nfs/dbraw/zinc/16/17/01/1078161701.db2.gz CKIRAGSCPJIJGB-OKILXGFUSA-N -1 1 419.503 2.591 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2C)c(C)cc1F ZINC000793428280 1078169621 /nfs/dbraw/zinc/16/96/21/1078169621.db2.gz KBJVBIPNZUOHRA-UHFFFAOYSA-N -1 1 421.450 2.560 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(N3CCNC3=O)c2)c(C)cc1F ZINC000793428313 1078169633 /nfs/dbraw/zinc/16/96/33/1078169633.db2.gz KUXQSRPAQDYIHE-UHFFFAOYSA-N -1 1 421.450 2.560 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)c1 ZINC000793451819 1078175167 /nfs/dbraw/zinc/17/51/67/1078175167.db2.gz IRCJVRCPOJVTDD-UHFFFAOYSA-N -1 1 415.265 2.977 20 0 HFADMM C[C@@H](CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])N1CCCCC1=O ZINC000793934285 1078342451 /nfs/dbraw/zinc/34/24/51/1078342451.db2.gz JNYPMKABJRUPTG-NSHDSACASA-N -1 1 417.384 2.634 20 0 HFADMM CSc1nc(C)c(CCC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c(=O)[n-]1 ZINC000794111851 1078373650 /nfs/dbraw/zinc/37/36/50/1078373650.db2.gz RUJVXYCBFRPIAF-UHFFFAOYSA-N -1 1 406.439 2.880 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@]3(C)CCOC3=O)ccc2C)cc1 ZINC000794087685 1078378291 /nfs/dbraw/zinc/37/82/91/1078378291.db2.gz WZKOMHVPHVAXNE-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@]3(C)CCOC3=O)cc2)c1 ZINC000794087691 1078378296 /nfs/dbraw/zinc/37/82/96/1078378296.db2.gz XCRKWTFESZXPGT-FQEVSTJZSA-N -1 1 402.472 2.540 20 0 HFADMM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NOCCSC)c([O-])c2)c1 ZINC000794187054 1078382888 /nfs/dbraw/zinc/38/28/88/1078382888.db2.gz BIHOZRVDHYOQFC-UHFFFAOYSA-N -1 1 406.460 2.686 20 0 HFADMM CCOC(=O)c1ccn(-c2cccc(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)c2)n1 ZINC000794266714 1078396553 /nfs/dbraw/zinc/39/65/53/1078396553.db2.gz VBJSGAVVXMQJLV-UHFFFAOYSA-N -1 1 423.473 2.906 20 0 HFADMM CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC001129488769 1078508872 /nfs/dbraw/zinc/50/88/72/1078508872.db2.gz YNNRVYIPEWXYHN-LBPRGKRZSA-N -1 1 415.412 2.568 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)OCCO2)C(F)(F)F ZINC001129896500 1078590826 /nfs/dbraw/zinc/59/08/26/1078590826.db2.gz QQHWFNVQUOBPCP-AWEZNQCLSA-N -1 1 406.360 2.708 20 0 HFADMM Cc1cc(C)n(CCCC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC001129896662 1078591292 /nfs/dbraw/zinc/59/12/92/1078591292.db2.gz SDCFTTZZAKQJNW-INIZCTEOSA-N -1 1 408.424 2.917 20 0 HFADMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000804631362 1078685771 /nfs/dbraw/zinc/68/57/71/1078685771.db2.gz LZXRZTSYLZXLSC-UONOGXRCSA-N -1 1 416.396 2.921 20 0 HFADMM COc1cccc(CCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000804918602 1078739219 /nfs/dbraw/zinc/73/92/19/1078739219.db2.gz QBUINTXZZYWBAQ-XEZPLFJOSA-N -1 1 401.429 2.725 20 0 HFADMM CC(C)Oc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cn1 ZINC000804919282 1078740525 /nfs/dbraw/zinc/74/05/25/1078740525.db2.gz JIEFXXMXKZPHHI-XEZPLFJOSA-N -1 1 416.444 2.856 20 0 HFADMM CC(=O)Nc1ccc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000804901688 1078756285 /nfs/dbraw/zinc/75/62/85/1078756285.db2.gz LKSBEALBOANCPK-MKBNYLNASA-N -1 1 414.428 2.632 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804889129 1078747607 /nfs/dbraw/zinc/74/76/07/1078747607.db2.gz FLOUTBGTMLAETM-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM CCN(CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1cccc(C)c1 ZINC000804948513 1078777081 /nfs/dbraw/zinc/77/70/81/1078777081.db2.gz WZLRMDDLVYSCAU-UHFFFAOYSA-N -1 1 415.357 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)c(Br)n1C ZINC000804988500 1078792882 /nfs/dbraw/zinc/79/28/82/1078792882.db2.gz MCGBJIZGBJJQMX-UHFFFAOYSA-N -1 1 421.386 2.766 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c(Br)n1C ZINC000804989257 1078793588 /nfs/dbraw/zinc/79/35/88/1078793588.db2.gz VSNNHNJWHDDHHR-UHFFFAOYSA-N -1 1 407.359 2.724 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(Br)n1C ZINC000804982967 1078818205 /nfs/dbraw/zinc/81/82/05/1078818205.db2.gz IGFCCHPODKTVQK-UHFFFAOYSA-N -1 1 411.281 2.625 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)c(Br)n1C ZINC000805017610 1078829044 /nfs/dbraw/zinc/82/90/44/1078829044.db2.gz JPWYRAMPURLJHC-LLVKDONJSA-N -1 1 402.314 2.545 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c(Br)n1C ZINC000805018671 1078829968 /nfs/dbraw/zinc/82/99/68/1078829968.db2.gz RJXWXRQJSPWAAQ-JTQLQIEISA-N -1 1 404.355 2.950 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(Br)n1C ZINC000805032455 1078844744 /nfs/dbraw/zinc/84/47/44/1078844744.db2.gz MAPNBJMLWZXIBB-SNVBAGLBSA-N -1 1 406.689 2.556 20 0 HFADMM O=S(=O)([N-]C[C@](O)(c1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000805011246 1078855999 /nfs/dbraw/zinc/85/59/99/1078855999.db2.gz JHWHCTISLZIRHJ-ZDUSSCGKSA-N -1 1 414.327 2.829 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c(Br)n1C ZINC000805057527 1078870622 /nfs/dbraw/zinc/87/06/22/1078870622.db2.gz TYRZRKXGNJNKLX-LBPRGKRZSA-N -1 1 418.288 2.822 20 0 HFADMM O=S(=O)([N-]Cc1nccc(C(F)F)n1)c1cc(Br)cnc1Cl ZINC000805150619 1078946606 /nfs/dbraw/zinc/94/66/06/1078946606.db2.gz MVJLDLWMRHPBBE-UHFFFAOYSA-N -1 1 413.631 2.704 20 0 HFADMM CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000805284241 1079008967 /nfs/dbraw/zinc/00/89/67/1079008967.db2.gz QJVRDOZLYHGTOZ-AWEZNQCLSA-N -1 1 410.540 2.615 20 0 HFADMM CCOC(=O)C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)=O ZINC000805337184 1079024651 /nfs/dbraw/zinc/02/46/51/1079024651.db2.gz KJURSAPBQCIZHY-SFHVURJKSA-N -1 1 419.455 2.555 20 0 HFADMM CCOC(=O)C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)=O ZINC000805361238 1079045978 /nfs/dbraw/zinc/04/59/78/1079045978.db2.gz SKCBMNLXJRJCII-GOSISDBHSA-N -1 1 419.455 2.555 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)c1ccc(C(F)(F)F)cn1 ZINC000805429398 1079058702 /nfs/dbraw/zinc/05/87/02/1079058702.db2.gz YRBLDDWVINWRJQ-UHFFFAOYSA-N -1 1 422.363 2.824 20 0 HFADMM CCCCNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830298 1079299848 /nfs/dbraw/zinc/29/98/48/1079299848.db2.gz ZLIOVUVOPKHIHL-YJBOKZPZSA-N -1 1 415.456 2.796 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000806017331 1079391909 /nfs/dbraw/zinc/39/19/09/1079391909.db2.gz YEXWBPWBCRSRTF-UHFFFAOYSA-N -1 1 422.466 2.996 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCCN1c1nccs1 ZINC000806018822 1079392450 /nfs/dbraw/zinc/39/24/50/1079392450.db2.gz GGNVJNBMGBWFCE-MRXNPFEDSA-N -1 1 411.487 2.764 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccccc1Cn1cncn1 ZINC000806018309 1079393091 /nfs/dbraw/zinc/39/30/91/1079393091.db2.gz UEXCQLPGJNXMMO-UHFFFAOYSA-N -1 1 416.441 2.592 20 0 HFADMM CCOC(=O)C1=C(NC(=O)c2cnc3c(cnn3C)c2)[N-]c2ccccc2N=C1C ZINC000747293998 1079393511 /nfs/dbraw/zinc/39/35/11/1079393511.db2.gz AGPMXTGFTJLNGD-UHFFFAOYSA-N -1 1 404.430 2.691 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@@H]3C)cc2)ccc1F ZINC000806068305 1079434266 /nfs/dbraw/zinc/43/42/66/1079434266.db2.gz KHPDMTACNUGCOP-FZKQIMNGSA-N -1 1 420.462 2.711 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCc2nnc(-c3ccccc3)o2)o1 ZINC000806109383 1079440111 /nfs/dbraw/zinc/44/01/11/1079440111.db2.gz DOXUQKCHNNJVPZ-UHFFFAOYSA-N -1 1 419.459 2.806 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806207998 1079493463 /nfs/dbraw/zinc/49/34/63/1079493463.db2.gz ARNYROLYSMVTKA-HUBLWGQQSA-N -1 1 410.400 2.577 20 0 HFADMM CCOC(=O)C1=C(CSc2nc(C3CC3)cc(=O)[n-]2)NC(=O)N[C@@H]1c1ccco1 ZINC000787486050 1076843269 /nfs/dbraw/zinc/84/32/69/1076843269.db2.gz JNZJVFYCHAJEMG-MRXNPFEDSA-N -1 1 416.459 2.616 20 0 HFADMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCCC2(C1)OCCO2 ZINC000772701819 1076850186 /nfs/dbraw/zinc/85/01/86/1076850186.db2.gz VKKRQFVHAYDHFM-UHFFFAOYSA-N -1 1 420.462 2.606 20 0 HFADMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1nnnn1C ZINC000787563790 1076865635 /nfs/dbraw/zinc/86/56/35/1076865635.db2.gz AOUFXBPEYAFCEK-NSHDSACASA-N -1 1 421.866 2.582 20 0 HFADMM C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)[C@H](OC1CCOCC1)c1ccccc1 ZINC000746693133 1076871220 /nfs/dbraw/zinc/87/12/20/1076871220.db2.gz LUJLRSWISXRGQC-BBRMVZONSA-N -1 1 413.927 2.677 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)c3nnnn3C)cc2)c1 ZINC000787579477 1076871656 /nfs/dbraw/zinc/87/16/56/1076871656.db2.gz MCPVHLJMEMVHQP-AWEZNQCLSA-N -1 1 415.475 2.546 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)c3nnnn3C)ccc2C)c1 ZINC000787618641 1076880831 /nfs/dbraw/zinc/88/08/31/1076880831.db2.gz HMXSSWHCPPSDPI-CQSZACIVSA-N -1 1 415.475 2.546 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)c1nnnn1C1CCCCC1 ZINC000787679845 1076908988 /nfs/dbraw/zinc/90/89/88/1076908988.db2.gz YIRIXAXWLRAWDD-AWEZNQCLSA-N -1 1 413.482 2.780 20 0 HFADMM COCCN(Cc1ccnn1C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000787860430 1076984073 /nfs/dbraw/zinc/98/40/73/1076984073.db2.gz YSJYWABBMGLRPU-UHFFFAOYSA-N -1 1 404.467 2.762 20 0 HFADMM O=C(NCCCCO)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000787925731 1076999925 /nfs/dbraw/zinc/99/99/25/1076999925.db2.gz MHPWGUBEZYGGAW-UHFFFAOYSA-N -1 1 400.859 2.782 20 0 HFADMM O=S(=O)([N-]C[C@H](O)c1ccccn1)c1cc(Cl)c(Br)cc1F ZINC000788073207 1077052972 /nfs/dbraw/zinc/05/29/72/1077052972.db2.gz NEEOZKKMYBYIND-LBPRGKRZSA-N -1 1 409.664 2.649 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3nccn3C)cc2)ccc1F ZINC000788195677 1077076215 /nfs/dbraw/zinc/07/62/15/1077076215.db2.gz NNSAFOLYSVYJOI-UHFFFAOYSA-N -1 1 402.451 2.945 20 0 HFADMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)C(OC)OC ZINC000788197854 1077076974 /nfs/dbraw/zinc/07/69/74/1077076974.db2.gz KRRNDEOPWIRKPG-GOSISDBHSA-N -1 1 406.504 2.923 20 0 HFADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C(OC)OC ZINC000788199358 1077077725 /nfs/dbraw/zinc/07/77/25/1077077725.db2.gz QWXAYBITMBRAJQ-SFHVURJKSA-N -1 1 406.504 2.923 20 0 HFADMM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000788416522 1077158538 /nfs/dbraw/zinc/15/85/38/1077158538.db2.gz SREFJARGFLADJG-NSHDSACASA-N -1 1 423.878 2.749 20 0 HFADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)ccc1F ZINC000788493059 1077179691 /nfs/dbraw/zinc/17/96/91/1077179691.db2.gz HINLTYIKTYWXPA-UHFFFAOYSA-N -1 1 424.450 2.689 20 0 HFADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1 ZINC000788494281 1077180061 /nfs/dbraw/zinc/18/00/61/1077180061.db2.gz NQXAZAIGXKOFGK-UHFFFAOYSA-N -1 1 407.448 2.552 20 0 HFADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(N4C(=O)NC(C)(C)C4=O)c3)ccc2O1 ZINC000788498570 1077182630 /nfs/dbraw/zinc/18/26/30/1077182630.db2.gz KMZYCJBOJZMDEU-LBPRGKRZSA-N -1 1 415.471 2.646 20 0 HFADMM CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000790903360 1077243047 /nfs/dbraw/zinc/24/30/47/1077243047.db2.gz AVMKXXOCEIRRSL-OAHLLOKOSA-N -1 1 400.483 2.886 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000746955214 1077258242 /nfs/dbraw/zinc/25/82/42/1077258242.db2.gz QTBVXVHICHCVCR-UHFFFAOYSA-N -1 1 420.421 2.783 20 0 HFADMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(=O)OCC ZINC000788710410 1077267182 /nfs/dbraw/zinc/26/71/82/1077267182.db2.gz NLEBNCHPENXCGF-VIFPVBQESA-N -1 1 413.721 2.755 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1 ZINC000788748620 1077289518 /nfs/dbraw/zinc/28/95/18/1077289518.db2.gz YDAZLYAZKKZFTA-UHFFFAOYSA-N -1 1 418.471 2.925 20 0 HFADMM C[C@@H]1CC(=O)C[C@H](C(=O)[N-]OCc2ccccc2)[C@H]1C(=O)NOCc1ccccc1 ZINC000791123655 1077293496 /nfs/dbraw/zinc/29/34/96/1077293496.db2.gz GYYYKCIFRDMBFI-CZAAIQMYSA-N -1 1 410.470 2.714 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CCC(Oc3ccc(F)nc3)CC2)c(=O)[n-]1 ZINC000791163762 1077313658 /nfs/dbraw/zinc/31/36/58/1077313658.db2.gz KGBHZQPBOJHUQZ-UHFFFAOYSA-N -1 1 406.483 2.749 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccnc1-2 ZINC000791163324 1077313890 /nfs/dbraw/zinc/31/38/90/1077313890.db2.gz BBWRDOOAXDRKAI-QGZVFWFLSA-N -1 1 420.300 2.661 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccnc1-2 ZINC000791167530 1077323951 /nfs/dbraw/zinc/32/39/51/1077323951.db2.gz REUGMXLOMLSAJG-MRXNPFEDSA-N -1 1 418.284 2.892 20 0 HFADMM C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1nnnn1C1CC1 ZINC000791291472 1077357941 /nfs/dbraw/zinc/35/79/41/1077357941.db2.gz KNYIMFMWYAVTRC-CYBMUJFWSA-N -1 1 413.459 2.727 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n[n-]1 ZINC000791283635 1077369584 /nfs/dbraw/zinc/36/95/84/1077369584.db2.gz HFPLFEOXZLPISG-OAGJVSPASA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)[n-]1 ZINC000791283635 1077369591 /nfs/dbraw/zinc/36/95/91/1077369591.db2.gz HFPLFEOXZLPISG-OAGJVSPASA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n1 ZINC000791283635 1077369598 /nfs/dbraw/zinc/36/95/98/1077369598.db2.gz HFPLFEOXZLPISG-OAGJVSPASA-N -1 1 408.462 2.841 20 0 HFADMM CCOc1c(Cl)cccc1CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000791502102 1077462928 /nfs/dbraw/zinc/46/29/28/1077462928.db2.gz JOMGKAGUAXEVJT-UHFFFAOYSA-N -1 1 405.834 2.790 20 0 HFADMM CCc1c(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)cnn1C(CC)CC ZINC000791581524 1077471304 /nfs/dbraw/zinc/47/13/04/1077471304.db2.gz NXCFUYHFNXQUNZ-UHFFFAOYSA-N -1 1 401.463 2.929 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Oc1ccc(OCC(C)C)cc1 ZINC000789530902 1077625822 /nfs/dbraw/zinc/62/58/22/1077625822.db2.gz DQOFFOKYDPUGJH-UHFFFAOYSA-N -1 1 415.490 2.900 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC[C@H]3CNC(=O)C3)c2)cc1 ZINC000792009629 1077647525 /nfs/dbraw/zinc/64/75/25/1077647525.db2.gz QTGDTMXKVMYROB-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC[C@@H]3CNC(=O)C3)c2)cc1 ZINC000792009628 1077647610 /nfs/dbraw/zinc/64/76/10/1077647610.db2.gz QTGDTMXKVMYROB-INIZCTEOSA-N -1 1 416.499 2.787 20 0 HFADMM Cc1cc2[nH]ncc2cc1NC(=O)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000792273391 1077789192 /nfs/dbraw/zinc/78/91/92/1077789192.db2.gz VYCKLAAFCJZYAO-UHFFFAOYSA-N -1 1 421.226 2.959 20 0 HFADMM Cc1cccc(-n2cc([O-])c(C(=O)OCc3ccc(S(C)(=O)=O)cc3)n2)c1C ZINC000792308665 1077799386 /nfs/dbraw/zinc/79/93/86/1077799386.db2.gz QGTHJYQGBRYJCV-UHFFFAOYSA-N -1 1 400.456 2.955 20 0 HFADMM CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170222808 1077916604 /nfs/dbraw/zinc/91/66/04/1077916604.db2.gz FSSPNULEIYRZTG-UHFFFAOYSA-N -1 1 409.642 2.561 20 0 HFADMM C[C@]1(C2CC2)NC(=O)N(c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)C1=O ZINC000790081636 1077925540 /nfs/dbraw/zinc/92/55/40/1077925540.db2.gz AXMFZVRRIXNAHC-LJQANCHMSA-N -1 1 421.425 2.991 20 0 HFADMM COc1cc2ncn(CCCC(=O)Nc3nc(Cl)ccc3[O-])c(=O)c2cc1OC ZINC000790061955 1077935898 /nfs/dbraw/zinc/93/58/98/1077935898.db2.gz CXZMWHWIBUYBOM-UHFFFAOYSA-N -1 1 418.837 2.587 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)ccc1Cl ZINC000790090487 1077945804 /nfs/dbraw/zinc/94/58/04/1077945804.db2.gz MPXORBWKRLJXII-UHFFFAOYSA-N -1 1 406.847 2.779 20 0 HFADMM C[C@@H]1CN(CCN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H](C)O1 ZINC000790121091 1077957663 /nfs/dbraw/zinc/95/76/63/1077957663.db2.gz CTZMEPDDSYQCEM-GASCZTMLSA-N -1 1 407.511 2.920 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3nc(C)n4ccccc34)c2)n1 ZINC000790159095 1077962271 /nfs/dbraw/zinc/96/22/71/1077962271.db2.gz GJSYHIKYCLPVSN-UHFFFAOYSA-N -1 1 404.430 2.535 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Cc3sc(=S)[nH]c3C)c2)n1 ZINC000790160238 1077962738 /nfs/dbraw/zinc/96/27/38/1077962738.db2.gz OTHUCKDGWWNOPN-UHFFFAOYSA-N -1 1 417.516 2.561 20 0 HFADMM O=S(=O)([N-]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)c1cc(Cl)ccc1F ZINC000790333102 1078005494 /nfs/dbraw/zinc/00/54/94/1078005494.db2.gz RFNRMIOPCKWBJM-AWEZNQCLSA-N -1 1 410.854 2.886 20 0 HFADMM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790388280 1078012549 /nfs/dbraw/zinc/01/25/49/1078012549.db2.gz ZJZNGBBAHVNTED-UHFFFAOYSA-N -1 1 413.835 2.943 20 0 HFADMM COc1ccc(CN(C)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1F ZINC000747091968 1078025001 /nfs/dbraw/zinc/02/50/01/1078025001.db2.gz NPEFUNHONUAULJ-UHFFFAOYSA-N -1 1 411.455 2.878 20 0 HFADMM C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1cccc(Br)c1 ZINC000806492522 1079744251 /nfs/dbraw/zinc/74/42/51/1079744251.db2.gz JJRDSRQKQRPKQF-LLVKDONJSA-N -1 1 404.268 2.693 20 0 HFADMM COc1cc(Br)ccc1[C@@H](C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806494052 1079744649 /nfs/dbraw/zinc/74/46/49/1079744649.db2.gz AYPYJMXUMZWJPE-SNVBAGLBSA-N -1 1 404.268 2.996 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H](c3cncc(Br)c3)C3CC3)ccnc1-2 ZINC000806483383 1079768404 /nfs/dbraw/zinc/76/84/04/1079768404.db2.gz DQNSPCRWMBAHDL-HNNXBMFYSA-N -1 1 401.268 2.772 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@H](O)c3cccc(OCc4ccccc4)c3)ccnc1-2 ZINC000806485961 1079771789 /nfs/dbraw/zinc/77/17/89/1079771789.db2.gz GLAKNZINIFKLOK-NRFANRHFSA-N -1 1 417.469 2.776 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)ccnc1-2 ZINC000806487978 1079773604 /nfs/dbraw/zinc/77/36/04/1079773604.db2.gz LEQUCSCXBSHRQS-UHFFFAOYSA-N -1 1 413.485 2.621 20 0 HFADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(=O)[n-]1 ZINC000805266802 1079900458 /nfs/dbraw/zinc/90/04/58/1079900458.db2.gz KSBVVNGNWJOAAV-JSGCOSHPSA-N -1 1 410.540 2.659 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000747357005 1080040072 /nfs/dbraw/zinc/04/00/72/1080040072.db2.gz DLLPZXOJWXSYSK-UHFFFAOYSA-N -1 1 416.909 2.795 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)ccnc1-2 ZINC000806853943 1080059366 /nfs/dbraw/zinc/05/93/66/1080059366.db2.gz XLBTXTWDTRDAMZ-LJQANCHMSA-N -1 1 405.502 2.942 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccccc3-c3ccc(Cl)cc3)ccnc1-2 ZINC000806881496 1080079381 /nfs/dbraw/zinc/07/93/81/1080079381.db2.gz FBWCXVVAZAGORN-UHFFFAOYSA-N -1 1 419.872 2.917 20 0 HFADMM C[C@H](CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806926574 1080094598 /nfs/dbraw/zinc/09/45/98/1080094598.db2.gz ZYWFBSAGDDHHQQ-GFCCVEGCSA-N -1 1 419.407 2.609 20 0 HFADMM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806926130 1080095062 /nfs/dbraw/zinc/09/50/62/1080095062.db2.gz MBVRGPRMAAMJNO-LJQANCHMSA-N -1 1 423.517 2.973 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H](C)c1ccccc1C(F)(F)F ZINC000806956046 1080122262 /nfs/dbraw/zinc/12/22/62/1080122262.db2.gz XUHNYGMBZBQQAH-NWDGAFQWSA-N -1 1 419.407 2.608 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](c3cccc(Cl)c3)C3CCCC3)ccnc1-2 ZINC000806945273 1080154403 /nfs/dbraw/zinc/15/44/03/1080154403.db2.gz JRCJVIPRLKLVLF-GOSISDBHSA-N -1 1 411.893 2.981 20 0 HFADMM CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000807002595 1080180543 /nfs/dbraw/zinc/18/05/43/1080180543.db2.gz MSRRCOJZWZRNPZ-UHFFFAOYSA-N -1 1 414.469 2.555 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCC[C@@H]3CCCc3ccccc3)ccnc1-2 ZINC000807023737 1080217913 /nfs/dbraw/zinc/21/79/13/1080217913.db2.gz CZHHWNVZCVLNAP-GOSISDBHSA-N -1 1 405.502 2.684 20 0 HFADMM CC(C)SCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130902613 1080489105 /nfs/dbraw/zinc/48/91/05/1080489105.db2.gz XUIZKMNKKUXBJG-AAEUAGOBSA-N -1 1 412.474 2.508 20 0 HFADMM Cc1cc2cc(NC(=O)C(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)ccc2[nH]1 ZINC000807491752 1080681792 /nfs/dbraw/zinc/68/17/92/1080681792.db2.gz BLTWMXYMXPTRJK-PKWAYOAASA-N -1 1 424.423 2.719 20 0 HFADMM Cc1cc(Cl)ccc1NC(=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807493616 1080686337 /nfs/dbraw/zinc/68/63/37/1080686337.db2.gz XFVBBDAXRXRIRB-CHIMOYNISA-N -1 1 419.831 2.891 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000747405099 1080786496 /nfs/dbraw/zinc/78/64/96/1080786496.db2.gz KBVMRDCAPQFSBD-UHFFFAOYSA-N -1 1 404.492 2.555 20 0 HFADMM COc1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c(Cl)c1OC ZINC000426753082 1126087488 /nfs/dbraw/zinc/08/74/88/1126087488.db2.gz GQWNVVGJDGGBHJ-SNVBAGLBSA-N -1 1 407.776 2.816 20 0 HFADMM C[C@@H]1CN(Cc2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1 ZINC000780392037 939114379 /nfs/dbraw/zinc/11/43/79/939114379.db2.gz IJNMQUHYZIDAKV-CALCHBBNSA-N -1 1 403.523 2.883 20 0 HFADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000780395621 939115265 /nfs/dbraw/zinc/11/52/65/939115265.db2.gz UHSAYEOLWUNRQU-NRFANRHFSA-N -1 1 410.518 2.632 20 0 HFADMM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000780505069 939129294 /nfs/dbraw/zinc/12/92/94/939129294.db2.gz CSYYXFFKGKNITL-MGPUTAFESA-N -1 1 414.481 2.764 20 0 HFADMM COc1ccc([C@@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1Br ZINC000797723516 939186127 /nfs/dbraw/zinc/18/61/27/939186127.db2.gz CNWSTBCRLOGSEN-IUODEOHRSA-N -1 1 423.267 2.683 20 0 HFADMM CCN(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1cccc(OC)c1 ZINC000790516339 1078049368 /nfs/dbraw/zinc/04/93/68/1078049368.db2.gz ZVRZQRCUXKYAQJ-GOSISDBHSA-N -1 1 424.494 2.894 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000746934246 1078075470 /nfs/dbraw/zinc/07/54/70/1078075470.db2.gz CDKARQWNAJZCFN-INIZCTEOSA-N -1 1 422.485 2.895 20 0 HFADMM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746934991 1078080374 /nfs/dbraw/zinc/08/03/74/1078080374.db2.gz IKPWNVKBFANFAV-CVEARBPZSA-N -1 1 402.495 2.707 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000746936124 1078082824 /nfs/dbraw/zinc/08/28/24/1078082824.db2.gz YZYIILXXKDARQH-INIZCTEOSA-N -1 1 422.485 2.501 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000746937299 1078084254 /nfs/dbraw/zinc/08/42/54/1078084254.db2.gz VVFSIUOYNZBXRN-LHSJRXKWSA-N -1 1 416.522 2.811 20 0 HFADMM CN(CCO)c1ccc(NC(=O)c2cc(I)ccc2[O-])cc1 ZINC000790826545 1078157751 /nfs/dbraw/zinc/15/77/51/1078157751.db2.gz LYPJDZKUYYXNRK-UHFFFAOYSA-N -1 1 412.227 2.678 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)c1 ZINC000793407407 1078158247 /nfs/dbraw/zinc/15/82/47/1078158247.db2.gz GUYOPMUDGYICGJ-IBGZPJMESA-N -1 1 419.499 2.924 20 0 HFADMM CCc1nc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n[nH]1 ZINC000793411525 1078159490 /nfs/dbraw/zinc/15/94/90/1078159490.db2.gz JUGQAMITULFADC-UHFFFAOYSA-N -1 1 404.423 2.981 20 0 HFADMM COCc1nsc([N-]C(=O)c2nc(Br)ccc2Br)n1 ZINC000790882889 1078170084 /nfs/dbraw/zinc/17/00/84/1078170084.db2.gz RUVKMCGMITZAFD-UHFFFAOYSA-N -1 1 408.075 2.857 20 0 HFADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(N4C(=O)CNC4=O)c3)cc2s1 ZINC000793432650 1078171067 /nfs/dbraw/zinc/17/10/67/1078171067.db2.gz QHLTUQNLRLGURO-UHFFFAOYSA-N -1 1 420.447 2.601 20 0 HFADMM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000793765768 1078282585 /nfs/dbraw/zinc/28/25/85/1078282585.db2.gz MFNGSNLQHQMZPL-HUUCEWRRSA-N -1 1 400.541 2.939 20 0 HFADMM CN(CCC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(=O)OCc1ccccc1 ZINC000793769053 1078283156 /nfs/dbraw/zinc/28/31/56/1078283156.db2.gz NXSCQYOYUUTYAC-UHFFFAOYSA-N -1 1 423.466 2.794 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793940536 1078352625 /nfs/dbraw/zinc/35/26/25/1078352625.db2.gz HFRDFKNNHJDPBB-OKILXGFUSA-N -1 1 412.833 2.971 20 0 HFADMM Cc1ccc2nc([N-]S(=O)(=O)c3ccccc3S(=O)(=O)C(F)F)[nH]c2c1 ZINC000794071568 1078368246 /nfs/dbraw/zinc/36/82/46/1078368246.db2.gz SWHPRMJCGJWXRX-UHFFFAOYSA-N -1 1 401.416 2.668 20 0 HFADMM CC(C)C[C@@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000794223133 1078387371 /nfs/dbraw/zinc/38/73/71/1078387371.db2.gz TZYPTZXGPRLIFB-LJQANCHMSA-N -1 1 422.323 2.767 20 0 HFADMM C[C@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000794319804 1078412398 /nfs/dbraw/zinc/41/23/98/1078412398.db2.gz ZAHSGCFUNVELRE-GTNSWQLSSA-N -1 1 418.368 2.523 20 0 HFADMM C/C=C\COC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000804731642 1078589318 /nfs/dbraw/zinc/58/93/18/1078589318.db2.gz PCARRHZCDSPAQA-RXYHWBRQSA-N -1 1 401.488 2.842 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(c2ccccc2)=NO1)C(F)(F)F ZINC001129895343 1078589710 /nfs/dbraw/zinc/58/97/10/1078589710.db2.gz DHSRVGDDVXPTIQ-MAUKXSAKSA-N -1 1 417.387 2.816 20 0 HFADMM CC[C@]1(c2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2)CCC(=O)NC1=O ZINC000747212412 1078601835 /nfs/dbraw/zinc/60/18/35/1078601835.db2.gz AYKHOKPIZBPCCM-JOCHJYFZSA-N -1 1 410.474 2.951 20 0 HFADMM CC[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001129757321 1078701077 /nfs/dbraw/zinc/70/10/77/1078701077.db2.gz CWUCHIVRKMKESQ-HNNXBMFYSA-N -1 1 413.869 2.958 20 0 HFADMM COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000804883409 1078710296 /nfs/dbraw/zinc/71/02/96/1078710296.db2.gz FQGPRNYPIMSJGZ-AWEZNQCLSA-N -1 1 412.870 2.670 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCOc2cccc(C)c2)c(Br)n1C ZINC000804942752 1078769811 /nfs/dbraw/zinc/76/98/11/1078769811.db2.gz NEUBODIAFSXCJS-UHFFFAOYSA-N -1 1 402.314 2.547 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(Br)n1C ZINC000804978086 1078813937 /nfs/dbraw/zinc/81/39/37/1078813937.db2.gz IRSXMICBSOXUSO-GFCCVEGCSA-N -1 1 400.298 2.683 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccc(-n3ccnc3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805003118 1078848695 /nfs/dbraw/zinc/84/86/95/1078848695.db2.gz KEKKHODGDPOPTG-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)c(Br)n1C ZINC000805007285 1078852430 /nfs/dbraw/zinc/85/24/30/1078852430.db2.gz PORRHQDSSHNINZ-UHFFFAOYSA-N -1 1 414.325 2.901 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001130061113 1078858917 /nfs/dbraw/zinc/85/89/17/1078858917.db2.gz MNIAUQPREHABRH-MJGOQNOKSA-N -1 1 416.566 2.935 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(Br)n1C ZINC000805063634 1078874692 /nfs/dbraw/zinc/87/46/92/1078874692.db2.gz RYMGAWDQHQLUKZ-UONOGXRCSA-N -1 1 414.325 2.690 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c(Br)n1C ZINC000805055419 1078869074 /nfs/dbraw/zinc/86/90/74/1078869074.db2.gz WGPFHIMSQLAQOP-ZIAGYGMSSA-N -1 1 414.325 2.547 20 0 HFADMM CCC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@@H](O)c1ccccc1 ZINC000805085983 1078915030 /nfs/dbraw/zinc/91/50/30/1078915030.db2.gz XTIODWNPNFDQSW-KGLIPLIRSA-N -1 1 416.341 2.672 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c(Br)n1C ZINC000805086725 1078915806 /nfs/dbraw/zinc/91/58/06/1078915806.db2.gz HXGOOWMQNBGAPR-NWDGAFQWSA-N -1 1 404.717 2.979 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cccc2nccnc21)C(F)(F)F ZINC001130086995 1078923463 /nfs/dbraw/zinc/92/34/63/1078923463.db2.gz KUODGJJZVICOLK-ZDUSSCGKSA-N -1 1 400.360 2.880 20 0 HFADMM Cc1ccn2cc(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)nc2c1 ZINC000805138519 1078935723 /nfs/dbraw/zinc/93/57/23/1078935723.db2.gz XBNCMDSTTNKJEW-XEZPLFJOSA-N -1 1 411.428 2.630 20 0 HFADMM C[C@H]1CCN(C(=O)NCCCC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805167396 1078956477 /nfs/dbraw/zinc/95/64/77/1078956477.db2.gz FKLFHAWAHQEQRE-OBJOEFQTSA-N -1 1 409.449 2.595 20 0 HFADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000805257031 1079000477 /nfs/dbraw/zinc/00/04/77/1079000477.db2.gz OBAICSZDTABAEG-UHFFFAOYSA-N -1 1 414.842 2.927 20 0 HFADMM COc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c(C)c1OC ZINC000805594015 1079169847 /nfs/dbraw/zinc/16/98/47/1079169847.db2.gz ZNVXOQAMRRYYHV-UHFFFAOYSA-N -1 1 423.368 2.727 20 0 HFADMM CCOc1ccc(NC(=O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805786303 1079253139 /nfs/dbraw/zinc/25/31/39/1079253139.db2.gz UPBNCQGDCPQUJZ-DCGLDWPTSA-N -1 1 401.429 2.801 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)N(C)C1CC1 ZINC000805829944 1079300378 /nfs/dbraw/zinc/30/03/78/1079300378.db2.gz UNMCKWNMBLSINJ-YJBOKZPZSA-N -1 1 413.440 2.500 20 0 HFADMM CC(=O)c1cccc(OCC(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)c1 ZINC000806016486 1079390765 /nfs/dbraw/zinc/39/07/65/1079390765.db2.gz FLGYCJRMGITAGT-UHFFFAOYSA-N -1 1 407.426 2.920 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(N2CCOCC2)cc1 ZINC000806016117 1079390998 /nfs/dbraw/zinc/39/09/98/1079390998.db2.gz MMIVHMGZIZSSPG-UHFFFAOYSA-N -1 1 420.469 2.789 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000806017157 1079392238 /nfs/dbraw/zinc/39/22/38/1079392238.db2.gz VERRUHXGEILFMO-AWEZNQCLSA-N -1 1 400.479 2.579 20 0 HFADMM COC(=O)[C@@H]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@@H]1C ZINC000787512016 1076830714 /nfs/dbraw/zinc/83/07/14/1076830714.db2.gz IYUFSFVHTGTCAH-MWLCHTKSSA-N -1 1 404.341 2.527 20 0 HFADMM CC[C@@H](CN(C)C(=O)CCn1cc[n-]c(=O)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787521804 1076846144 /nfs/dbraw/zinc/84/61/44/1076846144.db2.gz GCOXDFGDDOCXRC-LBPRGKRZSA-N -1 1 414.289 2.550 20 0 HFADMM C[C@@H](O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000787591469 1076862821 /nfs/dbraw/zinc/86/28/21/1076862821.db2.gz LVUSXGPMPUWKBH-LLVKDONJSA-N -1 1 414.277 2.788 20 0 HFADMM CCOc1cc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc(Cl)c1[O-] ZINC000787798450 1076948686 /nfs/dbraw/zinc/94/86/86/1076948686.db2.gz MHSAZTOZIXIPMQ-UHFFFAOYSA-N -1 1 415.899 2.636 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n[n-]1 ZINC000787906136 1076989495 /nfs/dbraw/zinc/98/94/95/1076989495.db2.gz MCEHIRBUQQQXBS-UHFFFAOYSA-N -1 1 404.348 2.996 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)n1 ZINC000787906136 1076989498 /nfs/dbraw/zinc/98/94/98/1076989498.db2.gz MCEHIRBUQQQXBS-UHFFFAOYSA-N -1 1 404.348 2.996 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)n[n-]1 ZINC000787907415 1076989802 /nfs/dbraw/zinc/98/98/02/1076989802.db2.gz ZZDHTZSYNSNXNY-GOSISDBHSA-N -1 1 418.457 2.605 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)n1 ZINC000787907415 1076989804 /nfs/dbraw/zinc/98/98/04/1076989804.db2.gz ZZDHTZSYNSNXNY-GOSISDBHSA-N -1 1 418.457 2.605 20 0 HFADMM C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)NC(=O)Nc1ccccc1 ZINC000787955091 1077007927 /nfs/dbraw/zinc/00/79/27/1077007927.db2.gz JFSYCXLCBIKJTO-LBPRGKRZSA-N -1 1 412.377 2.611 20 0 HFADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C1CC1 ZINC000788063877 1077047829 /nfs/dbraw/zinc/04/78/29/1077047829.db2.gz YVWISDFPYBAKRO-NSHDSACASA-N -1 1 414.680 2.862 20 0 HFADMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)OCCO1 ZINC000788077827 1077053631 /nfs/dbraw/zinc/05/36/31/1077053631.db2.gz YZVNIXWEYZTJSG-UHFFFAOYSA-N -1 1 402.669 2.673 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NOC[C@@H]3CCOC3)ccc2C)c1 ZINC000788119095 1077058915 /nfs/dbraw/zinc/05/89/15/1077058915.db2.gz COGKOEPAJYJZIR-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000788220187 1077082246 /nfs/dbraw/zinc/08/22/46/1077082246.db2.gz KCCHKUKCCMQEIV-UHFFFAOYSA-N -1 1 423.299 2.619 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=S)NCCc3ccccc3)c2)n1 ZINC000788331546 1077104952 /nfs/dbraw/zinc/10/49/52/1077104952.db2.gz ICAUHBCKICQOMS-UHFFFAOYSA-N -1 1 409.515 2.855 20 0 HFADMM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1 ZINC000788495542 1077181468 /nfs/dbraw/zinc/18/14/68/1077181468.db2.gz PLBDVOVEKDZIRD-UHFFFAOYSA-N -1 1 418.924 2.658 20 0 HFADMM CN1C(=O)CC[C@H](C(=O)[N-]OC[C@H]2CCOC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000788571348 1077209415 /nfs/dbraw/zinc/20/94/15/1077209415.db2.gz PPWUAJCXHHJHFL-YLQAJVPDSA-N -1 1 400.397 2.699 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1c1ccc(OC)cc1 ZINC000788572587 1077210247 /nfs/dbraw/zinc/21/02/47/1077210247.db2.gz VPAYYVNLCYWZFK-LKUPVBHCSA-N -1 1 404.507 2.859 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1 ZINC000788740863 1077286314 /nfs/dbraw/zinc/28/63/14/1077286314.db2.gz DOIGICVXDWOXHJ-UHFFFAOYSA-N -1 1 404.444 2.929 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)OC)cc2)c1 ZINC000788749426 1077289829 /nfs/dbraw/zinc/28/98/29/1077289829.db2.gz UOUSDRDFPNWBHM-UHFFFAOYSA-N -1 1 406.460 2.606 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)c2)n1 ZINC000788848825 1077319358 /nfs/dbraw/zinc/31/93/58/1077319358.db2.gz CAFYHIMIPVSJDQ-LBPRGKRZSA-N -1 1 412.277 2.641 20 0 HFADMM O=S(=O)([N-]C[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)c(F)c1Cl ZINC000788897894 1077343737 /nfs/dbraw/zinc/34/37/37/1077343737.db2.gz ZTWRLOAARJKCQI-SNVBAGLBSA-N -1 1 412.241 2.990 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)N[C@@H]3CC[C@H](SC)C3)c2)n1 ZINC000789043582 1077392737 /nfs/dbraw/zinc/39/27/37/1077392737.db2.gz GHHGAACLTYQGGP-CABCVRRESA-N -1 1 403.508 2.732 20 0 HFADMM Cc1cc(C)c(N2CC[C@H](OC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)C2=O)c(C)c1 ZINC000789043965 1077393463 /nfs/dbraw/zinc/39/34/63/1077393463.db2.gz BEZSAKPPZAWDBY-SFHVURJKSA-N -1 1 422.485 2.868 20 0 HFADMM O=C(Nc1ccnn1C1CCCC1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000746784801 1077397680 /nfs/dbraw/zinc/39/76/80/1077397680.db2.gz AZEXMINPLNJOIM-UHFFFAOYSA-N -1 1 410.474 2.764 20 0 HFADMM CCN1CN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)CC1=O ZINC000791991757 1077616819 /nfs/dbraw/zinc/61/68/19/1077616819.db2.gz XRRBEYSIOCUVEM-UHFFFAOYSA-N -1 1 421.906 2.711 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCC[C@H]1CNC(=O)C1 ZINC000791997922 1077642173 /nfs/dbraw/zinc/64/21/73/1077642173.db2.gz QYSMISVKVOFIKU-CQSZACIVSA-N -1 1 420.462 2.618 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000789922577 1077848214 /nfs/dbraw/zinc/84/82/14/1077848214.db2.gz JALIWGKNPBOGAI-UHFFFAOYSA-N -1 1 403.236 2.667 20 0 HFADMM O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1nc(Cl)ccc1[O-] ZINC000789932180 1077877693 /nfs/dbraw/zinc/87/76/93/1077877693.db2.gz SUQFTDAUCNFOLS-UHFFFAOYSA-N -1 1 423.654 2.942 20 0 HFADMM CCOC(CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)OCC ZINC000789973077 1077902401 /nfs/dbraw/zinc/90/24/01/1077902401.db2.gz BQHMXKGTYCCUIZ-UHFFFAOYSA-N -1 1 406.504 2.893 20 0 HFADMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc(Cl)nc4c(Br)cccc34)c2[nH]1 ZINC001170216863 1077909829 /nfs/dbraw/zinc/90/98/29/1077909829.db2.gz CXVFJARVRHWSJQ-UHFFFAOYSA-N -1 1 408.603 2.818 20 0 HFADMM Cc1c(Br)cnc(Br)c1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170220399 1077910721 /nfs/dbraw/zinc/91/07/21/1077910721.db2.gz XWGFAXLIKIRVNO-UHFFFAOYSA-N -1 1 416.033 2.688 20 0 HFADMM O=c1nc2nc[nH]c2c(Nc2ccc3ccn(S(=O)(=O)c4ccccc4)c3c2)[n-]1 ZINC001170231502 1077913576 /nfs/dbraw/zinc/91/35/76/1077913576.db2.gz CAMMRGJBSHSQSL-UHFFFAOYSA-N -1 1 406.427 2.994 20 0 HFADMM COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nc(Cl)ccc2[O-])c(OC)c1 ZINC000790047227 1077928209 /nfs/dbraw/zinc/92/82/09/1077928209.db2.gz AVLDLEDLXONIHD-ZDUSSCGKSA-N -1 1 405.838 2.701 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1sccc1S(=O)(=O)N1CCCCC1 ZINC000790056987 1077934511 /nfs/dbraw/zinc/93/45/11/1077934511.db2.gz RQPGYDJHTIWOTH-UHFFFAOYSA-N -1 1 401.897 2.929 20 0 HFADMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000792619388 1077944140 /nfs/dbraw/zinc/94/41/40/1077944140.db2.gz WXSOFHUCRJDFME-CYBMUJFWSA-N -1 1 419.526 2.746 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@H](O)c3cccc(F)c3)c2)n1 ZINC000790159791 1077961971 /nfs/dbraw/zinc/96/19/71/1077961971.db2.gz KVPJYVUYTDDZBF-QGZVFWFLSA-N -1 1 412.421 2.527 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3c(CC)nn(C)c3Cl)c2)n1 ZINC000790160307 1077962752 /nfs/dbraw/zinc/96/27/52/1077962752.db2.gz QRTLXXVUXSRZQQ-UHFFFAOYSA-N -1 1 416.869 2.528 20 0 HFADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1 ZINC000790351674 1078002051 /nfs/dbraw/zinc/00/20/51/1078002051.db2.gz ZGVXOVJOCVTDNH-UHFFFAOYSA-N -1 1 401.488 2.706 20 0 HFADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000790341531 1078007426 /nfs/dbraw/zinc/00/74/26/1078007426.db2.gz RMXNPBXKJJHKOQ-UHFFFAOYSA-N -1 1 404.366 2.861 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1C(=O)[O-] ZINC000790389330 1078012857 /nfs/dbraw/zinc/01/28/57/1078012857.db2.gz KUSSWQLCXRGJSA-UHFFFAOYSA-N -1 1 408.823 2.633 20 0 HFADMM Cc1nc(CS(=O)(=O)[N-]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000790392103 1078013471 /nfs/dbraw/zinc/01/34/71/1078013471.db2.gz XNAYGHGYXYZECX-CYBMUJFWSA-N -1 1 414.858 2.974 20 0 HFADMM CC(C)CC[C@@H](NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)C ZINC000806317446 1079552300 /nfs/dbraw/zinc/55/23/00/1079552300.db2.gz IFRFJEUCBHXTRX-OAHLLOKOSA-N -1 1 421.504 2.871 20 0 HFADMM C[C@@H](COc1ccccc1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806473056 1079703498 /nfs/dbraw/zinc/70/34/98/1079703498.db2.gz SPKVKZMCRQRCRO-YXWQFLTLSA-N -1 1 401.429 2.941 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4ccccc4C(F)(F)F)C3)ccnc1-2 ZINC000806489942 1079740278 /nfs/dbraw/zinc/74/02/78/1079740278.db2.gz JAUXQNWFUTUFOQ-GFCCVEGCSA-N -1 1 404.396 2.761 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@@H](c4ccccc4Br)C3)ccnc1-2 ZINC000806493512 1079745546 /nfs/dbraw/zinc/74/55/46/1079745546.db2.gz WYDZAJUAOGUCCV-MRXNPFEDSA-N -1 1 416.279 2.710 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccc(N3CCC3=O)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806509255 1079759267 /nfs/dbraw/zinc/75/92/67/1079759267.db2.gz KGDIFWICVCDZLV-MKBNYLNASA-N -1 1 412.412 2.733 20 0 HFADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)N=c1ccnc3n(C)[n-]cc1-3)O[C@H](C)C2 ZINC000806481113 1079766958 /nfs/dbraw/zinc/76/69/58/1079766958.db2.gz IQJUODXHQBQOCO-UVBSCNOISA-N -1 1 407.474 2.742 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)ccnc1-2 ZINC000806482293 1079767378 /nfs/dbraw/zinc/76/73/78/1079767378.db2.gz VTQAIAKYNZXEJG-FQEVSTJZSA-N -1 1 414.469 2.713 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@](O)(c3ccc(Cl)cc3)C(F)(F)F)ccnc1-2 ZINC000806484077 1079769921 /nfs/dbraw/zinc/76/99/21/1079769921.db2.gz BEPOGKIUEUEGBD-INIZCTEOSA-N -1 1 413.787 2.567 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)ccnc1-2 ZINC000806484285 1079771127 /nfs/dbraw/zinc/77/11/27/1079771127.db2.gz IEJHIOZEWGOIBM-OAQYLSRUSA-N -1 1 414.510 2.597 20 0 HFADMM Cc1ccccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130700582 1079900523 /nfs/dbraw/zinc/90/05/23/1079900523.db2.gz DHBKCXFNHXKTQF-GJZGRUSLSA-N -1 1 414.424 2.988 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C=C1CCCC1 ZINC001130701806 1079902181 /nfs/dbraw/zinc/90/21/81/1079902181.db2.gz XPEWAXLJNVXGGG-ZFWWWQNUSA-N -1 1 404.429 2.867 20 0 HFADMM O=C([N-]CC1CCN(C(=O)Nc2nc(C3CCOCC3)cs2)CC1)C(F)(F)F ZINC000806729374 1079952981 /nfs/dbraw/zinc/95/29/81/1079952981.db2.gz MPCQGGJEDJSZBN-UHFFFAOYSA-N -1 1 420.457 2.960 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@@H]2OCCc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806797313 1080016171 /nfs/dbraw/zinc/01/61/71/1080016171.db2.gz KYSFIFMCDJMJEI-PYTWLRIVSA-N -1 1 413.440 2.787 20 0 HFADMM CCO[C@H]1C[C@@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C12CCC2 ZINC000806860045 1080063543 /nfs/dbraw/zinc/06/35/43/1080063543.db2.gz FUVQXGMBXKFNDH-RMEBNNNOSA-N -1 1 405.461 2.821 20 0 HFADMM CCC[C@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cccc(C(F)(F)F)c1 ZINC000806881715 1080078942 /nfs/dbraw/zinc/07/89/42/1080078942.db2.gz IUKLEDCBCCGEEI-HNNXBMFYSA-N -1 1 419.407 2.957 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3cccc(OCCc4ccccc4)c3)ccnc1-2 ZINC000806996407 1080174536 /nfs/dbraw/zinc/17/45/36/1080174536.db2.gz AECXSMFDQQZWSO-UHFFFAOYSA-N -1 1 415.453 2.541 20 0 HFADMM CCC(C)(C)OCc1cccc(NC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C ZINC000807020474 1080215612 /nfs/dbraw/zinc/21/56/12/1080215612.db2.gz XPINMODDSOIKBG-UHFFFAOYSA-N -1 1 409.490 2.933 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@@H]3/C=C/c3cccs3)ccnc1-2 ZINC000807025969 1080220354 /nfs/dbraw/zinc/22/03/54/1080220354.db2.gz GFBLMYPOTDZICC-SHVAVOBPSA-N -1 1 409.515 2.826 20 0 HFADMM CCc1c([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)onc1C(F)(F)F ZINC000807271193 1080423946 /nfs/dbraw/zinc/42/39/46/1080423946.db2.gz OBSNLULEXJUMJY-UHFFFAOYSA-N -1 1 407.370 2.886 20 0 HFADMM CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1C ZINC000807493724 1080685671 /nfs/dbraw/zinc/68/56/71/1080685671.db2.gz MHYOCDQNBRYCPR-XEZPLFJOSA-N -1 1 413.440 2.800 20 0 HFADMM CSc1ccccc1NC(=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807493496 1080686402 /nfs/dbraw/zinc/68/64/02/1080686402.db2.gz JXEAZJTZWLUUQL-MJVIPROJSA-N -1 1 417.453 2.651 20 0 HFADMM Cc1cc(C)cc(-n2ncc(CN[C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])n2)c1 ZINC000756388426 1126108908 /nfs/dbraw/zinc/10/89/08/1126108908.db2.gz NVEBBRSFIDATRN-HXUWFJFHSA-N -1 1 422.485 2.831 20 0 HFADMM Cn1c(CN[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC001255793254 1126160236 /nfs/dbraw/zinc/16/02/36/1126160236.db2.gz ITKGQHDATOAKCO-LBPRGKRZSA-N -1 1 401.776 2.685 20 0 HFADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000780392083 939114111 /nfs/dbraw/zinc/11/41/11/939114111.db2.gz JELMFBGOKFJENC-LLGFUMIMSA-N -1 1 411.502 2.921 20 0 HFADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)CC2)c1 ZINC000780394023 939115344 /nfs/dbraw/zinc/11/53/44/939115344.db2.gz FGUPQAILTGDMJE-NRFANRHFSA-N -1 1 416.566 2.840 20 0 HFADMM CCCOc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c(OC2CCCC2)c1 ZINC000790603440 1078065377 /nfs/dbraw/zinc/06/53/77/1078065377.db2.gz HGWXCHHQDXBFAZ-SFHVURJKSA-N -1 1 401.467 2.524 20 0 HFADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000746933767 1078071094 /nfs/dbraw/zinc/07/10/94/1078071094.db2.gz DUZZFZMRJVGVPE-CQSZACIVSA-N -1 1 412.446 2.563 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000746934231 1078075240 /nfs/dbraw/zinc/07/52/40/1078075240.db2.gz AWQHDQZCANQUPE-DYVFJYSZSA-N -1 1 402.495 2.565 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000746934229 1078075282 /nfs/dbraw/zinc/07/52/82/1078075282.db2.gz AWQHDQZCANQUPE-CXAGYDPISA-N -1 1 402.495 2.565 20 0 HFADMM Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(F)c1 ZINC000746934855 1078079339 /nfs/dbraw/zinc/07/93/39/1078079339.db2.gz GXOWYRNDROCUCP-UHFFFAOYSA-N -1 1 400.410 2.614 20 0 HFADMM CC(C)N1CC[C@@H](OC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1=O ZINC000746936963 1078087042 /nfs/dbraw/zinc/08/70/42/1078087042.db2.gz SJPSCSROGNERRN-GOSISDBHSA-N -1 1 402.472 2.654 20 0 HFADMM O=C([N-]S(=O)(=O)c1cccc(Cl)c1Br)c1ccc2cncn2c1 ZINC000793283301 1078118031 /nfs/dbraw/zinc/11/80/31/1078118031.db2.gz YUFJJOQKQHVRSE-UHFFFAOYSA-N -1 1 414.668 2.869 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c(C)cc1F ZINC000793358174 1078146824 /nfs/dbraw/zinc/14/68/24/1078146824.db2.gz NBUIVWBIVKPMMR-UHFFFAOYSA-N -1 1 404.423 2.517 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)c1 ZINC000793364533 1078149041 /nfs/dbraw/zinc/14/90/41/1078149041.db2.gz WGSUWNMGRMMXFY-UHFFFAOYSA-N -1 1 408.432 2.599 20 0 HFADMM CCN1CCc2ccc([N-]S(=O)(=O)c3cc(COC)cc(C(=O)OC)c3)cc21 ZINC000793389318 1078164225 /nfs/dbraw/zinc/16/42/25/1078164225.db2.gz RJCHPPVVKBIKOV-UHFFFAOYSA-N -1 1 404.488 2.803 20 0 HFADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000793444535 1078173213 /nfs/dbraw/zinc/17/32/13/1078173213.db2.gz RBGBGJXLEVZLJU-UHFFFAOYSA-N -1 1 414.798 2.617 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2C)c(C)cc1F ZINC000793431143 1078169909 /nfs/dbraw/zinc/16/99/09/1078169909.db2.gz WQEWUNBITCGWOR-UHFFFAOYSA-N -1 1 421.450 2.560 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2C)c(C)cc1F ZINC000793445272 1078173606 /nfs/dbraw/zinc/17/36/06/1078173606.db2.gz UKSSYCQBCGXNGO-UHFFFAOYSA-N -1 1 413.398 2.956 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)OC)c1 ZINC000793450768 1078174914 /nfs/dbraw/zinc/17/49/14/1078174914.db2.gz AMAADENABIIYOI-UHFFFAOYSA-N -1 1 415.427 2.540 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000793464361 1078180952 /nfs/dbraw/zinc/18/09/52/1078180952.db2.gz PWCHFNWXKBCWCI-ZDUSSCGKSA-N -1 1 424.450 2.760 20 0 HFADMM CCOc1cc(/C=C\C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000793469729 1078182922 /nfs/dbraw/zinc/18/29/22/1078182922.db2.gz QXANYHOUIMHSBC-QPBFKRLHSA-N -1 1 400.397 2.721 20 0 HFADMM CCOc1cc(/C=C/C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000793469724 1078182927 /nfs/dbraw/zinc/18/29/27/1078182927.db2.gz QXANYHOUIMHSBC-IZPAUZPXSA-N -1 1 400.397 2.721 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@]3(C)CCOC3=O)cc2)c1C ZINC000794097857 1078371799 /nfs/dbraw/zinc/37/17/99/1078371799.db2.gz IKBLKBFOQJLHKY-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)C(C)(C)Sc3ccc(Br)cc3)nc2n1 ZINC001129409200 1078441994 /nfs/dbraw/zinc/44/19/94/1078441994.db2.gz OFBXNXFDQKEJNM-UHFFFAOYSA-N -1 1 422.308 2.998 20 0 HFADMM O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129488331 1078508353 /nfs/dbraw/zinc/50/83/53/1078508353.db2.gz RIRBPUMRDDUBTD-LBPRGKRZSA-N -1 1 422.350 2.858 20 0 HFADMM O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804872449 1078694465 /nfs/dbraw/zinc/69/44/65/1078694465.db2.gz CCRAAYYAOFOUSZ-OAHLLOKOSA-N -1 1 403.508 2.682 20 0 HFADMM C[C@H]1CCN(C(=O)NCCOc2ccccc2F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804860373 1078685915 /nfs/dbraw/zinc/68/59/15/1078685915.db2.gz ZQFUINZLRJGBHT-HUBLWGQQSA-N -1 1 405.392 2.692 20 0 HFADMM CC[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC001129757322 1078701019 /nfs/dbraw/zinc/70/10/19/1078701019.db2.gz CWUCHIVRKMKESQ-OAHLLOKOSA-N -1 1 413.869 2.958 20 0 HFADMM COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000804880487 1078705614 /nfs/dbraw/zinc/70/56/14/1078705614.db2.gz LQJNRZOWLFHVKP-CYBMUJFWSA-N -1 1 412.870 2.670 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)c(Br)n1C ZINC000804964965 1078802685 /nfs/dbraw/zinc/80/26/85/1078802685.db2.gz AFUZOTCQMABMMU-NSHDSACASA-N -1 1 420.716 2.947 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)c(Br)n1C ZINC000804964963 1078802798 /nfs/dbraw/zinc/80/27/98/1078802798.db2.gz AFUZOTCQMABMMU-LLVKDONJSA-N -1 1 420.716 2.947 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2F)c(Br)n1C ZINC000804967475 1078803960 /nfs/dbraw/zinc/80/39/60/1078803960.db2.gz UNXPVXXAJDYABY-QMMMGPOBSA-N -1 1 424.267 2.515 20 0 HFADMM Cc1csc([C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C2CC2)n1 ZINC000805016155 1078828263 /nfs/dbraw/zinc/82/82/63/1078828263.db2.gz YXOVNWMKLADSKA-SNVBAGLBSA-N -1 1 405.343 2.686 20 0 HFADMM Cc1nc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)sc1C ZINC000805022004 1078832487 /nfs/dbraw/zinc/83/24/87/1078832487.db2.gz FNDIPSNJYJTLPA-UHFFFAOYSA-N -1 1 414.452 2.532 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c(Br)n1C ZINC000805029683 1078841965 /nfs/dbraw/zinc/84/19/65/1078841965.db2.gz SSXPCNSQGMGENZ-CYBMUJFWSA-N -1 1 416.366 2.800 20 0 HFADMM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c1 ZINC000805053801 1078866374 /nfs/dbraw/zinc/86/63/74/1078866374.db2.gz FDEWGQGZXQPUCB-KBPBESRZSA-N -1 1 414.325 2.724 20 0 HFADMM COc1ccc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)c(Cl)c1 ZINC000805036157 1078883034 /nfs/dbraw/zinc/88/30/34/1078883034.db2.gz TXFCFVRVRQNOTM-UHFFFAOYSA-N -1 1 422.732 2.674 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c(Br)o1 ZINC000805095457 1078884319 /nfs/dbraw/zinc/88/43/19/1078884319.db2.gz YHRWHNNWKVMMIK-ZETCQYMHSA-N -1 1 423.672 2.917 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c(Br)n1C ZINC000805086271 1078916168 /nfs/dbraw/zinc/91/61/68/1078916168.db2.gz BKCCFHLXSPUGRI-XYPYZODXSA-N -1 1 402.289 2.855 20 0 HFADMM O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)[N-][C@H]2CCCC2(F)F)C1 ZINC000805144008 1078942601 /nfs/dbraw/zinc/94/26/01/1078942601.db2.gz SNGVQAMVQBWCHH-HOTGVXAUSA-N -1 1 402.463 2.895 20 0 HFADMM O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)[N-][C@@H]2CCCC2(F)F)C1 ZINC000805144040 1078942632 /nfs/dbraw/zinc/94/26/32/1078942632.db2.gz SNGVQAMVQBWCHH-JKSUJKDBSA-N -1 1 402.463 2.895 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@H]2COC3(CCCCC3)O2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805258850 1079000724 /nfs/dbraw/zinc/00/07/24/1079000724.db2.gz BJEIVSOSHIQGBY-AJNGGQMLSA-N -1 1 421.460 2.549 20 0 HFADMM Cc1ccc(C(=O)N2CCSCC2)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747263035 1079200904 /nfs/dbraw/zinc/20/09/04/1079200904.db2.gz XSEYZMVNLRNLFN-UHFFFAOYSA-N -1 1 409.533 2.798 20 0 HFADMM Cc1ccc(C(=O)N2CCSCC2)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747263035 1079200912 /nfs/dbraw/zinc/20/09/12/1079200912.db2.gz XSEYZMVNLRNLFN-UHFFFAOYSA-N -1 1 409.533 2.798 20 0 HFADMM COc1ccccc1N1CC[C@@H](N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000805786029 1079253692 /nfs/dbraw/zinc/25/36/92/1079253692.db2.gz QZMJVELRQAQJSD-LBEHMCEESA-N -1 1 413.440 2.578 20 0 HFADMM C[C@H]1CCN(CC(=O)N[C@H]2CCCc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788874 1079256537 /nfs/dbraw/zinc/25/65/37/1079256537.db2.gz PMEWNZGGICDKPN-IPQUUHLSSA-N -1 1 411.468 2.958 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCc1nc(-c2ccoc2)no1 ZINC000806015745 1079388543 /nfs/dbraw/zinc/38/85/43/1079388543.db2.gz AYTBHDHBZNUZHM-UHFFFAOYSA-N -1 1 421.413 2.914 20 0 HFADMM CCCC(=O)N1CCC[C@H](C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)C1 ZINC000806017307 1079391943 /nfs/dbraw/zinc/39/19/43/1079391943.db2.gz XOBQPTFIRKEEPZ-INIZCTEOSA-N -1 1 412.490 2.677 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cnnn1-c1cccc(F)c1 ZINC000806018662 1079392431 /nfs/dbraw/zinc/39/24/31/1079392431.db2.gz ITTIRXNSZPQOBA-UHFFFAOYSA-N -1 1 420.404 2.672 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000806020965 1079394317 /nfs/dbraw/zinc/39/43/17/1079394317.db2.gz ZHASUUWJWXOUAE-UHFFFAOYSA-N -1 1 424.432 2.598 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)ccc2C)cc1 ZINC000806069636 1079414164 /nfs/dbraw/zinc/41/41/64/1079414164.db2.gz AHVGIVCQVAJGAA-QAPCUYQASA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)c2)cc1 ZINC000806075486 1079415526 /nfs/dbraw/zinc/41/55/26/1079415526.db2.gz PTRZBBKTCUUZDO-KDOFPFPSSA-N -1 1 402.472 2.572 20 0 HFADMM Cc1cccnc1C(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000787473866 1076835681 /nfs/dbraw/zinc/83/56/81/1076835681.db2.gz QWXLOCHDCZAWQL-UHFFFAOYSA-N -1 1 411.430 2.611 20 0 HFADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ncccc2C)c1 ZINC000787485106 1076842928 /nfs/dbraw/zinc/84/29/28/1076842928.db2.gz IOUANZFNOJTSKF-UHFFFAOYSA-N -1 1 413.446 2.857 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)c3nnnn3C)c2)c1 ZINC000787563526 1076865621 /nfs/dbraw/zinc/86/56/21/1076865621.db2.gz HPCNMRWFTJXYMG-CQSZACIVSA-N -1 1 415.475 2.546 20 0 HFADMM CCCCOc1ccc(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)c([O-])c1 ZINC000787796528 1076948450 /nfs/dbraw/zinc/94/84/50/1076948450.db2.gz FLIZITDGTAOXPQ-UHFFFAOYSA-N -1 1 409.508 2.763 20 0 HFADMM O=C(NC[C@@H](O)c1ccccc1F)c1cc(I)ccc1[O-] ZINC000746709188 1076956180 /nfs/dbraw/zinc/95/61/80/1076956180.db2.gz AWPSOSZZNONQLB-CQSZACIVSA-N -1 1 401.175 2.599 20 0 HFADMM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cnc(Cl)cn1 ZINC000787899806 1077004481 /nfs/dbraw/zinc/00/44/81/1077004481.db2.gz IZIKYNJEJXWGLQ-UHFFFAOYSA-N -1 1 420.853 3.000 20 0 HFADMM COc1ccc(C(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(OC)c1 ZINC000787954465 1077007260 /nfs/dbraw/zinc/00/72/60/1077007260.db2.gz GHQDGHJDXUXSFW-UHFFFAOYSA-N -1 1 400.362 2.774 20 0 HFADMM O=C(OCCCCCO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000787970765 1077012104 /nfs/dbraw/zinc/01/21/04/1077012104.db2.gz JFIGFYCFZRZWQH-UHFFFAOYSA-N -1 1 421.471 2.578 20 0 HFADMM O=S(=O)([N-]CCOc1cccnc1)c1cc(Cl)c(Br)cc1F ZINC000788052266 1077042568 /nfs/dbraw/zinc/04/25/68/1077042568.db2.gz AYUGGPNHTGOJEE-UHFFFAOYSA-N -1 1 409.664 2.994 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)cc1 ZINC000788116525 1077058001 /nfs/dbraw/zinc/05/80/01/1077058001.db2.gz BMYQCDFIOGRDOA-OAHLLOKOSA-N -1 1 420.487 2.584 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)ccc1F ZINC000788117593 1077058413 /nfs/dbraw/zinc/05/84/13/1077058413.db2.gz ISGTWDUTAAFDKE-AWEZNQCLSA-N -1 1 408.451 2.633 20 0 HFADMM C[C@H](C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1)N1CCc2ccccc21 ZINC000788144495 1077064190 /nfs/dbraw/zinc/06/41/90/1077064190.db2.gz XHABPVIXRUWMQK-CYBMUJFWSA-N -1 1 418.396 2.539 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)c3nccn3C)c2)cc1 ZINC000788195222 1077076177 /nfs/dbraw/zinc/07/61/77/1077076177.db2.gz JDBDKEZPLMNCIB-UHFFFAOYSA-N -1 1 400.460 2.506 20 0 HFADMM CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)C(OC)OC ZINC000788199594 1077077935 /nfs/dbraw/zinc/07/79/35/1077077935.db2.gz SBBWIUFPTFJCHL-SFHVURJKSA-N -1 1 422.503 2.623 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000788453477 1077164824 /nfs/dbraw/zinc/16/48/24/1077164824.db2.gz GPAHLYFAVAIQGQ-UHFFFAOYSA-N -1 1 404.422 2.846 20 0 HFADMM O=C(CC1CCC2(CC1)OCCO2)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000788528168 1077202977 /nfs/dbraw/zinc/20/29/77/1077202977.db2.gz GKLQARLOBYXKSN-INIZCTEOSA-N -1 1 409.849 2.521 20 0 HFADMM COc1ccc(NC(=O)N[C@H](C(C)C)[C@H](O)c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000788624288 1077233112 /nfs/dbraw/zinc/23/31/12/1077233112.db2.gz MTAWRHKVIJTBTE-RTBURBONSA-N -1 1 421.519 2.946 20 0 HFADMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1Cc1ccc(F)cc1 ZINC000790936051 1077240273 /nfs/dbraw/zinc/24/02/73/1077240273.db2.gz RAHBPOJJMWTSLC-LBPRGKRZSA-N -1 1 418.277 2.607 20 0 HFADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C)c(F)c2)c(OC)c1 ZINC000788699277 1077263319 /nfs/dbraw/zinc/26/33/19/1077263319.db2.gz AYBKUVYQVPRPIS-UHFFFAOYSA-N -1 1 403.453 2.672 20 0 HFADMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)C(=O)OCC ZINC000788710408 1077267118 /nfs/dbraw/zinc/26/71/18/1077267118.db2.gz NLEBNCHPENXCGF-SECBINFHSA-N -1 1 413.721 2.755 20 0 HFADMM C=CC(=O)Nc1ccc(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)cc1 ZINC000791027377 1077275174 /nfs/dbraw/zinc/27/51/74/1077275174.db2.gz HFNXDCPEILXBRY-UHFFFAOYSA-N -1 1 419.441 2.703 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000788748598 1077289546 /nfs/dbraw/zinc/28/95/46/1077289546.db2.gz KQXIRDRDGZRXFU-UHFFFAOYSA-N -1 1 422.478 2.948 20 0 HFADMM CS(=O)(=O)c1cc(C[N-]C(=O)C(F)(F)c2nccs2)cc(C(F)(F)F)c1 ZINC000791120922 1077304799 /nfs/dbraw/zinc/30/47/99/1077304799.db2.gz SIYLSZYLZSTCGZ-UHFFFAOYSA-N -1 1 414.377 2.974 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)ccnc1-2 ZINC000791163436 1077313683 /nfs/dbraw/zinc/31/36/83/1077313683.db2.gz CXQNUABXQJJSOC-UHFFFAOYSA-N -1 1 406.467 2.568 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)n[n-]1 ZINC000791167722 1077323771 /nfs/dbraw/zinc/32/37/71/1077323771.db2.gz JCQSWBMLPHXOOV-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)[n-]1 ZINC000791167722 1077323778 /nfs/dbraw/zinc/32/37/78/1077323778.db2.gz JCQSWBMLPHXOOV-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(NC(=O)OC)cc2)n1 ZINC000791167722 1077323784 /nfs/dbraw/zinc/32/37/84/1077323784.db2.gz JCQSWBMLPHXOOV-CQSZACIVSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)n[n-]1 ZINC000791168461 1077324857 /nfs/dbraw/zinc/32/48/57/1077324857.db2.gz OLRPTBHXAGPIDZ-NSHDSACASA-N -1 1 404.858 2.800 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)[n-]1 ZINC000791168461 1077324863 /nfs/dbraw/zinc/32/48/63/1077324863.db2.gz OLRPTBHXAGPIDZ-NSHDSACASA-N -1 1 404.858 2.800 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2c(Cl)nc3ccccn32)n1 ZINC000791168461 1077324867 /nfs/dbraw/zinc/32/48/67/1077324867.db2.gz OLRPTBHXAGPIDZ-NSHDSACASA-N -1 1 404.858 2.800 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3ccc([C@H](C)O)cc3)c2)n1 ZINC000788936348 1077369520 /nfs/dbraw/zinc/36/95/20/1077369520.db2.gz AQDUNFRASMWXKQ-AWEZNQCLSA-N -1 1 423.473 2.701 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)co1 ZINC000789081695 1077399276 /nfs/dbraw/zinc/39/92/76/1077399276.db2.gz SEJQROACKPCLNN-VIFPVBQESA-N -1 1 405.350 2.635 20 0 HFADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)ccnc1Br ZINC000789738924 1077773465 /nfs/dbraw/zinc/77/34/65/1077773465.db2.gz YAWJFRGHMPCOIB-UHFFFAOYSA-N -1 1 414.281 2.920 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000789923073 1077849225 /nfs/dbraw/zinc/84/92/25/1077849225.db2.gz NULDWUGBFKNUQR-UHFFFAOYSA-N -1 1 421.219 2.939 20 0 HFADMM O=C(CS(=O)(=O)Cc1cccc(Br)c1)Nc1nc(Cl)ccc1[O-] ZINC000789931728 1077878197 /nfs/dbraw/zinc/87/81/97/1077878197.db2.gz KWVJNCWZXKUXJL-UHFFFAOYSA-N -1 1 419.684 2.757 20 0 HFADMM CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)[C@H](O)c1ccccc1 ZINC000792575684 1077914125 /nfs/dbraw/zinc/91/41/25/1077914125.db2.gz RXGFIUPJTPZTSJ-MAUKXSAKSA-N -1 1 408.520 2.989 20 0 HFADMM CCc1cc2c(COC(=O)Cc3ccccc3S(C)(=O)=O)cc(=O)oc2cc1[O-] ZINC000792583927 1077917561 /nfs/dbraw/zinc/91/75/61/1077917561.db2.gz QWCZFJZDJFIARG-UHFFFAOYSA-N -1 1 416.451 2.750 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2ncc(I)n2c1 ZINC000790047092 1077928219 /nfs/dbraw/zinc/92/82/19/1077928219.db2.gz DRRKEFCBGWYGGD-UHFFFAOYSA-N -1 1 414.590 2.945 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790050741 1077929908 /nfs/dbraw/zinc/92/99/08/1077929908.db2.gz HXBCRIWZCJELNH-UHFFFAOYSA-N -1 1 402.259 2.886 20 0 HFADMM COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)C2)c1 ZINC000792634540 1077956145 /nfs/dbraw/zinc/95/61/45/1077956145.db2.gz INDHDYPBOZNXPX-IBGZPJMESA-N -1 1 408.414 2.931 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=Cc3ccc4c(c3)OCO4)c2)n1 ZINC000790160621 1077962280 /nfs/dbraw/zinc/96/22/80/1077962280.db2.gz UGTKFOKKFBOCMS-VQHVLOKHSA-N -1 1 420.425 2.707 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=Cc3ccc(OC)c(O)c3)c2)n1 ZINC000790160185 1077962660 /nfs/dbraw/zinc/96/26/60/1077962660.db2.gz NCWYKGYBOPTPKJ-NTMALXAHSA-N -1 1 422.441 2.692 20 0 HFADMM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)no1 ZINC000790188088 1077966851 /nfs/dbraw/zinc/96/68/51/1077966851.db2.gz CQCLENCPFJMWHA-UHFFFAOYSA-N -1 1 400.884 2.788 20 0 HFADMM CNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790384397 1078011081 /nfs/dbraw/zinc/01/10/81/1078011081.db2.gz OIHMSTJCNWQIQX-UHFFFAOYSA-N -1 1 412.851 2.516 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000790385545 1078011575 /nfs/dbraw/zinc/01/15/75/1078011575.db2.gz SWZMHQGFMQZETQ-UHFFFAOYSA-N -1 1 412.851 2.549 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000790386562 1078011752 /nfs/dbraw/zinc/01/17/52/1078011752.db2.gz YWGXLXOPFCACJY-UHFFFAOYSA-N -1 1 416.814 2.945 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-n3cc[nH]c3=O)c2)cc1C(=O)[O-] ZINC000790390063 1078012698 /nfs/dbraw/zinc/01/26/98/1078012698.db2.gz AGAZVWQCNHABDM-UHFFFAOYSA-N -1 1 423.834 2.739 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790394437 1078014597 /nfs/dbraw/zinc/01/45/97/1078014597.db2.gz OBYRDYRDNSEAKG-SFTDATJTSA-N -1 1 406.486 2.970 20 0 HFADMM O=C([O-])C1(NCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CCCCC1 ZINC000772824528 1078025432 /nfs/dbraw/zinc/02/54/32/1078025432.db2.gz LYKLTOQIMXZMPJ-UHFFFAOYSA-N -1 1 411.905 2.500 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cc1C(=O)[O-] ZINC000790399568 1078025844 /nfs/dbraw/zinc/02/58/44/1078025844.db2.gz RJXTVCVJWGFLLR-UHFFFAOYSA-N -1 1 408.823 2.633 20 0 HFADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCCCN(C)C1=O ZINC001170508092 1079698623 /nfs/dbraw/zinc/69/86/23/1079698623.db2.gz HPMJGICMGGDVPD-ZDUSSCGKSA-N -1 1 406.280 2.786 20 0 HFADMM CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806491278 1079740833 /nfs/dbraw/zinc/74/08/33/1079740833.db2.gz HKTHVKBWJSMKNA-UHFFFAOYSA-N -1 1 424.505 3.000 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCCC[C@H]3CNC(=O)OC(C)(C)C)ccnc1-2 ZINC000806492362 1079742397 /nfs/dbraw/zinc/74/23/97/1079742397.db2.gz GRKBQTWZNRITFQ-DZGCQCFKSA-N -1 1 402.499 2.547 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)ccnc1-2 ZINC000806492013 1079743217 /nfs/dbraw/zinc/74/32/17/1079743217.db2.gz APPCVARZCWHNMH-OAQYLSRUSA-N -1 1 414.510 2.597 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC(C)(C)COc3ncccc3C(F)(F)F)ccnc1-2 ZINC000806492527 1079743965 /nfs/dbraw/zinc/74/39/65/1079743965.db2.gz JLRXRYXJXWSMNZ-UHFFFAOYSA-N -1 1 408.384 2.735 20 0 HFADMM C[C@H](Cc1cc(Br)ccc1F)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806481171 1079766532 /nfs/dbraw/zinc/76/65/32/1079766532.db2.gz ACZDKYQMXSHQOL-SNVBAGLBSA-N -1 1 406.259 2.996 20 0 HFADMM COC(=O)[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Cc1cccc2ccccc21 ZINC000806484216 1079770011 /nfs/dbraw/zinc/77/00/11/1079770011.db2.gz GKSJZHLEHWXUPB-KRWDZBQOSA-N -1 1 417.469 2.648 20 0 HFADMM COc1cc(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(SC)cc1OC ZINC000806488001 1079773416 /nfs/dbraw/zinc/77/34/16/1079773416.db2.gz IRYJWGXBCDQCED-UHFFFAOYSA-N -1 1 401.492 2.745 20 0 HFADMM Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000806568237 1079826517 /nfs/dbraw/zinc/82/65/17/1079826517.db2.gz QETRLTSOGUTMPC-RDTXWAMCSA-N -1 1 406.479 2.774 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC1CC1 ZINC001130701086 1079900981 /nfs/dbraw/zinc/90/09/81/1079900981.db2.gz LVIABZQSEMHCDQ-HIFRSBDPSA-N -1 1 406.445 2.947 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)ccnc1-2 ZINC000806853942 1080059264 /nfs/dbraw/zinc/05/92/64/1080059264.db2.gz XLBTXTWDTRDAMZ-IBGZPJMESA-N -1 1 405.502 2.942 20 0 HFADMM COC[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc(C)o1 ZINC000806899283 1080106055 /nfs/dbraw/zinc/10/60/55/1080106055.db2.gz YVYYDGWGFYEJLE-DNVSUFBTSA-N -1 1 405.417 2.763 20 0 HFADMM Cc1ccccc1C(NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1C ZINC000806971302 1080140259 /nfs/dbraw/zinc/14/02/59/1080140259.db2.gz YCMWNPUFSHDCCE-UHFFFAOYSA-N -1 1 413.481 2.803 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)ccnc1-2 ZINC000807002605 1080180526 /nfs/dbraw/zinc/18/05/26/1080180526.db2.gz NEBOUDWFBCQIKR-UHFFFAOYSA-N -1 1 412.881 2.563 20 0 HFADMM Cc1ccc(COc2cccc(NC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)c2)cc1 ZINC000807011836 1080209383 /nfs/dbraw/zinc/20/93/83/1080209383.db2.gz IHEGXIQTNGNZKL-UHFFFAOYSA-N -1 1 415.453 2.806 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000747368261 1080225599 /nfs/dbraw/zinc/22/55/99/1080225599.db2.gz FDVACGVWUSBURW-UHFFFAOYSA-N -1 1 403.527 2.851 20 0 HFADMM CCOC(=O)Cc1nnc([N-]C(=O)c2nc(Br)sc2C2CC2)s1 ZINC000807148184 1080304737 /nfs/dbraw/zinc/30/47/37/1080304737.db2.gz RSWZJLYIVGIXMA-UHFFFAOYSA-N -1 1 417.310 2.992 20 0 HFADMM COCC[S@@](=O)Cc1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000747392625 1080578245 /nfs/dbraw/zinc/57/82/45/1080578245.db2.gz IJVZHTIOVSRFKF-MUUNZHRXSA-N -1 1 405.520 2.936 20 0 HFADMM C[C@@]1(CCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC(=O)N1 ZINC000793046883 1078055999 /nfs/dbraw/zinc/05/59/99/1078055999.db2.gz DUFPFRJXDYFYOD-HXUWFJFHSA-N -1 1 401.488 2.875 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C ZINC000746935535 1078077372 /nfs/dbraw/zinc/07/73/72/1078077372.db2.gz MJXSKEXJEIVAJI-QKKBWIMNSA-N -1 1 416.522 2.953 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000746937799 1078088190 /nfs/dbraw/zinc/08/81/90/1078088190.db2.gz XWESELPNXBQHAE-NRFANRHFSA-N -1 1 408.458 2.547 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H]3CCN(C(C)C)C3=O)cc2)cc1 ZINC000746938332 1078090001 /nfs/dbraw/zinc/09/00/01/1078090001.db2.gz HWXRKDUZSUZUOI-LJQANCHMSA-N -1 1 416.499 2.962 20 0 HFADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c(N(C)C)c1 ZINC000790648971 1078093451 /nfs/dbraw/zinc/09/34/51/1078093451.db2.gz VTHZRIOJVYCIMY-UHFFFAOYSA-N -1 1 403.504 2.722 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H]3C(=O)OCC3(C)C)cc2)cc1 ZINC000793296955 1078120960 /nfs/dbraw/zinc/12/09/60/1078120960.db2.gz OMOGBEHIGJIYQN-QGZVFWFLSA-N -1 1 403.456 2.904 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)c(C)cc1F ZINC000793362824 1078148397 /nfs/dbraw/zinc/14/83/97/1078148397.db2.gz FGWITIAPHMWPCC-UHFFFAOYSA-N -1 1 410.423 2.689 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2C)c(C)cc1F ZINC000793402293 1078168624 /nfs/dbraw/zinc/16/86/24/1078168624.db2.gz YQPZNWAVQDTWSJ-UHFFFAOYSA-N -1 1 422.434 2.987 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C\c2ccccc2OC(F)(F)F)c1 ZINC000794125602 1078375201 /nfs/dbraw/zinc/37/52/01/1078375201.db2.gz PNMISIZRTDQLLQ-TWGQIWQCSA-N -1 1 416.377 2.851 20 0 HFADMM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000794215368 1078394514 /nfs/dbraw/zinc/39/45/14/1078394514.db2.gz FATNCSDIXPMONK-BBRMVZONSA-N -1 1 422.359 2.648 20 0 HFADMM CC(C)(NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C(=O)N1CCCC1 ZINC000794406730 1078427774 /nfs/dbraw/zinc/42/77/74/1078427774.db2.gz NSHZRXFMJFMXIT-UHFFFAOYSA-N -1 1 417.384 2.634 20 0 HFADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000804404059 1078467757 /nfs/dbraw/zinc/46/77/57/1078467757.db2.gz FJPSYJOWLWUGRG-CVEARBPZSA-N -1 1 419.488 2.625 20 0 HFADMM CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000804653007 1078481098 /nfs/dbraw/zinc/48/10/98/1078481098.db2.gz LWPYHPSILADAAD-MRXNPFEDSA-N -1 1 417.535 2.881 20 0 HFADMM CN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)c2ccc(Br)cc21 ZINC000804440214 1078504710 /nfs/dbraw/zinc/50/47/10/1078504710.db2.gz VRZLGGVYLUGKQU-UHFFFAOYSA-N -1 1 404.293 2.877 20 0 HFADMM O=C(CCc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129488327 1078508429 /nfs/dbraw/zinc/50/84/29/1078508429.db2.gz RIRBPUMRDDUBTD-GFCCVEGCSA-N -1 1 422.350 2.858 20 0 HFADMM CC[C@@](NC(=O)c1ccc2n[n-]c(=S)n2c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000804547317 1078573315 /nfs/dbraw/zinc/57/33/15/1078573315.db2.gz GDLBEXOFBPYZMG-SFHVURJKSA-N -1 1 404.879 2.880 20 0 HFADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804843253 1078682404 /nfs/dbraw/zinc/68/24/04/1078682404.db2.gz HSQNMFMKRCPQBN-TYNCELHUSA-N -1 1 405.524 2.782 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)c(Br)n1C ZINC000805017615 1078829208 /nfs/dbraw/zinc/82/92/08/1078829208.db2.gz JVJNXUHTRWDRMI-SECBINFHSA-N -1 1 422.732 2.890 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)c(Br)n1C ZINC000805017456 1078829514 /nfs/dbraw/zinc/82/95/14/1078829514.db2.gz WHUWIQMHSBLBIB-NSHDSACASA-N -1 1 402.314 2.545 20 0 HFADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C12CCCC2 ZINC000805020586 1078831597 /nfs/dbraw/zinc/83/15/97/1078831597.db2.gz OYMCFHJKGHKQEY-NWDGAFQWSA-N -1 1 406.346 2.507 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(Br)n1C ZINC000805029271 1078842585 /nfs/dbraw/zinc/84/25/85/1078842585.db2.gz ICJXQMHIFNQTOX-UHFFFAOYSA-N -1 1 416.194 2.526 20 0 HFADMM CCc1nc(CCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cs1 ZINC000805052559 1078865678 /nfs/dbraw/zinc/86/56/78/1078865678.db2.gz YCORXWACGQJAIH-MJVIPROJSA-N -1 1 406.474 2.735 20 0 HFADMM COCCC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCCCC1 ZINC000805068254 1078878807 /nfs/dbraw/zinc/87/88/07/1078878807.db2.gz HMEBLCSGEFKKHP-UHFFFAOYSA-N -1 1 408.362 2.756 20 0 HFADMM CCOCCC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCCC1 ZINC000805034696 1078880510 /nfs/dbraw/zinc/88/05/10/1078880510.db2.gz QCFHXSPHCVNGNC-UHFFFAOYSA-N -1 1 408.362 2.756 20 0 HFADMM C[C@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)Oc1ccccc1 ZINC000805113737 1078898526 /nfs/dbraw/zinc/89/85/26/1078898526.db2.gz ZQYLPUGKJQEVJH-FQLMCAECSA-N -1 1 401.429 2.941 20 0 HFADMM CCO[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000805081133 1078912462 /nfs/dbraw/zinc/91/24/62/1078912462.db2.gz QKIZQWRKELXSKW-CYBMUJFWSA-N -1 1 402.314 2.547 20 0 HFADMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805075856 1078906944 /nfs/dbraw/zinc/90/69/44/1078906944.db2.gz IOQRRPFWRNCJDJ-UHFFFAOYSA-N -1 1 414.281 2.724 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](O)c2ccccc2)c(Br)n1C ZINC000805083066 1078912486 /nfs/dbraw/zinc/91/24/86/1078912486.db2.gz JBMCRHSSPSWRCC-ZIAGYGMSSA-N -1 1 416.341 2.528 20 0 HFADMM O=C(CSCc1ccccn1)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130086631 1078922784 /nfs/dbraw/zinc/92/27/84/1078922784.db2.gz GNPQMFSYHRURIT-HNNXBMFYSA-N -1 1 409.433 2.951 20 0 HFADMM C[C@@H](CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)N(C)c1ccccc1 ZINC000805135106 1078931137 /nfs/dbraw/zinc/93/11/37/1078931137.db2.gz GAWBBRMRNSNVAK-JKQORVJESA-N -1 1 414.472 2.998 20 0 HFADMM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@@H]3CCCC3(F)F)cc21 ZINC000805143406 1078943125 /nfs/dbraw/zinc/94/31/25/1078943125.db2.gz JMYFYHOEQUOMLP-CQSZACIVSA-N -1 1 423.279 2.824 20 0 HFADMM COc1cc(C)ccc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805198880 1078971736 /nfs/dbraw/zinc/97/17/36/1078971736.db2.gz UULUCGCJTCWJSS-XEZPLFJOSA-N -1 1 401.429 2.991 20 0 HFADMM O=C(Nc1ccc([O-])c(C(=O)Nc2cccc3c2CNC3=O)c1)OCC(F)(F)F ZINC000805237860 1078978949 /nfs/dbraw/zinc/97/89/49/1078978949.db2.gz QBSIVBUDNFZWKJ-UHFFFAOYSA-N -1 1 409.320 2.999 20 0 HFADMM Cc1ccc(C(=O)NCc2cnn(C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000805212924 1078988990 /nfs/dbraw/zinc/98/89/90/1078988990.db2.gz ACLQIQJWIDMUTH-UHFFFAOYSA-N -1 1 419.894 2.508 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2CCc3ccccc3OC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805460035 1079083406 /nfs/dbraw/zinc/08/34/06/1079083406.db2.gz JAICUJJLLTVRMZ-LBEHMCEESA-N -1 1 413.440 2.867 20 0 HFADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610289 1079174120 /nfs/dbraw/zinc/17/41/20/1079174120.db2.gz YWCJGVXRNASRSJ-MEDUHNTESA-N -1 1 413.821 2.974 20 0 HFADMM C[C@H]1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805786687 1079252687 /nfs/dbraw/zinc/25/26/87/1079252687.db2.gz ZCMLOWMIFGCBGY-RUGWDSCSSA-N -1 1 415.500 2.849 20 0 HFADMM C[C@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789053 1079256045 /nfs/dbraw/zinc/25/60/45/1079256045.db2.gz XTZQYXSFWSCJMV-MJVIPROJSA-N -1 1 401.458 2.821 20 0 HFADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(CC(=O)[N-]OCc1ccccc1)C2 ZINC000805794430 1079259252 /nfs/dbraw/zinc/25/92/52/1079259252.db2.gz VAYSPTOHMXAGOJ-JOCHJYFZSA-N -1 1 403.523 2.957 20 0 HFADMM CCOC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829671 1079298936 /nfs/dbraw/zinc/29/89/36/1079298936.db2.gz PUBNCACOQVRSAT-YOEHRIQHSA-N -1 1 402.413 2.832 20 0 HFADMM CC[C@H](C)NC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830295 1079299834 /nfs/dbraw/zinc/29/98/34/1079299834.db2.gz ZGNBQNCACUCXTI-YEWWUXTCSA-N -1 1 415.456 2.794 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC000806016618 1079390270 /nfs/dbraw/zinc/39/02/70/1079390270.db2.gz YEVKPGSQNRKJMZ-CVEARBPZSA-N -1 1 401.463 2.613 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(OCC(F)F)n1 ZINC000806016729 1079390355 /nfs/dbraw/zinc/39/03/55/1079390355.db2.gz IRGPARZCFMIMRQ-UHFFFAOYSA-N -1 1 416.384 2.991 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000806016621 1079390387 /nfs/dbraw/zinc/39/03/87/1079390387.db2.gz YEVKPGSQNRKJMZ-JKSUJKDBSA-N -1 1 401.463 2.613 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(C)nc1-c1ccoc1 ZINC000806017071 1079392252 /nfs/dbraw/zinc/39/22/52/1079392252.db2.gz SFUJSCXWOLKCLV-UHFFFAOYSA-N -1 1 405.414 2.946 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000806018058 1079393055 /nfs/dbraw/zinc/39/30/55/1079393055.db2.gz PHABELWBHZLSAO-UHFFFAOYSA-N -1 1 422.470 2.809 20 0 HFADMM C[C@@H]1[C@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC(=O)N1C ZINC000806069585 1079414054 /nfs/dbraw/zinc/41/40/54/1079414054.db2.gz ZRORSMJHEXYKRW-PIGZYNQJSA-N -1 1 424.425 2.542 20 0 HFADMM NC(=O)c1c2c(sc1NC(=O)CSc1nc(C3CC3)cc(=O)[n-]1)CCCC2 ZINC000787485432 1076843483 /nfs/dbraw/zinc/84/34/83/1076843483.db2.gz CIKJPPPGQXGEQE-UHFFFAOYSA-N -1 1 404.517 2.830 20 0 HFADMM COc1ccccc1CO[N-]C(=O)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000787735315 1076935255 /nfs/dbraw/zinc/93/52/55/1076935255.db2.gz FRDLJDXGWCLJOK-HXUWFJFHSA-N -1 1 411.502 2.586 20 0 HFADMM C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1cccnc1Cl ZINC000787954326 1077007307 /nfs/dbraw/zinc/00/73/07/1077007307.db2.gz FPBLEJQESZSZBE-JTQLQIEISA-N -1 1 404.785 2.949 20 0 HFADMM COc1cc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc(OC)c1 ZINC000787954865 1077007945 /nfs/dbraw/zinc/00/79/45/1077007945.db2.gz HTOVOWDMUXPYTP-UHFFFAOYSA-N -1 1 415.377 2.530 20 0 HFADMM CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000787996214 1077022821 /nfs/dbraw/zinc/02/28/21/1077022821.db2.gz PEIHNICMTZKNQJ-KRWDZBQOSA-N -1 1 408.462 2.744 20 0 HFADMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788061453 1077045765 /nfs/dbraw/zinc/04/57/65/1077045765.db2.gz GXEOBSBNDQLHJS-UHFFFAOYSA-N -1 1 402.669 2.863 20 0 HFADMM CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC000788060921 1077046303 /nfs/dbraw/zinc/04/63/03/1077046303.db2.gz DAFMFTRPZNUKLT-UHFFFAOYSA-N -1 1 424.283 2.896 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2Cl)s1 ZINC000788063676 1077047035 /nfs/dbraw/zinc/04/70/35/1077047035.db2.gz WZYYCHRRAPUOAO-UHFFFAOYSA-N -1 1 405.885 2.504 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)cc1 ZINC000788117105 1077058423 /nfs/dbraw/zinc/05/84/23/1077058423.db2.gz FIKRFBMSDDZZOK-OAHLLOKOSA-N -1 1 420.487 2.584 20 0 HFADMM CCCCCCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)c(=O)[nH]c1=O ZINC000788488035 1077177641 /nfs/dbraw/zinc/17/76/41/1077177641.db2.gz COOWOROUVMADSY-UHFFFAOYSA-N -1 1 415.899 2.992 20 0 HFADMM COC(=O)c1sc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)c(C)c1Cl ZINC000788491343 1077179466 /nfs/dbraw/zinc/17/94/66/1077179466.db2.gz AKQWQZABPGGCBF-UHFFFAOYSA-N -1 1 412.880 2.878 20 0 HFADMM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc3ccccc3nc2Br)c1 ZINC000788554340 1077198952 /nfs/dbraw/zinc/19/89/52/1077198952.db2.gz YPVATYIINUBCKT-UHFFFAOYSA-N -1 1 422.260 2.980 20 0 HFADMM O=C(CC1CCC2(CC1)OCCO2)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000788528170 1077202926 /nfs/dbraw/zinc/20/29/26/1077202926.db2.gz GKLQARLOBYXKSN-MRXNPFEDSA-N -1 1 409.849 2.521 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(O)(C(C)C)C3)c2)cc1F ZINC000788616238 1077228864 /nfs/dbraw/zinc/22/88/64/1077228864.db2.gz CCQGIODQMJIYIT-UHFFFAOYSA-N -1 1 406.479 2.778 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CC(O)(C(C)C)C3)c2)c1 ZINC000788616740 1077229499 /nfs/dbraw/zinc/22/94/99/1077229499.db2.gz ATIREXZPHQLUOJ-UHFFFAOYSA-N -1 1 402.516 2.947 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccnn3CC3CC3)c2)n1 ZINC000788671897 1077262475 /nfs/dbraw/zinc/26/24/75/1077262475.db2.gz KYARUDAVDGVMDN-UHFFFAOYSA-N -1 1 409.450 2.577 20 0 HFADMM CC(C)=CCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000791006417 1077265920 /nfs/dbraw/zinc/26/59/20/1077265920.db2.gz IFRHCIREOLMVBB-KRWDZBQOSA-N -1 1 414.531 2.805 20 0 HFADMM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791165356 1077322784 /nfs/dbraw/zinc/32/27/84/1077322784.db2.gz FIKSJCVAHPPLBF-HOTGVXAUSA-N -1 1 421.501 2.762 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)c3ccccc3)ccnc1-2 ZINC000791285223 1077370233 /nfs/dbraw/zinc/37/02/33/1077370233.db2.gz GFIVAOPEZOKTQC-UXPWSPDFSA-N -1 1 403.486 2.754 20 0 HFADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(Cl)c(Cl)c2)o1 ZINC000791322679 1077373463 /nfs/dbraw/zinc/37/34/63/1077373463.db2.gz ZDTNQNUFAMCPHG-ZDUSSCGKSA-N -1 1 422.242 2.566 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cnccn2)cc1 ZINC000792202649 1077744398 /nfs/dbraw/zinc/74/43/98/1077744398.db2.gz KZPWUAZLZYCEDJ-UHFFFAOYSA-N -1 1 411.439 2.626 20 0 HFADMM CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1=O ZINC000789722213 1077758307 /nfs/dbraw/zinc/75/83/07/1077758307.db2.gz SVEMJSWACLMCOC-OLZOCXBDSA-N -1 1 418.387 2.687 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)CN2CCc3cc(Br)ccc3C2)cc1 ZINC000792308126 1077799903 /nfs/dbraw/zinc/79/99/03/1077799903.db2.gz GJYWVMFDWBKIMH-UHFFFAOYSA-N -1 1 403.276 2.772 20 0 HFADMM Cc1cc(Br)c(Br)nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170216796 1077909540 /nfs/dbraw/zinc/90/95/40/1077909540.db2.gz ARXOIYSIVZWDHX-UHFFFAOYSA-N -1 1 416.033 2.688 20 0 HFADMM Cc1ccc(C(=O)N2CCn3ccnc32)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001170248969 1077927110 /nfs/dbraw/zinc/92/71/10/1077927110.db2.gz FGEKAWOKAQTCSB-UHFFFAOYSA-N -1 1 400.435 2.792 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000790050723 1077929891 /nfs/dbraw/zinc/92/98/91/1077929891.db2.gz HNJMLYTVULPVJE-CQSZACIVSA-N -1 1 409.895 2.621 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)n1 ZINC000790159272 1077961890 /nfs/dbraw/zinc/96/18/90/1077961890.db2.gz IJDHKDVIMDISBL-XFXZXTDPSA-N -1 1 406.442 2.987 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C3=NO[C@H](c4ccccc4)C3)c2)n1 ZINC000790160574 1077962532 /nfs/dbraw/zinc/96/25/32/1077962532.db2.gz SAQRSRLRNXVXIX-SFHVURJKSA-N -1 1 419.441 2.782 20 0 HFADMM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000790350873 1078001769 /nfs/dbraw/zinc/00/17/69/1078001769.db2.gz LISROJPZCPDCNR-CQSZACIVSA-N -1 1 420.462 2.779 20 0 HFADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(N4CCC4=O)c3)cc2F)c1 ZINC000790351566 1078002098 /nfs/dbraw/zinc/00/20/98/1078002098.db2.gz WOQNFXHOWNAWHN-UHFFFAOYSA-N -1 1 400.435 2.857 20 0 HFADMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CCC1 ZINC000746902626 1078003120 /nfs/dbraw/zinc/00/31/20/1078003120.db2.gz ZPVXLFYKPNPXAZ-UHFFFAOYSA-N -1 1 408.863 2.530 20 0 HFADMM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc21 ZINC000790394669 1078014404 /nfs/dbraw/zinc/01/44/04/1078014404.db2.gz RQNMAIAVRQZRHH-UHFFFAOYSA-N -1 1 400.378 2.947 20 0 HFADMM Cc1c(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n(C)nc1C(F)(F)F ZINC000806423637 1079669161 /nfs/dbraw/zinc/66/91/61/1079669161.db2.gz IZCJELJYUXMKNE-UHFFFAOYSA-N -1 1 415.338 2.670 20 0 HFADMM COc1cc(Br)ccc1[C@H](C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806494051 1079744702 /nfs/dbraw/zinc/74/47/02/1079744702.db2.gz AYPYJMXUMZWJPE-JTQLQIEISA-N -1 1 404.268 2.996 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCC3(NC(=O)OC(C)(C)C)CCCCC3)ccnc1-2 ZINC000806483532 1079770392 /nfs/dbraw/zinc/77/03/92/1079770392.db2.gz IHIILWFZFKJNCO-UHFFFAOYSA-N -1 1 402.499 2.691 20 0 HFADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000806547762 1079786185 /nfs/dbraw/zinc/78/61/85/1079786185.db2.gz QLBNJDSQPWFTRU-HOTGVXAUSA-N -1 1 417.256 2.905 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001130700810 1079900516 /nfs/dbraw/zinc/90/05/16/1079900516.db2.gz IECOUDQXPKWKOP-IHRRRGAJSA-N -1 1 418.456 2.947 20 0 HFADMM Cc1ccccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130700581 1079900547 /nfs/dbraw/zinc/90/05/47/1079900547.db2.gz DHBKCXFNHXKTQF-CABCVRRESA-N -1 1 414.424 2.988 20 0 HFADMM Cc1csc(SCc2ccc(C(=O)Nc3n[n-]c(S(C)(=O)=O)n3)cc2)n1 ZINC000747340524 1079900892 /nfs/dbraw/zinc/90/08/92/1079900892.db2.gz AOUAZXQEXACTID-UHFFFAOYSA-N -1 1 409.518 2.518 20 0 HFADMM Cc1csc(SCc2ccc(C(=O)Nc3nc(S(C)(=O)=O)n[n-]3)cc2)n1 ZINC000747340524 1079900894 /nfs/dbraw/zinc/90/08/94/1079900894.db2.gz AOUAZXQEXACTID-UHFFFAOYSA-N -1 1 409.518 2.518 20 0 HFADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806863552 1080064950 /nfs/dbraw/zinc/06/49/50/1080064950.db2.gz YTNKHMHKKXBOCY-GFCCVEGCSA-N -1 1 420.498 2.590 20 0 HFADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806872487 1080073002 /nfs/dbraw/zinc/07/30/02/1080073002.db2.gz PHYKXZWFRXNMGZ-LLVKDONJSA-N -1 1 405.380 2.519 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000747360617 1080077070 /nfs/dbraw/zinc/07/70/70/1080077070.db2.gz YAPBKEVYFYMJHA-CYBMUJFWSA-N -1 1 412.490 2.762 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC(C)(C)c3c(Cl)cccc3Cl)ccnc1-2 ZINC000806886623 1080083544 /nfs/dbraw/zinc/08/35/44/1080083544.db2.gz OPFJIDIMWIUUMB-UHFFFAOYSA-N -1 1 420.300 2.681 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H](Cc3ccccc3)c3ccccc3F)ccnc1-2 ZINC000806913887 1080117720 /nfs/dbraw/zinc/11/77/20/1080117720.db2.gz IMIQPRXEEOLZTK-HXUWFJFHSA-N -1 1 417.444 2.520 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)ccnc1-2 ZINC000806964422 1080132513 /nfs/dbraw/zinc/13/25/13/1080132513.db2.gz SFLCIBRYNAFSER-UGSOOPFHSA-N -1 1 403.486 2.697 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3cccs3)Cc3cccs3)ccnc1-2 ZINC000806993588 1080172604 /nfs/dbraw/zinc/17/26/04/1080172604.db2.gz COYNVXNTSOSVEJ-UHFFFAOYSA-N -1 1 411.512 2.632 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCCC[C@H]3/C=C\c3ccccc3)ccnc1-2 ZINC000807024508 1080219483 /nfs/dbraw/zinc/21/94/83/1080219483.db2.gz YBCUKVIYBATAOC-BLHNSUHWSA-N -1 1 403.486 2.765 20 0 HFADMM Cc1cc(NC(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)cc1F ZINC000807071791 1080253790 /nfs/dbraw/zinc/25/37/90/1080253790.db2.gz CFZXWILATCKVIU-UHFFFAOYSA-N -1 1 423.794 2.643 20 0 HFADMM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)n1 ZINC001130949028 1080590598 /nfs/dbraw/zinc/59/05/98/1080590598.db2.gz FULJPOHGXDBPNH-CQSZACIVSA-N -1 1 421.523 2.885 20 0 HFADMM CCc1cccc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807492789 1080683736 /nfs/dbraw/zinc/68/37/36/1080683736.db2.gz CTLKBLUVTIEOFV-YDHLFZDLSA-N -1 1 413.440 2.800 20 0 HFADMM COc1ccc([C@@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C(=O)[O-])cc1Br ZINC000797723517 939186068 /nfs/dbraw/zinc/18/60/68/939186068.db2.gz CNWSTBCRLOGSEN-SWLSCSKDSA-N -1 1 423.267 2.683 20 0 HFADMM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(-c2nnc[nH]2)cc1 ZINC000793120856 1078070155 /nfs/dbraw/zinc/07/01/55/1078070155.db2.gz YAGWKOJZDBQQCL-UHFFFAOYSA-N -1 1 403.272 2.959 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000746935082 1078078755 /nfs/dbraw/zinc/07/87/55/1078078755.db2.gz JMDZTFGDJVQUDO-WMZOPIPTSA-N -1 1 414.506 2.709 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000746936554 1078082175 /nfs/dbraw/zinc/08/21/75/1078082175.db2.gz RDXFDKYVUNYNTR-MRXNPFEDSA-N -1 1 414.506 2.923 20 0 HFADMM COC(=O)Cc1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Br)n1 ZINC000790643530 1078091572 /nfs/dbraw/zinc/09/15/72/1078091572.db2.gz YKNHQNPODQRSEP-KTKRTIGZSA-N -1 1 411.277 2.972 20 0 HFADMM CC(C)N1CC[C@H](OC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1=O ZINC000746936966 1078087393 /nfs/dbraw/zinc/08/73/93/1078087393.db2.gz SJPSCSROGNERRN-SFHVURJKSA-N -1 1 402.472 2.654 20 0 HFADMM O=C([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000793146206 1078090101 /nfs/dbraw/zinc/09/01/01/1078090101.db2.gz HBTNEHRMZBRDLV-UHFFFAOYSA-N -1 1 414.340 2.748 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)NC3CC3)ccc2C)c(C)cc1F ZINC000793363089 1078148122 /nfs/dbraw/zinc/14/81/22/1078148122.db2.gz GHGCGIPBWGOAJM-UHFFFAOYSA-N -1 1 420.462 2.922 20 0 HFADMM COC(=O)C1(CS(=O)(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)CCCCC1 ZINC000793381018 1078154360 /nfs/dbraw/zinc/15/43/60/1078154360.db2.gz JIEAJAPBTGSWEQ-UHFFFAOYSA-N -1 1 404.435 2.788 20 0 HFADMM CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000793765766 1078282497 /nfs/dbraw/zinc/28/24/97/1078282497.db2.gz MFNGSNLQHQMZPL-GJZGRUSLSA-N -1 1 400.541 2.939 20 0 HFADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000793765770 1078282652 /nfs/dbraw/zinc/28/26/52/1078282652.db2.gz MFNGSNLQHQMZPL-LSDHHAIUSA-N -1 1 400.541 2.939 20 0 HFADMM O=C(Nc1nc(Br)ccc1[O-])c1cnn(CCO)c1-c1ccccc1 ZINC000793939003 1078352620 /nfs/dbraw/zinc/35/26/20/1078352620.db2.gz BBNGOUFQJVHDEG-UHFFFAOYSA-N -1 1 403.236 2.658 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@]3(C)CCOC3=O)c2)c1 ZINC000794087151 1078378314 /nfs/dbraw/zinc/37/83/14/1078378314.db2.gz NQMHHLCBIAXMEE-HXUWFJFHSA-N -1 1 402.472 2.540 20 0 HFADMM CCCC[C@@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000794259304 1078410346 /nfs/dbraw/zinc/41/03/46/1078410346.db2.gz JGURLIPFJIGATN-LJQANCHMSA-N -1 1 422.323 2.911 20 0 HFADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(c2ccccc2)=NO1)C(F)(F)F ZINC001129895344 1078589763 /nfs/dbraw/zinc/58/97/63/1078589763.db2.gz DHSRVGDDVXPTIQ-QAPCUYQASA-N -1 1 417.387 2.816 20 0 HFADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000804843252 1078682457 /nfs/dbraw/zinc/68/24/57/1078682457.db2.gz HSQNMFMKRCPQBN-LALPHHSUSA-N -1 1 405.524 2.782 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(CC(C)(C)C)c1ccccn1 ZINC001129739710 1078687431 /nfs/dbraw/zinc/68/74/31/1078687431.db2.gz LJDFBBWJSVUQKO-UHFFFAOYSA-N -1 1 413.522 2.734 20 0 HFADMM O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000747221398 1078719988 /nfs/dbraw/zinc/71/99/88/1078719988.db2.gz BDRARSXFDPABEJ-UHFFFAOYSA-N -1 1 408.907 2.876 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804943197 1078771065 /nfs/dbraw/zinc/77/10/65/1078771065.db2.gz YRVOAQYATBGWTD-ZJOBFFGXSA-N -1 1 413.440 2.725 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)c(Br)n1C ZINC000804964360 1078801866 /nfs/dbraw/zinc/80/18/66/1078801866.db2.gz FEKGNOKUGSTNIL-LLVKDONJSA-N -1 1 402.314 2.545 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(Br)n1C ZINC000804983140 1078820832 /nfs/dbraw/zinc/82/08/32/1078820832.db2.gz KEIXCFFRKMZHPN-KBPBESRZSA-N -1 1 414.325 2.690 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)c(Br)n1C ZINC000805020618 1078831670 /nfs/dbraw/zinc/83/16/70/1078831670.db2.gz POKYEJUCQZNSTL-UHFFFAOYSA-N -1 1 424.361 2.671 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3cccn3)cc2)c(Br)n1C ZINC000805022632 1078833867 /nfs/dbraw/zinc/83/38/67/1078833867.db2.gz YQHSJROOUHKOBJ-NSHDSACASA-N -1 1 424.324 2.716 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(Br)n1C ZINC000805004903 1078849261 /nfs/dbraw/zinc/84/92/61/1078849261.db2.gz FLSFATSNZXJKPT-LDYMZIIASA-N -1 1 406.252 2.604 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)c(Br)n1C ZINC000805006823 1078851086 /nfs/dbraw/zinc/85/10/86/1078851086.db2.gz HLSXNKIYTHLHOO-VXGBXAGGSA-N -1 1 408.362 2.611 20 0 HFADMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)nc1C ZINC000805033696 1078880199 /nfs/dbraw/zinc/88/01/99/1078880199.db2.gz PGYGZJODOFKGCV-QMMMGPOBSA-N -1 1 407.876 2.855 20 0 HFADMM CC(C)c1noc(CCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000805035366 1078881930 /nfs/dbraw/zinc/88/19/30/1078881930.db2.gz INWZJAQGYXVXDQ-OBJOEFQTSA-N -1 1 419.448 2.613 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(-n2cccn2)c1)C(F)(F)F ZINC001130086474 1078922279 /nfs/dbraw/zinc/92/22/79/1078922279.db2.gz BRKZFSHOZIRDDR-HNNXBMFYSA-N -1 1 415.375 2.517 20 0 HFADMM COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747229182 1078943513 /nfs/dbraw/zinc/94/35/13/1078943513.db2.gz MHXSRRPWVJBDOL-UHFFFAOYSA-N -1 1 403.254 2.884 20 0 HFADMM COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747229182 1078943516 /nfs/dbraw/zinc/94/35/16/1078943516.db2.gz MHXSRRPWVJBDOL-UHFFFAOYSA-N -1 1 403.254 2.884 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805152100 1078946855 /nfs/dbraw/zinc/94/68/55/1078946855.db2.gz JKHPSYHEPLXBRV-UQGHGMQMSA-N -1 1 405.461 2.677 20 0 HFADMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cscn1 ZINC000805336954 1079024807 /nfs/dbraw/zinc/02/48/07/1079024807.db2.gz DWKDUTXYRLLAEG-UHFFFAOYSA-N -1 1 402.453 2.984 20 0 HFADMM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C[C@H](C)S1(=O)=O ZINC000805396391 1079038539 /nfs/dbraw/zinc/03/85/39/1079038539.db2.gz FMWISVUYDNAPLF-GXTWGEPZSA-N -1 1 412.508 2.777 20 0 HFADMM CS(=O)(=O)Nc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccc1Cl ZINC000747242034 1079079362 /nfs/dbraw/zinc/07/93/62/1079079362.db2.gz LCFSWCVDGKZWNY-UHFFFAOYSA-N -1 1 423.830 2.881 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@H]2CCc3ccccc3OC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805460034 1079083297 /nfs/dbraw/zinc/08/32/97/1079083297.db2.gz JAICUJJLLTVRMZ-HPZZRFSDSA-N -1 1 413.440 2.867 20 0 HFADMM C[C@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787589 1079253604 /nfs/dbraw/zinc/25/36/04/1079253604.db2.gz SXNBJMVVZFHXCD-DCGLDWPTSA-N -1 1 403.420 2.562 20 0 HFADMM O=C(NCCn1cc(Br)cn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000805838334 1079276728 /nfs/dbraw/zinc/27/67/28/1079276728.db2.gz QXBCFEZFJCRTGG-UHFFFAOYSA-N -1 1 421.295 2.656 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC(=O)NC(C)(C)C ZINC000805828967 1079298930 /nfs/dbraw/zinc/29/89/30/1079298930.db2.gz DQLXXWGSGHDXGR-YOEHRIQHSA-N -1 1 415.456 2.794 20 0 HFADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccnc2Br)o1 ZINC000805933003 1079361849 /nfs/dbraw/zinc/36/18/49/1079361849.db2.gz LBLFTWCPEGYPRA-UHFFFAOYSA-N -1 1 417.281 2.871 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(Cn2cncn2)cc1 ZINC000806019838 1079393812 /nfs/dbraw/zinc/39/38/12/1079393812.db2.gz HJBGKHRCSYEKSK-UHFFFAOYSA-N -1 1 416.441 2.592 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1coc(C2CCOCC2)n1 ZINC000806020904 1079394139 /nfs/dbraw/zinc/39/41/39/1079394139.db2.gz XRAVCSSVCNEXEO-UHFFFAOYSA-N -1 1 410.430 2.834 20 0 HFADMM COCCOc1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000806020740 1079394201 /nfs/dbraw/zinc/39/42/01/1079394201.db2.gz VWXUGYFJHKSLTR-UHFFFAOYSA-N -1 1 409.442 2.977 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCCNC(=O)C(C)(C)C ZINC000806020345 1079394642 /nfs/dbraw/zinc/39/46/42/1079394642.db2.gz RSFFOWBZHOOUGF-UHFFFAOYSA-N -1 1 400.479 2.581 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)c2)cc1 ZINC000806063826 1079404238 /nfs/dbraw/zinc/40/42/38/1079404238.db2.gz SPDCXTPFAVXJCA-BEFAXECRSA-N -1 1 416.499 2.880 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CC(=O)N(C)[C@H]2C)cc1 ZINC000806071586 1079414169 /nfs/dbraw/zinc/41/41/69/1079414169.db2.gz TXYYYOYGNIILLY-KSSFIOAISA-N -1 1 402.472 2.572 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)cc2)cc1C ZINC000806077856 1079415895 /nfs/dbraw/zinc/41/58/95/1079415895.db2.gz FAVLVPVQEVLTJT-HNAYVOBHSA-N -1 1 416.499 2.880 20 0 HFADMM C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)Nc1ccc2c(c1)OCO2 ZINC000787956182 1077008328 /nfs/dbraw/zinc/00/83/28/1077008328.db2.gz QTSUBRBDVLKFBO-NSHDSACASA-N -1 1 413.361 2.630 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@H]3CCOC3)cc2)c1 ZINC000788122270 1077059901 /nfs/dbraw/zinc/05/99/01/1077059901.db2.gz LMAVKXQDLJLXGB-INIZCTEOSA-N -1 1 404.488 2.802 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)c3nccn3C)cc2)cc1 ZINC000788199024 1077077780 /nfs/dbraw/zinc/07/77/80/1077077780.db2.gz DEZSNHGDOXKZSO-UHFFFAOYSA-N -1 1 414.487 2.896 20 0 HFADMM COc1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cnc1Br ZINC000788525513 1077202650 /nfs/dbraw/zinc/20/26/50/1077202650.db2.gz JXXSSRSNSOSPQI-UHFFFAOYSA-N -1 1 418.244 2.616 20 0 HFADMM CCCCN1C(=O)CC[C@H](C(=O)[N-]OC[C@@H]2CCOC2)[C@H]1c1ccccc1OC ZINC000788572567 1077210289 /nfs/dbraw/zinc/21/02/89/1077210289.db2.gz VKWUIPZRRLGFMT-PLMTUMEDSA-N -1 1 404.507 2.859 20 0 HFADMM O=C([N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C(F)(F)C1CCOCC1 ZINC000790909838 1077245601 /nfs/dbraw/zinc/24/56/01/1077245601.db2.gz UZVLLEJWEXAFSJ-ZDUSSCGKSA-N -1 1 406.351 2.989 20 0 HFADMM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1cc(Br)cnc1Cl ZINC000788688876 1077251830 /nfs/dbraw/zinc/25/18/30/1077251830.db2.gz PNJRNDWNDMJTOT-UHFFFAOYSA-N -1 1 409.733 2.719 20 0 HFADMM CC(C)=CCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000791006420 1077265838 /nfs/dbraw/zinc/26/58/38/1077265838.db2.gz IFRHCIREOLMVBB-QGZVFWFLSA-N -1 1 414.531 2.805 20 0 HFADMM CC[C@@H](C)NS(=O)(=O)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788750751 1077276543 /nfs/dbraw/zinc/27/65/43/1077276543.db2.gz NMNQKTPXDSBYPL-CQSZACIVSA-N -1 1 422.528 2.939 20 0 HFADMM CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791165974 1077322906 /nfs/dbraw/zinc/32/29/06/1077322906.db2.gz IRLRCEJWDGRDPS-JOCHJYFZSA-N -1 1 415.497 2.817 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCSC(F)(F)F)c2)n1 ZINC000788881697 1077328592 /nfs/dbraw/zinc/32/85/92/1077328592.db2.gz KTJGCBLOARTOMJ-UHFFFAOYSA-N -1 1 417.413 2.701 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCCN2CCCC2=O)cc1 ZINC000791227487 1077335996 /nfs/dbraw/zinc/33/59/96/1077335996.db2.gz VHOQZWLSJPLJBK-UHFFFAOYSA-N -1 1 402.472 2.575 20 0 HFADMM O=S(=O)([N-][C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000788902987 1077346568 /nfs/dbraw/zinc/34/65/68/1077346568.db2.gz PBBOLHUMNDLYAR-WCQYABFASA-N -1 1 408.278 2.895 20 0 HFADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1Cl ZINC000788934090 1077368590 /nfs/dbraw/zinc/36/85/90/1077368590.db2.gz GCXIKTCFLIKSKZ-JTQLQIEISA-N -1 1 409.726 2.938 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n[n-]1 ZINC000791282321 1077369322 /nfs/dbraw/zinc/36/93/22/1077369322.db2.gz FTRABBSQLLQXPH-QPBFKRLHSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)[n-]1 ZINC000791282321 1077369328 /nfs/dbraw/zinc/36/93/28/1077369328.db2.gz FTRABBSQLLQXPH-QPBFKRLHSA-N -1 1 400.435 2.627 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=Cc2ccc3c(c2)OCO3)n1 ZINC000791282321 1077369336 /nfs/dbraw/zinc/36/93/36/1077369336.db2.gz FTRABBSQLLQXPH-QPBFKRLHSA-N -1 1 400.435 2.627 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCN(CC(F)(F)F)C(C)C ZINC000791843638 1077582444 /nfs/dbraw/zinc/58/24/44/1077582444.db2.gz UABKEIRCWWHAFI-UHFFFAOYSA-N -1 1 402.417 2.800 20 0 HFADMM O=C(OCC1(F)CC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000789585636 1077669790 /nfs/dbraw/zinc/66/97/90/1077669790.db2.gz PUWLBLBPPUNRFW-UHFFFAOYSA-N -1 1 407.419 2.918 20 0 HFADMM Cc1ccc(Cn2cccc(NC(=O)NCCc3nnc([S-])n3C3CC3)c2=O)cc1 ZINC000789843826 1077818098 /nfs/dbraw/zinc/81/80/98/1077818098.db2.gz FFNZLWMWXAKFFC-UHFFFAOYSA-N -1 1 424.530 2.784 20 0 HFADMM O=C([N-][C@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)c1nccs1 ZINC000772796881 1077866035 /nfs/dbraw/zinc/86/60/35/1077866035.db2.gz HIPLGBGNLVZWTR-NSHDSACASA-N -1 1 416.247 2.919 20 0 HFADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc(Cl)c1F ZINC000790006394 1077901276 /nfs/dbraw/zinc/90/12/76/1077901276.db2.gz ZVRMHHCQKPENII-CYBMUJFWSA-N -1 1 401.799 2.794 20 0 HFADMM O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cncc(Cl)n1 ZINC000789974533 1077902675 /nfs/dbraw/zinc/90/26/75/1077902675.db2.gz RGJWLFNNQYBJRU-UHFFFAOYSA-N -1 1 402.863 2.861 20 0 HFADMM CC(C)n1ncc2cc(C=CC(=O)Nc3nc(Br)ccc3[O-])c(=O)[nH]c21 ZINC000790043868 1077910220 /nfs/dbraw/zinc/91/02/20/1077910220.db2.gz TXYKITUFMHXCOZ-ZZXKWVIFSA-N -1 1 418.251 2.821 20 0 HFADMM CCOC(=O)c1csc(Cc2cccc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c2)n1 ZINC001170223806 1077916635 /nfs/dbraw/zinc/91/66/35/1077916635.db2.gz QGOPKAALCTWSQO-UHFFFAOYSA-N -1 1 412.431 2.683 20 0 HFADMM O=C(Nc1cccnc1)c1cc(F)c(Cl)nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170226370 1077917064 /nfs/dbraw/zinc/91/70/64/1077917064.db2.gz JODQGQZJAHLMGQ-UHFFFAOYSA-N -1 1 400.761 2.637 20 0 HFADMM O=C(NC(=S)Nc1ccccc1Nc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1 ZINC001170229714 1077918694 /nfs/dbraw/zinc/91/86/94/1077918694.db2.gz YPEMTYNODZOKAK-UHFFFAOYSA-N -1 1 405.443 2.929 20 0 HFADMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)c1 ZINC000790053114 1077932900 /nfs/dbraw/zinc/93/29/00/1077932900.db2.gz AWMSCXRDPLAUIS-UHFFFAOYSA-N -1 1 417.487 2.613 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3OCCCO3)c2)c1 ZINC000790061719 1077935647 /nfs/dbraw/zinc/93/56/47/1077935647.db2.gz CHMCNOFPENJMKI-UHFFFAOYSA-N -1 1 404.488 2.597 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@@](C)(O)c3ccccc3)c2)n1 ZINC000790156900 1077960891 /nfs/dbraw/zinc/96/08/91/1077960891.db2.gz AKWURXHXTFZUDP-JOCHJYFZSA-N -1 1 408.458 2.562 20 0 HFADMM CC1(C)CN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)C1 ZINC000790232358 1077981823 /nfs/dbraw/zinc/98/18/23/1077981823.db2.gz VOPCYHWJIGVVJT-MRXNPFEDSA-N -1 1 414.531 2.591 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000792825866 1078006440 /nfs/dbraw/zinc/00/64/40/1078006440.db2.gz IHSFHTLNAXHAMY-OAHLLOKOSA-N -1 1 419.485 2.547 20 0 HFADMM CC(C)Oc1ncccc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000792832113 1078007691 /nfs/dbraw/zinc/00/76/91/1078007691.db2.gz JXRMVVJDOLXLTI-UHFFFAOYSA-N -1 1 408.357 2.584 20 0 HFADMM O=C(CC1OCCCO1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000792835364 1078008417 /nfs/dbraw/zinc/00/84/17/1078008417.db2.gz XLHDXBIRRWQRSS-UHFFFAOYSA-N -1 1 412.414 2.857 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1C(=O)[O-] ZINC000790406968 1078019454 /nfs/dbraw/zinc/01/94/54/1078019454.db2.gz YVSPWIRVLYSONM-UHFFFAOYSA-N -1 1 422.850 2.643 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-n3cnnc3C)c2)cc1C(=O)[O-] ZINC000790397933 1078025007 /nfs/dbraw/zinc/02/50/07/1078025007.db2.gz HBXBZKXQKHVYDO-UHFFFAOYSA-N -1 1 422.850 2.737 20 0 HFADMM COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790399566 1078025799 /nfs/dbraw/zinc/02/57/99/1078025799.db2.gz RHFGDGFZDGWZCD-UHFFFAOYSA-N -1 1 405.837 2.696 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2ccn(Cc3ccccn3)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806286486 1079571921 /nfs/dbraw/zinc/57/19/21/1079571921.db2.gz XJIQOVBBIXNUMP-XEZPLFJOSA-N -1 1 424.427 2.636 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc(-n3ccnn3)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806356933 1079645030 /nfs/dbraw/zinc/64/50/30/1079645030.db2.gz FADZUSYDBTXALD-HUBLWGQQSA-N -1 1 410.400 2.577 20 0 HFADMM COC(=O)CCCCCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806443461 1079715267 /nfs/dbraw/zinc/71/52/67/1079715267.db2.gz XQYCIUMMUYNUEF-YDHLFZDLSA-N -1 1 409.449 2.597 20 0 HFADMM COc1cc(Br)ccc1CCCNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806490157 1079739521 /nfs/dbraw/zinc/73/95/21/1079739521.db2.gz OVVFCUDGTCDFRD-UHFFFAOYSA-N -1 1 418.295 2.867 20 0 HFADMM CN(C(=O)N=c1ccnc2n(C)[n-]cc1-2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000806489517 1079740924 /nfs/dbraw/zinc/74/09/24/1079740924.db2.gz URSOAVKLXDDEJW-HOTGVXAUSA-N -1 1 406.273 2.771 20 0 HFADMM CCN1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000806491817 1079743200 /nfs/dbraw/zinc/74/32/00/1079743200.db2.gz SZHKBLUUXTYRLK-SJLPKXTDSA-N -1 1 418.423 2.716 20 0 HFADMM C[C@H](Cc1cccc(O)c1)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000806508741 1079759827 /nfs/dbraw/zinc/75/98/27/1079759827.db2.gz SVIMAJXPAANWKD-ZWUHOBOKSA-N -1 1 401.429 2.810 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(c4cccc(Br)c4)C3)ccnc1-2 ZINC000806487506 1079774017 /nfs/dbraw/zinc/77/40/17/1079774017.db2.gz FGXKAZQGFZJLFB-CYBMUJFWSA-N -1 1 415.295 2.505 20 0 HFADMM Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc(C(=O)[O-])c1F ZINC000806567821 1079827490 /nfs/dbraw/zinc/82/74/90/1079827490.db2.gz LDTXKOSMCGXBKG-KDOFPFPSSA-N -1 1 406.479 2.774 20 0 HFADMM Cc1ccccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C ZINC001130700583 1079900449 /nfs/dbraw/zinc/90/04/49/1079900449.db2.gz DHBKCXFNHXKTQF-HUUCEWRRSA-N -1 1 414.424 2.988 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001130701792 1079902201 /nfs/dbraw/zinc/90/22/01/1079902201.db2.gz XIJFGOBGKFLMJH-TTZDDIAXSA-N -1 1 418.456 2.802 20 0 HFADMM CC(C)[C@@H](CO)CNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000806684289 1079912275 /nfs/dbraw/zinc/91/22/75/1079912275.db2.gz TWFDICVKHREFRC-QGZVFWFLSA-N -1 1 405.520 2.551 20 0 HFADMM CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000806849623 1080033751 /nfs/dbraw/zinc/03/37/51/1080033751.db2.gz OOPWXDQZJWDVGW-UHFFFAOYSA-N -1 1 410.470 2.680 20 0 HFADMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806851711 1080036343 /nfs/dbraw/zinc/03/63/43/1080036343.db2.gz WTRMDYZUDFIKPD-SNVBAGLBSA-N -1 1 406.273 2.807 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1cc(F)c(Cl)cc1Cl ZINC000806830563 1080043934 /nfs/dbraw/zinc/04/39/34/1080043934.db2.gz MFCQRBJRHDLTFI-MRVPVSSYSA-N -1 1 410.236 2.604 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H](CCCO)c2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806850893 1080056872 /nfs/dbraw/zinc/05/68/72/1080056872.db2.gz ZQRAANUTYNGNIU-OTRWWLKZSA-N -1 1 415.456 2.987 20 0 HFADMM Cc1cccc(C2(CNC(=O)C(=O)N=c3ccnc4n(C)[n-]cc3-4)CCCCC2)c1 ZINC000806855190 1080060062 /nfs/dbraw/zinc/06/00/62/1080060062.db2.gz BNECHRHIYBKQJH-UHFFFAOYSA-N -1 1 405.502 2.607 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(c4cccc(Cl)c4)CCCC3)ccnc1-2 ZINC000806863009 1080065523 /nfs/dbraw/zinc/06/55/23/1080065523.db2.gz WOTSYODHAYXODT-UHFFFAOYSA-N -1 1 411.893 2.562 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)ccnc1-2 ZINC000806892032 1080099266 /nfs/dbraw/zinc/09/92/66/1080099266.db2.gz WRZJMTQLGRPKMK-IBGZPJMESA-N -1 1 402.458 2.515 20 0 HFADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806939373 1080147181 /nfs/dbraw/zinc/14/71/81/1080147181.db2.gz MKPSCHDLTKFRIG-JTQLQIEISA-N -1 1 418.284 2.733 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000747365857 1080152861 /nfs/dbraw/zinc/15/28/61/1080152861.db2.gz DGUDIBADZZQDGK-UHFFFAOYSA-N -1 1 420.535 2.621 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806995000 1080173981 /nfs/dbraw/zinc/17/39/81/1080173981.db2.gz BZSIVYKYMFICLR-LHLGERLTSA-N -1 1 423.501 2.528 20 0 HFADMM Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000807020267 1080215740 /nfs/dbraw/zinc/21/57/40/1080215740.db2.gz TWPSBMRRVDENNZ-UHFFFAOYSA-N -1 1 415.453 2.806 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000747379316 1080384741 /nfs/dbraw/zinc/38/47/41/1080384741.db2.gz BSIFNWCRTTVBMA-UHFFFAOYSA-N -1 1 409.446 2.993 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1CCCC1 ZINC001130902201 1080486931 /nfs/dbraw/zinc/48/69/31/1080486931.db2.gz MDHPMTQHNVYAPH-ZFWWWQNUSA-N -1 1 406.445 2.947 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000747405463 1080797459 /nfs/dbraw/zinc/79/74/59/1080797459.db2.gz OMZAAQYFXCQGEK-UHFFFAOYSA-N -1 1 420.517 2.821 20 0 HFADMM COc1cc(Br)c(CN[C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1OC ZINC001320733150 1126169442 /nfs/dbraw/zinc/16/94/42/1126169442.db2.gz PMMGPLLLUSFIJV-GFCCVEGCSA-N -1 1 418.675 2.559 20 0 HFADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000780392082 939114404 /nfs/dbraw/zinc/11/44/04/939114404.db2.gz JELMFBGOKFJENC-FVJLSDCUSA-N -1 1 411.502 2.921 20 0 HFADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)CC2)c1 ZINC000780394025 939115068 /nfs/dbraw/zinc/11/50/68/939115068.db2.gz FGUPQAILTGDMJE-OAQYLSRUSA-N -1 1 416.566 2.840 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000746935283 1078078386 /nfs/dbraw/zinc/07/83/86/1078078386.db2.gz PKRQYBODWFBLPF-VMGRFDJRSA-N -1 1 402.495 2.611 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000746937139 1078084919 /nfs/dbraw/zinc/08/49/19/1078084919.db2.gz UTJLYVYMHRVREM-TVFIUFHYSA-N -1 1 416.522 2.857 20 0 HFADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000793196917 1078098418 /nfs/dbraw/zinc/09/84/18/1078098418.db2.gz NPYXMDJBNBBJIH-INIZCTEOSA-N -1 1 418.453 2.946 20 0 HFADMM Cc1cc(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc(C(=O)[O-])c1Cl ZINC000793345975 1078132273 /nfs/dbraw/zinc/13/22/73/1078132273.db2.gz NVFJEUOKCBZFIW-LBPRGKRZSA-N -1 1 400.928 2.842 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000793347113 1078132857 /nfs/dbraw/zinc/13/28/57/1078132857.db2.gz VQLRCXVADDEWOG-GFCCVEGCSA-N -1 1 416.927 2.542 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c(C)cc1F ZINC000793363627 1078148654 /nfs/dbraw/zinc/14/86/54/1078148654.db2.gz NPOZTRWZTSQQFU-UHFFFAOYSA-N -1 1 403.435 2.966 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c(C)cc1F ZINC000793368055 1078149828 /nfs/dbraw/zinc/14/98/28/1078149828.db2.gz POXJOWBNIVXGGR-UHFFFAOYSA-N -1 1 404.423 2.815 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[C@H](C)OC)c2)c(C)cc1F ZINC000793383015 1078161116 /nfs/dbraw/zinc/16/11/16/1078161116.db2.gz YOEMGVNDOXJCFK-LBPRGKRZSA-N -1 1 424.450 2.695 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)c(C)cc1F ZINC000793401664 1078168389 /nfs/dbraw/zinc/16/83/89/1078168389.db2.gz TWUSFRXNIOHUMW-UHFFFAOYSA-N -1 1 421.450 2.641 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N3CCOCC3)ccc2C)c(C)cc1F ZINC000793431598 1078170341 /nfs/dbraw/zinc/17/03/41/1078170341.db2.gz NNGDDLYNYQYANC-UHFFFAOYSA-N -1 1 422.478 2.867 20 0 HFADMM CC(C)(C)n1ccnc1SCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793470090 1078182906 /nfs/dbraw/zinc/18/29/06/1078182906.db2.gz VVJJNYUWMCJWHO-GFCCVEGCSA-N -1 1 406.474 2.647 20 0 HFADMM COCc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)cc(C(=O)OC)c1 ZINC000793454091 1078191688 /nfs/dbraw/zinc/19/16/88/1078191688.db2.gz VSRZSNKAVMMNHX-RMKNXTFCSA-N -1 1 419.455 2.607 20 0 HFADMM CSCCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000794189874 1078383058 /nfs/dbraw/zinc/38/30/58/1078383058.db2.gz KWCNGYYRXCGEMO-UHFFFAOYSA-N -1 1 408.501 2.714 20 0 HFADMM CCCC[C@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000794259301 1078410283 /nfs/dbraw/zinc/41/02/83/1078410283.db2.gz JGURLIPFJIGATN-IBGZPJMESA-N -1 1 422.323 2.911 20 0 HFADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000804404060 1078467693 /nfs/dbraw/zinc/46/76/93/1078467693.db2.gz FJPSYJOWLWUGRG-HOTGVXAUSA-N -1 1 419.488 2.625 20 0 HFADMM CC[C@@H]1CN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C[C@@H](C)[S@@]1=O ZINC000804435214 1078478134 /nfs/dbraw/zinc/47/81/34/1078478134.db2.gz LXNUMEXSFVIRHX-YPLCLTCLSA-N -1 1 422.425 2.875 20 0 HFADMM Cc1ccccc1[C@H](O)C1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000804511702 1078571860 /nfs/dbraw/zinc/57/18/60/1078571860.db2.gz QFICSXDBVCJADB-HSZRJFAPSA-N -1 1 408.502 2.875 20 0 HFADMM CCC(=O)c1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(S(N)(=O)=O)c1 ZINC000804566275 1078601132 /nfs/dbraw/zinc/60/11/32/1078601132.db2.gz AONOXUGDTOGDOS-UHFFFAOYSA-N -1 1 416.499 2.732 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000804646671 1078704488 /nfs/dbraw/zinc/70/44/88/1078704488.db2.gz LKSVPXPBUUOTEZ-UHFFFAOYSA-N -1 1 405.886 2.630 20 0 HFADMM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000804989136 1078793997 /nfs/dbraw/zinc/79/39/97/1078793997.db2.gz BHPVAGTZSHDTLF-UHFFFAOYSA-N -1 1 416.341 2.799 20 0 HFADMM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000804973531 1078810056 /nfs/dbraw/zinc/81/00/56/1078810056.db2.gz TXOWUXZGTPYVDQ-UHFFFAOYSA-N -1 1 416.341 2.756 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCCOc2ccc(C)cc2)c(Br)n1C ZINC000804979308 1078814772 /nfs/dbraw/zinc/81/47/72/1078814772.db2.gz CYOPOWSPSHJGMD-UHFFFAOYSA-N -1 1 402.314 2.547 20 0 HFADMM CCO[C@@H](CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br)C1CCCC1 ZINC000805025459 1078838202 /nfs/dbraw/zinc/83/82/02/1078838202.db2.gz RTMAZLSKRAXQPG-ZDUSSCGKSA-N -1 1 408.362 2.755 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C)cc2)c(Br)n1C ZINC000805017716 1078828658 /nfs/dbraw/zinc/82/86/58/1078828658.db2.gz KUTNBGCZPNOBRK-LLVKDONJSA-N -1 1 402.314 2.545 20 0 HFADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)n2)c1 ZINC000805021087 1078832964 /nfs/dbraw/zinc/83/29/64/1078832964.db2.gz UNNDTNXIFUQDAP-SECBINFHSA-N -1 1 412.830 2.972 20 0 HFADMM CC[C@@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1ccccc1C ZINC000805029654 1078842174 /nfs/dbraw/zinc/84/21/74/1078842174.db2.gz SKGXNOXVYHTFLZ-ZDUSSCGKSA-N -1 1 416.341 2.935 20 0 HFADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C ZINC000805030574 1078843441 /nfs/dbraw/zinc/84/34/41/1078843441.db2.gz HHNQVLBNZWBILS-GFCCVEGCSA-N -1 1 401.378 2.980 20 0 HFADMM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)cc1 ZINC000805048450 1078862935 /nfs/dbraw/zinc/86/29/35/1078862935.db2.gz OPLGDXPPHLIMAF-LLVKDONJSA-N -1 1 416.341 2.657 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c(Br)n1C ZINC000805060689 1078873329 /nfs/dbraw/zinc/87/33/29/1078873329.db2.gz GMJMEEPOWMNOOW-UHFFFAOYSA-N -1 1 420.716 2.558 20 0 HFADMM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCO1 ZINC000805058041 1078870276 /nfs/dbraw/zinc/87/02/76/1078870276.db2.gz ZJOYPLUGIAZURB-CHWSQXEVSA-N -1 1 408.362 2.753 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c(Br)n1C ZINC000805057525 1078870735 /nfs/dbraw/zinc/87/07/35/1078870735.db2.gz TYRZRKXGNJNKLX-GFCCVEGCSA-N -1 1 418.288 2.822 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]CCSC(C)C)c(F)cc1Br ZINC000805105498 1078888895 /nfs/dbraw/zinc/88/88/95/1078888895.db2.gz ZENDNFNYWJAHKJ-UHFFFAOYSA-N -1 1 414.318 2.795 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccn(C3CCCC3)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805221956 1078991520 /nfs/dbraw/zinc/99/15/20/1078991520.db2.gz NUHUWGUCPVPRBQ-XEZPLFJOSA-N -1 1 415.460 2.985 20 0 HFADMM C[C@H]1CCN(C(=O)NCCCCC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805254703 1078999458 /nfs/dbraw/zinc/99/94/58/1078999458.db2.gz CIKAEUOWQBPZRN-YDHLFZDLSA-N -1 1 423.476 2.985 20 0 HFADMM CCCCn1cc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(C)n1 ZINC000805254305 1078999840 /nfs/dbraw/zinc/99/98/40/1078999840.db2.gz MLHXNFHSKVWFHH-NOLJZWGESA-N -1 1 417.476 2.979 20 0 HFADMM C[C@H]1CCN(C(=O)NC[C@@H]2COC3(CCCCC3)O2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805258852 1079000831 /nfs/dbraw/zinc/00/08/31/1079000831.db2.gz BJEIVSOSHIQGBY-XQLPTFJDSA-N -1 1 421.460 2.549 20 0 HFADMM CCOC(=O)C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)=O ZINC000805361239 1079045922 /nfs/dbraw/zinc/04/59/22/1079045922.db2.gz SKCBMNLXJRJCII-SFHVURJKSA-N -1 1 419.455 2.555 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2c3ccc(C)cc3oc2C(C)=O)cc1 ZINC000805663597 1079208821 /nfs/dbraw/zinc/20/88/21/1079208821.db2.gz STTNVVOFYXPXDD-UHFFFAOYSA-N -1 1 423.421 2.995 20 0 HFADMM CC(=O)N(C)c1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000806015764 1079389082 /nfs/dbraw/zinc/38/90/82/1079389082.db2.gz BQDJJTIWGTYQOX-UHFFFAOYSA-N -1 1 406.442 2.935 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cccc(-n2ccnn2)c1 ZINC000806016361 1079390569 /nfs/dbraw/zinc/39/05/69/1079390569.db2.gz CLXKDCNPSMTKMY-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cnn(-c2ccccc2)n1 ZINC000806017627 1079391553 /nfs/dbraw/zinc/39/15/53/1079391553.db2.gz ADWHZZGKAPUZSZ-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000806018574 1079392786 /nfs/dbraw/zinc/39/27/86/1079392786.db2.gz GZJMFOSHGCZRCN-HNNXBMFYSA-N -1 1 420.469 2.847 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000806019662 1079393424 /nfs/dbraw/zinc/39/34/24/1079393424.db2.gz MBZZHUXNUKUKEN-QGZVFWFLSA-N -1 1 412.490 2.675 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000806020940 1079394231 /nfs/dbraw/zinc/39/42/31/1079394231.db2.gz YQBISQJEZOIIKB-UHFFFAOYSA-N -1 1 404.426 2.837 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H]3CC(=O)N(C)[C@@H]3C)cc2)ccc1F ZINC000806068303 1079434303 /nfs/dbraw/zinc/43/43/03/1079434303.db2.gz KHPDMTACNUGCOP-ACJLOTCBSA-N -1 1 420.462 2.711 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3ccc([O-])cc3F)cn2)CC1 ZINC000787336513 1076782410 /nfs/dbraw/zinc/78/24/10/1076782410.db2.gz QCJUOQJTAPZOAI-UHFFFAOYSA-N -1 1 417.441 2.631 20 0 HFADMM O=C(NCc1ncccn1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000772699618 1076788391 /nfs/dbraw/zinc/78/83/91/1076788391.db2.gz LQMGQRULXKFVRD-UHFFFAOYSA-N -1 1 420.853 3.000 20 0 HFADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccnc(N)c3)c2)cc1 ZINC000787573543 1076868784 /nfs/dbraw/zinc/86/87/84/1076868784.db2.gz ROKXIVSBZNKDJA-UHFFFAOYSA-N -1 1 413.455 2.830 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOCC(F)(F)C(F)(F)F ZINC000787670203 1076905744 /nfs/dbraw/zinc/90/57/44/1076905744.db2.gz GDAVDNXENFIYNX-UHFFFAOYSA-N -1 1 405.341 2.819 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)n[n-]1 ZINC000787905793 1076989835 /nfs/dbraw/zinc/98/98/35/1076989835.db2.gz JGJHDUGBEQTINY-UHFFFAOYSA-N -1 1 402.414 2.522 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)n1 ZINC000787905793 1076989838 /nfs/dbraw/zinc/98/98/38/1076989838.db2.gz JGJHDUGBEQTINY-UHFFFAOYSA-N -1 1 402.414 2.522 20 0 HFADMM COC(=O)c1cccn2cc(COC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])nc12 ZINC000787956540 1077008147 /nfs/dbraw/zinc/00/81/47/1077008147.db2.gz TWTDQDIHUQBPIH-UHFFFAOYSA-N -1 1 410.361 2.508 20 0 HFADMM COCCn1c(C)cc(C(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1C ZINC000787956203 1077008381 /nfs/dbraw/zinc/00/83/81/1077008381.db2.gz RGSVZPUCNLNEMB-UHFFFAOYSA-N -1 1 415.421 2.821 20 0 HFADMM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787956952 1077008825 /nfs/dbraw/zinc/00/88/25/1077008825.db2.gz WEIQOADSQYRUHX-UHFFFAOYSA-N -1 1 414.780 2.735 20 0 HFADMM COc1cc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CSC3=O)cc2)ccc1F ZINC000788056057 1077043840 /nfs/dbraw/zinc/04/38/40/1077043840.db2.gz VXZPDQSVGKRKAI-UHFFFAOYSA-N -1 1 410.448 2.831 20 0 HFADMM COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000788060163 1077045583 /nfs/dbraw/zinc/04/55/83/1077045583.db2.gz VLPJXLAZXYQULW-RUZDIDTESA-N -1 1 401.481 2.530 20 0 HFADMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1Cl ZINC000788063376 1077047196 /nfs/dbraw/zinc/04/71/96/1077047196.db2.gz WGGIOLOBZASXOR-UHFFFAOYSA-N -1 1 413.860 2.651 20 0 HFADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000788110426 1077065599 /nfs/dbraw/zinc/06/55/99/1077065599.db2.gz GEGPOCRKTKVUSO-UHFFFAOYSA-N -1 1 409.798 2.740 20 0 HFADMM COCCOc1cc(OC)ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000788199271 1077077755 /nfs/dbraw/zinc/07/77/55/1077077755.db2.gz FUBMVNOKCIRHMV-UHFFFAOYSA-N -1 1 400.383 2.889 20 0 HFADMM CC1CN(C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3[O-])c2)C1 ZINC000788203387 1077078658 /nfs/dbraw/zinc/07/86/58/1077078658.db2.gz OZSCPALDLWITFX-KRWDZBQOSA-N -1 1 414.531 2.591 20 0 HFADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 ZINC000746735290 1077081879 /nfs/dbraw/zinc/08/18/79/1077081879.db2.gz BOJOLDZVOULEIX-ZDUSSCGKSA-N -1 1 421.471 2.894 20 0 HFADMM Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1 ZINC000788220175 1077082365 /nfs/dbraw/zinc/08/23/65/1077082365.db2.gz JLFYMBXJFPXOSH-UHFFFAOYSA-N -1 1 420.878 2.552 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1Cl ZINC000788483354 1077176548 /nfs/dbraw/zinc/17/65/48/1077176548.db2.gz ABXRCEMPQJKINO-UHFFFAOYSA-N -1 1 409.851 2.514 20 0 HFADMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000788505590 1077185558 /nfs/dbraw/zinc/18/55/58/1077185558.db2.gz LAQOQQXNGNJQMO-CHWSQXEVSA-N -1 1 404.492 2.541 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3nc(Cl)sc3C)c2)n1 ZINC000791025237 1077274868 /nfs/dbraw/zinc/27/48/68/1077274868.db2.gz OXVLWANYUADAAD-UHFFFAOYSA-N -1 1 405.867 2.997 20 0 HFADMM C[C@@H]1CC(=O)C[C@H](C(=O)[N-]OCc2ccccc2)[C@@H]1C(=O)NOCc1ccccc1 ZINC000791123659 1077293584 /nfs/dbraw/zinc/29/35/84/1077293584.db2.gz GYYYKCIFRDMBFI-TYCQWZJGSA-N -1 1 410.470 2.714 20 0 HFADMM CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791165977 1077322958 /nfs/dbraw/zinc/32/29/58/1077322958.db2.gz IRLRCEJWDGRDPS-QFIPXVFZSA-N -1 1 415.497 2.817 20 0 HFADMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCc3ncccn3)cc2)cc1 ZINC000791242494 1077342060 /nfs/dbraw/zinc/34/20/60/1077342060.db2.gz IADYNIHQEKFTSP-CQSZACIVSA-N -1 1 413.455 2.688 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)CN2CCOc3c(Br)cccc3C2)cc1 ZINC000791562939 1077481267 /nfs/dbraw/zinc/48/12/67/1077481267.db2.gz GGPQFMMCBMHDPY-UHFFFAOYSA-N -1 1 419.275 2.609 20 0 HFADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(S(C)(=O)=O)cc1 ZINC000791763216 1077556280 /nfs/dbraw/zinc/55/62/80/1077556280.db2.gz FVTRMZCGJNLFPS-UHFFFAOYSA-N -1 1 411.501 2.599 20 0 HFADMM C[C@@H](CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)NC(=O)OC(C)(C)C ZINC000792248604 1077764517 /nfs/dbraw/zinc/76/45/17/1077764517.db2.gz AMWNXLDERYROMX-AWEZNQCLSA-N -1 1 405.495 2.910 20 0 HFADMM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ncccc1N1CCOCC1)CC2 ZINC000789737114 1077771841 /nfs/dbraw/zinc/77/18/41/1077771841.db2.gz BKOHCTRMFGHJJN-UHFFFAOYSA-N -1 1 401.488 2.656 20 0 HFADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)Nc3cnns3)c2)c1 ZINC000789911754 1077845461 /nfs/dbraw/zinc/84/54/61/1077845461.db2.gz WXVPOHDYHFEMHP-UHFFFAOYSA-N -1 1 400.416 2.766 20 0 HFADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000789921993 1077848539 /nfs/dbraw/zinc/84/85/39/1077848539.db2.gz ABWBJUYRWQZBTJ-MRVPVSSYSA-N -1 1 404.286 2.798 20 0 HFADMM Cc1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1OCCCC(=O)[O-] ZINC000790004589 1077900062 /nfs/dbraw/zinc/90/00/62/1077900062.db2.gz DAYWPLHQISCFPP-QGZVFWFLSA-N -1 1 421.471 2.855 20 0 HFADMM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])CCO2 ZINC000792539714 1077903582 /nfs/dbraw/zinc/90/35/82/1077903582.db2.gz KYVAZOLZFZDHJJ-APPDUMDISA-N -1 1 418.368 2.523 20 0 HFADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000790046798 1077910485 /nfs/dbraw/zinc/91/04/85/1077910485.db2.gz MWVYIBALMSUUTQ-UHFFFAOYSA-N -1 1 413.858 2.619 20 0 HFADMM COc1ccc(CCS(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000790025908 1077918741 /nfs/dbraw/zinc/91/87/41/1077918741.db2.gz IJPZTMARWLJDTA-UHFFFAOYSA-N -1 1 403.500 2.868 20 0 HFADMM Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000790047020 1077928399 /nfs/dbraw/zinc/92/83/99/1077928399.db2.gz WEOYGIQQLMMHMV-WQLSENKSSA-N -1 1 419.214 2.621 20 0 HFADMM CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049341 1077928812 /nfs/dbraw/zinc/92/88/12/1077928812.db2.gz YNDURFLHTUBNJL-RYUDHWBXSA-N -1 1 412.918 2.605 20 0 HFADMM O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1nc(Cl)ccc1[O-] ZINC000790050479 1077930278 /nfs/dbraw/zinc/93/02/78/1077930278.db2.gz BSAMDDLPZPWIDJ-UHFFFAOYSA-N -1 1 410.821 2.846 20 0 HFADMM O=C(Nc1cn[nH]n1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000790061873 1077935902 /nfs/dbraw/zinc/93/59/02/1077935902.db2.gz AOYFLJXJYUGQNJ-UHFFFAOYSA-N -1 1 411.365 2.877 20 0 HFADMM O=C(Nc1cn[nH]n1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000790061934 1077935937 /nfs/dbraw/zinc/93/59/37/1077935937.db2.gz CJYHWEMEZOWXCU-UHFFFAOYSA-N -1 1 422.264 2.620 20 0 HFADMM CN1CCN(c2cccc(-c3noc(-c4cc(=O)n(-c5ccccc5)[n-]4)n3)c2)CC1 ZINC001212602039 1077941888 /nfs/dbraw/zinc/94/18/88/1077941888.db2.gz DXZAPVUCBMIKOP-UHFFFAOYSA-N -1 1 402.458 2.629 20 0 HFADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)ccc1F ZINC000790092024 1077946333 /nfs/dbraw/zinc/94/63/33/1077946333.db2.gz XPNAYEMAEGWXJU-UHFFFAOYSA-N -1 1 404.419 2.655 20 0 HFADMM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001170375439 1077961933 /nfs/dbraw/zinc/96/19/33/1077961933.db2.gz MZBMVOLASMQVNS-ZDUSSCGKSA-N -1 1 423.260 2.694 20 0 HFADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000792825864 1078006472 /nfs/dbraw/zinc/00/64/72/1078006472.db2.gz IHSFHTLNAXHAMY-HNNXBMFYSA-N -1 1 419.485 2.547 20 0 HFADMM COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1C ZINC000790384003 1078010189 /nfs/dbraw/zinc/01/01/89/1078010189.db2.gz NPDREDVZHFAPLV-UHFFFAOYSA-N -1 1 413.835 2.943 20 0 HFADMM COCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790393941 1078014016 /nfs/dbraw/zinc/01/40/16/1078014016.db2.gz MABHMKNISWWWCT-UHFFFAOYSA-N -1 1 415.851 2.873 20 0 HFADMM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1 ZINC000790394721 1078014380 /nfs/dbraw/zinc/01/43/80/1078014380.db2.gz UXUAMHRLGPCZKU-UHFFFAOYSA-N -1 1 412.851 2.597 20 0 HFADMM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)[nH]1 ZINC000790400595 1078026124 /nfs/dbraw/zinc/02/61/24/1078026124.db2.gz YOFZODCCGAGZRR-UHFFFAOYSA-N -1 1 402.185 2.690 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c(F)cc1Br ZINC000790401795 1078026334 /nfs/dbraw/zinc/02/63/34/1078026334.db2.gz BAARHHUGIAUJAX-UHFFFAOYSA-N -1 1 419.228 2.585 20 0 HFADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000806449117 1079719469 /nfs/dbraw/zinc/71/94/69/1079719469.db2.gz QYMOYMTUZJHVIJ-HNNXBMFYSA-N -1 1 402.451 2.747 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NCCCc3ccc(Br)cc3F)ccnc1-2 ZINC000806490969 1079741597 /nfs/dbraw/zinc/74/15/97/1079741597.db2.gz RSROPQDRLXHOQG-UHFFFAOYSA-N -1 1 406.259 2.998 20 0 HFADMM CCN1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000806491815 1079743027 /nfs/dbraw/zinc/74/30/27/1079743027.db2.gz SZHKBLUUXTYRLK-AEFFLSMTSA-N -1 1 418.423 2.716 20 0 HFADMM COC(=O)c1csc(-c2cccc(CNC(=O)N=c3ccnc4n(C)[n-]cc3-4)c2)n1 ZINC000806493062 1079743691 /nfs/dbraw/zinc/74/36/91/1079743691.db2.gz OQZVQVDENCTWMH-UHFFFAOYSA-N -1 1 422.470 2.574 20 0 HFADMM C[C@H]1CCN(C(=O)Nc2cccc(N3CCC3=O)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806499533 1079751028 /nfs/dbraw/zinc/75/10/28/1079751028.db2.gz ZVNOHQNBRYTAPJ-MKBNYLNASA-N -1 1 412.412 2.733 20 0 HFADMM CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806482254 1079767555 /nfs/dbraw/zinc/76/75/55/1079767555.db2.gz MDELMAYPPIMGMK-HNNXBMFYSA-N -1 1 424.505 2.520 20 0 HFADMM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483710 1079770433 /nfs/dbraw/zinc/77/04/33/1079770433.db2.gz NREAVVKMDDUQOB-OAHLLOKOSA-N -1 1 401.474 2.633 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4ccccc4Br)C3)ccnc1-2 ZINC000806485231 1079771222 /nfs/dbraw/zinc/77/12/22/1079771222.db2.gz WPJKGPCQZOARLG-LBPRGKRZSA-N -1 1 415.295 2.505 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)ccnc1-2 ZINC000806484706 1079771549 /nfs/dbraw/zinc/77/15/49/1079771549.db2.gz MVPBBBQMCBQDHZ-AWEZNQCLSA-N -1 1 421.436 2.942 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)ccnc1-2 ZINC000806484710 1079771592 /nfs/dbraw/zinc/77/15/92/1079771592.db2.gz MVPBBBQMCBQDHZ-CQSZACIVSA-N -1 1 421.436 2.942 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CCCCC3)ccnc1-2 ZINC000806486001 1079771828 /nfs/dbraw/zinc/77/18/28/1079771828.db2.gz HWDVINVSQVOHKH-KRWDZBQOSA-N -1 1 416.526 2.937 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccnc1-2 ZINC000806488298 1079773477 /nfs/dbraw/zinc/77/34/77/1079773477.db2.gz LPSMIYJCMUFELS-UHFFFAOYSA-N -1 1 404.396 2.715 20 0 HFADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c1F ZINC000806568697 1079828110 /nfs/dbraw/zinc/82/81/10/1079828110.db2.gz XBHYKVBWICARAJ-YOEHRIQHSA-N -1 1 406.479 2.774 20 0 HFADMM C[C@H]1CCN(C(=S)Nc2ccc3c(c2)OCCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806596542 1079838958 /nfs/dbraw/zinc/83/89/58/1079838958.db2.gz ZAHFHYQTLLSKOV-PGUXBMHVSA-N -1 1 417.453 2.932 20 0 HFADMM CCCCO[C@H](C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C ZINC001130701243 1079901273 /nfs/dbraw/zinc/90/12/73/1079901273.db2.gz OZYWTVDRPXCQFR-MCIONIFRSA-N -1 1 424.460 2.571 20 0 HFADMM CC(C)(C)OC(=O)[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C=C1CCCC1 ZINC001130701804 1079902206 /nfs/dbraw/zinc/90/22/06/1079902206.db2.gz XPEWAXLJNVXGGG-HIFRSBDPSA-N -1 1 404.429 2.867 20 0 HFADMM Cc1ccc(C(=O)N2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)cc1F ZINC000747361794 1080056340 /nfs/dbraw/zinc/05/63/40/1080056340.db2.gz YQXWDPCKKSWFED-UHFFFAOYSA-N -1 1 400.454 2.660 20 0 HFADMM CCOc1ccc(C[C@@H](CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C(=O)OC)cc1 ZINC000747367136 1080177177 /nfs/dbraw/zinc/17/71/77/1080177177.db2.gz OKRHZBGFOVXRDN-INIZCTEOSA-N -1 1 415.490 2.774 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000747377888 1080379406 /nfs/dbraw/zinc/37/94/06/1080379406.db2.gz VOQWJPOHPAJKOA-UHFFFAOYSA-N -1 1 410.518 2.921 20 0 HFADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000747377792 1080380229 /nfs/dbraw/zinc/38/02/29/1080380229.db2.gz SSCXEAZIVBRVLS-UHFFFAOYSA-N -1 1 411.506 2.742 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000747380326 1080387702 /nfs/dbraw/zinc/38/77/02/1080387702.db2.gz FWVABOCLEVXVRR-UHFFFAOYSA-N -1 1 402.476 2.606 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000747386957 1080459827 /nfs/dbraw/zinc/45/98/27/1080459827.db2.gz RIHQKDMWTRYFOK-ZDUSSCGKSA-N -1 1 410.540 2.980 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000747390189 1080509491 /nfs/dbraw/zinc/50/94/91/1080509491.db2.gz NCNDVEMEBAQZIB-GFCCVEGCSA-N -1 1 402.524 2.849 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C3CC3)ccnc1-2 ZINC000807400270 1080594829 /nfs/dbraw/zinc/59/48/29/1080594829.db2.gz YGONLEZDAIKZSQ-UHFFFAOYSA-N -1 1 418.284 2.778 20 0 HFADMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc4c3COC4=O)cc2)C[C@H](C)O1 ZINC000747406890 1080800062 /nfs/dbraw/zinc/80/00/62/1080800062.db2.gz BISVPSRHQPICHW-OKILXGFUSA-N -1 1 402.472 2.771 20 0 HFADMM C[C@](NC(=O)N[C@@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1cccc(Br)c1 ZINC000797726036 939188535 /nfs/dbraw/zinc/18/85/35/939188535.db2.gz YRQOWFXLHNEUQA-CXAGYDPISA-N -1 1 407.268 2.849 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)O[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000746935365 1078077935 /nfs/dbraw/zinc/07/79/35/1078077935.db2.gz SFCRWGFDZAHQNG-GFCCVEGCSA-N -1 1 418.400 2.833 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000746934784 1078080463 /nfs/dbraw/zinc/08/04/63/1078080463.db2.gz ODMNUMPPYVMADY-ZDUSSCGKSA-N -1 1 408.458 2.505 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)NCCC1=CCCCC1 ZINC000746935818 1078080963 /nfs/dbraw/zinc/08/09/63/1078080963.db2.gz QHUNEOURKQTZQW-UHFFFAOYSA-N -1 1 400.479 2.534 20 0 HFADMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1 ZINC000793368041 1078149575 /nfs/dbraw/zinc/14/95/75/1078149575.db2.gz PGVBZXGEHIBEOQ-UHFFFAOYSA-N -1 1 408.451 2.861 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000793367251 1078150058 /nfs/dbraw/zinc/15/00/58/1078150058.db2.gz IEUJJASAIBLFDL-UHFFFAOYSA-N -1 1 403.412 2.527 20 0 HFADMM COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000793371873 1078151766 /nfs/dbraw/zinc/15/17/66/1078151766.db2.gz CZZIVJYIVGZFHV-JKSUJKDBSA-N -1 1 405.476 2.753 20 0 HFADMM C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)C1 ZINC000793347336 1078154955 /nfs/dbraw/zinc/15/49/55/1078154955.db2.gz XGRCLZSQSYLZNG-LLVKDONJSA-N -1 1 404.891 2.672 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2CCN3C(C)=O)c(C)cc1F ZINC000793407907 1078157635 /nfs/dbraw/zinc/15/76/35/1078157635.db2.gz IFUYBWZKSWGFGE-UHFFFAOYSA-N -1 1 406.435 2.631 20 0 HFADMM CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(I)ccc1[O-] ZINC000790829824 1078159475 /nfs/dbraw/zinc/15/94/75/1078159475.db2.gz WRAUOVULZOBLTN-UHFFFAOYSA-N -1 1 418.231 2.995 20 0 HFADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)cc1OC ZINC000793431881 1078170276 /nfs/dbraw/zinc/17/02/76/1078170276.db2.gz PILKSDNMOQWFLW-UHFFFAOYSA-N -1 1 411.407 2.517 20 0 HFADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C(=O)NC1CC1 ZINC000793418052 1078177359 /nfs/dbraw/zinc/17/73/59/1078177359.db2.gz HNGKFPIWFMMZQN-GFCCVEGCSA-N -1 1 422.890 2.965 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000794124262 1078374816 /nfs/dbraw/zinc/37/48/16/1078374816.db2.gz LYPDODGUQSDLMX-UHFFFAOYSA-N -1 1 423.800 2.549 20 0 HFADMM C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804664794 1078474658 /nfs/dbraw/zinc/47/46/58/1078474658.db2.gz BHKOTXRLKWHZHL-ZBFHGGJFSA-N -1 1 417.535 2.881 20 0 HFADMM CCOC(=O)c1nc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc(C(C)(C)C)n1 ZINC000804682729 1078524758 /nfs/dbraw/zinc/52/47/58/1078524758.db2.gz AVOCJCRRLONEHE-UHFFFAOYSA-N -1 1 416.444 2.846 20 0 HFADMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001129895288 1078589680 /nfs/dbraw/zinc/58/96/80/1078589680.db2.gz BJQBSDVHTBLRPA-MLGOLLRUSA-N -1 1 422.451 2.852 20 0 HFADMM COc1cccc(COCC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001129895294 1078589868 /nfs/dbraw/zinc/58/98/68/1078589868.db2.gz BTYRCTRZAGOIRS-INIZCTEOSA-N -1 1 422.403 2.848 20 0 HFADMM Cn1nc2c(c1C(=O)N1c3ccccc3C[C@H]1C[N-]C(=O)C(F)(F)F)CCCC2 ZINC001129896843 1078591180 /nfs/dbraw/zinc/59/11/80/1078591180.db2.gz VVKRXIMDUYAVRB-ZDUSSCGKSA-N -1 1 406.408 2.549 20 0 HFADMM CO[C@H](Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001129896820 1078591208 /nfs/dbraw/zinc/59/12/08/1078591208.db2.gz VGEZVQTZWJOGCA-SJLPKXTDSA-N -1 1 406.404 2.881 20 0 HFADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC001129934672 1078598862 /nfs/dbraw/zinc/59/88/62/1078598862.db2.gz JMHGOYOCWZBBAZ-DEOSSOPVSA-N -1 1 424.545 2.787 20 0 HFADMM CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)CC1 ZINC000804762540 1078613463 /nfs/dbraw/zinc/61/34/63/1078613463.db2.gz JLMUWJHTEQVGOH-OAHLLOKOSA-N -1 1 409.914 2.813 20 0 HFADMM COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1=O ZINC001129639619 1078617421 /nfs/dbraw/zinc/61/74/21/1078617421.db2.gz ZVDIWRTXWMCUDG-LLVKDONJSA-N -1 1 416.865 2.715 20 0 HFADMM COc1cc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000804635525 1078716756 /nfs/dbraw/zinc/71/67/56/1078716756.db2.gz MKBLWGQLNJDXCT-UONOGXRCSA-N -1 1 412.870 2.564 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)c(Br)n1C ZINC000804946267 1078775553 /nfs/dbraw/zinc/77/55/53/1078775553.db2.gz BPAYDVUFMLELJT-UHFFFAOYSA-N -1 1 416.341 2.895 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](C)Sc2ccccc2)c(Br)n1C ZINC000805018672 1078829921 /nfs/dbraw/zinc/82/99/21/1078829921.db2.gz RJXWXRQJSPWAAQ-SNVBAGLBSA-N -1 1 404.355 2.950 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NOCCCOC)c2)cc1 ZINC000805040811 1078857640 /nfs/dbraw/zinc/85/76/40/1078857640.db2.gz ZCRUKOAKONCAHA-UHFFFAOYSA-N -1 1 408.476 2.584 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c(Br)n1C ZINC000805063635 1078874805 /nfs/dbraw/zinc/87/48/05/1078874805.db2.gz RYMGAWDQHQLUKZ-ZIAGYGMSSA-N -1 1 414.325 2.690 20 0 HFADMM Cc1nc(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)nc2ccccc12 ZINC000805052266 1078866109 /nfs/dbraw/zinc/86/61/09/1078866109.db2.gz VVEXYQJEQDTLQB-BNLOLNQZSA-N -1 1 423.439 2.925 20 0 HFADMM CCC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@H](O)c1ccccc1 ZINC000805085984 1078915057 /nfs/dbraw/zinc/91/50/57/1078915057.db2.gz XTIODWNPNFDQSW-UONOGXRCSA-N -1 1 416.341 2.672 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2nccn2-c2ccccc2)c(Br)n1C ZINC000805127828 1078926943 /nfs/dbraw/zinc/92/69/43/1078926943.db2.gz FNQZXOOMXZHAFA-NSHDSACASA-N -1 1 424.324 2.716 20 0 HFADMM O=C(OCc1ccccc1)N1CCC(S(=O)(=O)[N-][C@H]2CCCC2(F)F)CC1 ZINC000805142010 1078939007 /nfs/dbraw/zinc/93/90/07/1078939007.db2.gz NCUQFUUWFRAKKH-INIZCTEOSA-N -1 1 402.463 2.895 20 0 HFADMM C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805152099 1078946868 /nfs/dbraw/zinc/94/68/68/1078946868.db2.gz JKHPSYHEPLXBRV-UJOWSUJOSA-N -1 1 405.461 2.677 20 0 HFADMM CC(=O)Nc1ccccc1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805152153 1078948031 /nfs/dbraw/zinc/94/80/31/1078948031.db2.gz LDVXJBZDINGZQM-MKBNYLNASA-N -1 1 414.428 2.632 20 0 HFADMM COC[C@@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000805252075 1078985811 /nfs/dbraw/zinc/98/58/11/1078985811.db2.gz WBPWAMMHIHKMDT-UGQVUOCMSA-N -1 1 401.429 2.861 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)c3nncn3C)c2)c1 ZINC000805332353 1079023053 /nfs/dbraw/zinc/02/30/53/1079023053.db2.gz RQUQQDGYLQXOBN-AWEZNQCLSA-N -1 1 400.460 2.842 20 0 HFADMM CCOC(=O)C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)=O ZINC000805337183 1079024637 /nfs/dbraw/zinc/02/46/37/1079024637.db2.gz KJURSAPBQCIZHY-GOSISDBHSA-N -1 1 419.455 2.555 20 0 HFADMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1nncn1C ZINC000805335471 1079024708 /nfs/dbraw/zinc/02/47/08/1079024708.db2.gz USBUSNUZFDSMER-GFCCVEGCSA-N -1 1 404.423 2.673 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)c3nncn3C)cc2)cc1 ZINC000805380635 1079053601 /nfs/dbraw/zinc/05/36/01/1079053601.db2.gz UUBSBJAURWUPRH-CQSZACIVSA-N -1 1 400.460 2.842 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)c3nncn3C)c2)cc1 ZINC000805539967 1079129573 /nfs/dbraw/zinc/12/95/73/1079129573.db2.gz DPPUNCUNHFTNAI-AWEZNQCLSA-N -1 1 400.460 2.842 20 0 HFADMM Cc1nn(C)c2nc(C)cc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)c12 ZINC000806016433 1079390722 /nfs/dbraw/zinc/39/07/22/1079390722.db2.gz UZDLIUQWZDVFKD-UHFFFAOYSA-N -1 1 418.457 2.851 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CN1C(=O)CCc2ccccc21 ZINC000806017150 1079392302 /nfs/dbraw/zinc/39/23/02/1079392302.db2.gz AJXVMGYBOSZGDV-UHFFFAOYSA-N -1 1 418.453 2.618 20 0 HFADMM Cc1cc2nc(C)cc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)n2n1 ZINC000806018177 1079393147 /nfs/dbraw/zinc/39/31/47/1079393147.db2.gz AUCQSZTUDPLVTC-UHFFFAOYSA-N -1 1 404.430 2.612 20 0 HFADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020878 1079394279 /nfs/dbraw/zinc/39/42/79/1079394279.db2.gz ZWJLCWGVZIREFU-UHFFFAOYSA-N -1 1 420.429 2.649 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cn(C)nc1-c1ccncc1 ZINC000806020438 1079394541 /nfs/dbraw/zinc/39/45/41/1079394541.db2.gz QZUNXSBBVZLBFT-UHFFFAOYSA-N -1 1 416.441 2.748 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)cc2)ccc1F ZINC000806068306 1079434254 /nfs/dbraw/zinc/43/42/54/1079434254.db2.gz KHPDMTACNUGCOP-SCLBCKFNSA-N -1 1 420.462 2.711 20 0 HFADMM CC[C@H](CN(C)C(=O)CCn1cc[n-]c(=O)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787521803 1076846119 /nfs/dbraw/zinc/84/61/19/1076846119.db2.gz GCOXDFGDDOCXRC-GFCCVEGCSA-N -1 1 414.289 2.550 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)n[n-]1 ZINC000787907138 1076989752 /nfs/dbraw/zinc/98/97/52/1076989752.db2.gz YLXJGRBGWDPJDU-UHFFFAOYSA-N -1 1 416.384 2.865 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)n1 ZINC000787907138 1076989754 /nfs/dbraw/zinc/98/97/54/1076989754.db2.gz YLXJGRBGWDPJDU-UHFFFAOYSA-N -1 1 416.384 2.865 20 0 HFADMM CCOC(=O)c1nc(CNC(=O)COc2ccc(C3SCCCS3)cc2)n[n-]1 ZINC000787906874 1076990040 /nfs/dbraw/zinc/99/00/40/1076990040.db2.gz VEUDEQMZURNQSC-UHFFFAOYSA-N -1 1 422.532 2.545 20 0 HFADMM CCOC(=O)c1n[n-]c(CNC(=O)COc2ccc(C3SCCCS3)cc2)n1 ZINC000787906874 1076990044 /nfs/dbraw/zinc/99/00/44/1076990044.db2.gz VEUDEQMZURNQSC-UHFFFAOYSA-N -1 1 422.532 2.545 20 0 HFADMM CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954212 1077007510 /nfs/dbraw/zinc/00/75/10/1077007510.db2.gz DRZOGQUTIWZRLS-UHFFFAOYSA-N -1 1 401.369 2.672 20 0 HFADMM COc1ccc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1OC ZINC000787956524 1077008135 /nfs/dbraw/zinc/00/81/35/1077008135.db2.gz SWNXTDUFWFWWRD-UHFFFAOYSA-N -1 1 415.377 2.530 20 0 HFADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C1CC1 ZINC000788063876 1077047481 /nfs/dbraw/zinc/04/74/81/1077047481.db2.gz YVWISDFPYBAKRO-LLVKDONJSA-N -1 1 414.680 2.862 20 0 HFADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NOC[C@@H]2CCOC2)cc1 ZINC000788117651 1077058458 /nfs/dbraw/zinc/05/84/58/1077058458.db2.gz JNXZXCAATFIOIK-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1 ZINC000788497663 1077182216 /nfs/dbraw/zinc/18/22/16/1077182216.db2.gz DEICMGZBUHJARN-UHFFFAOYSA-N -1 1 417.487 2.511 20 0 HFADMM CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCCCC1 ZINC000746748708 1077197428 /nfs/dbraw/zinc/19/74/28/1077197428.db2.gz JLLKQZOTWCFVPC-UHFFFAOYSA-N -1 1 404.463 2.714 20 0 HFADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(O)(C(C)C)C1 ZINC000788616862 1077229560 /nfs/dbraw/zinc/22/95/60/1077229560.db2.gz MCONPVAKAIHOEC-UHFFFAOYSA-N -1 1 406.479 2.778 20 0 HFADMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)c1nnnn1C1CC1 ZINC000790935652 1077239566 /nfs/dbraw/zinc/23/95/66/1077239566.db2.gz BAUWNKGQVGPBRE-LURJTMIESA-N -1 1 424.683 2.603 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000788748533 1077288821 /nfs/dbraw/zinc/28/88/21/1077288821.db2.gz VCQFPUWBAULGSN-UHFFFAOYSA-N -1 1 403.460 2.502 20 0 HFADMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3C)nc2)c1 ZINC000788841322 1077316946 /nfs/dbraw/zinc/31/69/46/1077316946.db2.gz HYMFRTBCQKRCIV-UHFFFAOYSA-N -1 1 400.460 2.862 20 0 HFADMM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)oc2c1)C1=Cc2ccccc2OC1 ZINC000788844189 1077317824 /nfs/dbraw/zinc/31/78/24/1077317824.db2.gz SDXPMKVYIOHTFS-UHFFFAOYSA-N -1 1 413.455 2.840 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)c3cc(Cl)ccc3I)ccnc1-2 ZINC000791166953 1077322997 /nfs/dbraw/zinc/32/29/97/1077322997.db2.gz MGNWDBWWTYPWMM-UHFFFAOYSA-N -1 1 412.618 2.852 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169572 1077325019 /nfs/dbraw/zinc/32/50/19/1077325019.db2.gz UGBQAZQVDSVLFP-UHFFFAOYSA-N -1 1 413.453 2.588 20 0 HFADMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000791230614 1077337766 /nfs/dbraw/zinc/33/77/66/1077337766.db2.gz UFDSXIDIMRKAFV-QGZVFWFLSA-N -1 1 418.375 2.680 20 0 HFADMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000791432458 1077405763 /nfs/dbraw/zinc/40/57/63/1077405763.db2.gz OBUSTZVPSDDKHE-UHFFFAOYSA-N -1 1 410.814 2.852 20 0 HFADMM O=S(=O)(c1ccc([O-])c(NC(=S)NCCc2ccc(F)cc2)c1)N1CCCC1 ZINC000789173494 1077443040 /nfs/dbraw/zinc/44/30/40/1077443040.db2.gz OHGMQABPUQEPKN-UHFFFAOYSA-N -1 1 423.535 2.845 20 0 HFADMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)OCc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000789294137 1077502276 /nfs/dbraw/zinc/50/22/76/1077502276.db2.gz JWQKSLAZFCNPIK-HNNXBMFYSA-N -1 1 401.415 2.799 20 0 HFADMM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)cc1OCC ZINC000789329999 1077523205 /nfs/dbraw/zinc/52/32/05/1077523205.db2.gz HSLYDEZPTLEZAV-UHFFFAOYSA-N -1 1 407.492 2.595 20 0 HFADMM CC[C@H](C)n1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1C ZINC000791680199 1077526105 /nfs/dbraw/zinc/52/61/05/1077526105.db2.gz XKLZXHFOUAYDCT-NSHDSACASA-N -1 1 409.389 2.877 20 0 HFADMM O=C(COC(=O)c1cccnc1OCc1ccccc1F)[N-]C(=O)c1ccccc1 ZINC000791756107 1077553746 /nfs/dbraw/zinc/55/37/46/1077553746.db2.gz FTXXKEBSDYSDSK-UHFFFAOYSA-N -1 1 408.385 2.913 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791962420 1077635765 /nfs/dbraw/zinc/63/57/65/1077635765.db2.gz IINIPAQAUSXQTI-LJQANCHMSA-N -1 1 422.485 2.719 20 0 HFADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC[C@H]3CNC(=O)C3)ccc2C)cc1 ZINC000792008105 1077647642 /nfs/dbraw/zinc/64/76/42/1077647642.db2.gz HRFXHERHDRNWMQ-MRXNPFEDSA-N -1 1 416.499 2.787 20 0 HFADMM COc1nc(Br)ccc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000789697287 1077732872 /nfs/dbraw/zinc/73/28/72/1077732872.db2.gz BHKFJMLMVQBNBY-UHFFFAOYSA-N -1 1 413.297 2.950 20 0 HFADMM CS(=O)(=O)c1ccc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1 ZINC000792295598 1077793264 /nfs/dbraw/zinc/79/32/64/1077793264.db2.gz VNZTYQAESIHHCS-UHFFFAOYSA-N -1 1 406.847 2.992 20 0 HFADMM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000789920977 1077847959 /nfs/dbraw/zinc/84/79/59/1077847959.db2.gz DCWFCTRZUCCKSR-HNNXBMFYSA-N -1 1 423.439 2.881 20 0 HFADMM 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ZINC001255793253 1126160242 /nfs/dbraw/zinc/16/02/42/1126160242.db2.gz ITKGQHDATOAKCO-GFCCVEGCSA-N -1 1 401.776 2.685 20 0 HFADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000780392084 939113962 /nfs/dbraw/zinc/11/39/62/939113962.db2.gz JELMFBGOKFJENC-LZJOCLMNSA-N -1 1 411.502 2.921 20 0 HFADMM O=C(c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000790603406 1078065172 /nfs/dbraw/zinc/06/51/72/1078065172.db2.gz FLWITJJQWZODAN-AWEZNQCLSA-N -1 1 420.260 2.859 20 0 HFADMM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793177881 1078094726 /nfs/dbraw/zinc/09/47/26/1078094726.db2.gz BLXWLYKNWSYUQA-UHFFFAOYSA-N -1 1 410.377 2.918 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c(C)cc1F ZINC000793368128 1078149849 /nfs/dbraw/zinc/14/98/49/1078149849.db2.gz UGMKQHMGQAVGCU-UHFFFAOYSA-N -1 1 408.451 2.860 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)c(C)cc1F ZINC000793406674 1078157390 /nfs/dbraw/zinc/15/73/90/1078157390.db2.gz DFRDCDYRVANNIU-UHFFFAOYSA-N -1 1 407.423 2.699 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CCOC(C)=O)c2)c(C)cc1F ZINC000793416073 1078160543 /nfs/dbraw/zinc/16/05/43/1078160543.db2.gz PFKLAVGMVMTAOK-UHFFFAOYSA-N -1 1 409.435 2.827 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c(C)cc1F ZINC000793428502 1078169635 /nfs/dbraw/zinc/16/96/35/1078169635.db2.gz DLYCIMQSPJHLCK-UHFFFAOYSA-N -1 1 404.419 2.573 20 0 HFADMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OC(=O)NC)c2)cc1 ZINC000793451787 1078175194 /nfs/dbraw/zinc/17/51/94/1078175194.db2.gz HRUDDQXYRNYYPL-UHFFFAOYSA-N -1 1 405.476 2.688 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000793453557 1078191725 /nfs/dbraw/zinc/19/17/25/1078191725.db2.gz VDSAIPCNUSKSOC-GFCCVEGCSA-N -1 1 403.460 2.503 20 0 HFADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000772834861 1078233605 /nfs/dbraw/zinc/23/36/05/1078233605.db2.gz WHJMKJKWHOZBNB-GOSISDBHSA-N -1 1 424.906 2.892 20 0 HFADMM CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)ccc21 ZINC000793717425 1078263373 /nfs/dbraw/zinc/26/33/73/1078263373.db2.gz KTDNXVQTYKUHBC-MRXNPFEDSA-N -1 1 412.494 2.907 20 0 HFADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000794125522 1078375053 /nfs/dbraw/zinc/37/50/53/1078375053.db2.gz MAAFGCDVRRVOHB-UHFFFAOYSA-N -1 1 410.377 2.708 20 0 HFADMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NOCCSC)c2)c1 ZINC000794190360 1078383256 /nfs/dbraw/zinc/38/32/56/1078383256.db2.gz AKCXDZOMPBCREB-UHFFFAOYSA-N -1 1 406.460 2.686 20 0 HFADMM CC(C)C[C@](C)(NC(=O)CCn1cc[n-]c(=O)c1=O)c1cccc(Br)c1 ZINC000794223132 1078387099 /nfs/dbraw/zinc/38/70/99/1078387099.db2.gz TZYPTZXGPRLIFB-IBGZPJMESA-N -1 1 422.323 2.767 20 0 HFADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc4scc(Br)c4c3)nc2n1 ZINC001129409112 1078441748 /nfs/dbraw/zinc/44/17/48/1078441748.db2.gz MXMAZYILAVVFLK-UHFFFAOYSA-N -1 1 404.249 2.956 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(-n2ccnn2)c1)C(F)(F)F ZINC001129896154 1078590281 /nfs/dbraw/zinc/59/02/81/1078590281.db2.gz KZFKJVDCKOWJCJ-INIZCTEOSA-N -1 1 415.375 2.517 20 0 HFADMM O=C(C=Cc1ccc(I)o1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129638884 1078616910 /nfs/dbraw/zinc/61/69/10/1078616910.db2.gz DZRSFSHVBXDSMP-VURMDHGXSA-N -1 1 411.199 2.911 20 0 HFADMM COc1ccc([C@H]2[C@@H](C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)CCC(=O)N2C)cc1 ZINC001129640115 1078617385 /nfs/dbraw/zinc/61/73/85/1078617385.db2.gz ZACYIRVSRVMLDG-LPHOPBHVSA-N -1 1 410.474 2.618 20 0 HFADMM COC(=O)Nc1cccc(CNC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000804608071 1078653562 /nfs/dbraw/zinc/65/35/62/1078653562.db2.gz BAYZXNVDILFUFU-UHFFFAOYSA-N -1 1 421.457 2.980 20 0 HFADMM COc1ccccc1OCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804859306 1078684795 /nfs/dbraw/zinc/68/47/95/1078684795.db2.gz DWDSFQBMRQKAFD-XEZPLFJOSA-N -1 1 417.428 2.561 20 0 HFADMM COc1ccc(OCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000804861426 1078686898 /nfs/dbraw/zinc/68/68/98/1078686898.db2.gz YRELTQPRPCIMCQ-XEZPLFJOSA-N -1 1 417.428 2.561 20 0 HFADMM CSc1nc(C)c(CCC(=O)N(C)C2CCN(CC(F)(F)F)CC2)c(=O)[n-]1 ZINC001129707276 1078688827 /nfs/dbraw/zinc/68/88/27/1078688827.db2.gz TWBCSOJUOXIBDJ-UHFFFAOYSA-N -1 1 406.474 2.630 20 0 HFADMM COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000804884067 1078713158 /nfs/dbraw/zinc/71/31/58/1078713158.db2.gz ONTMKPGCHKSKNS-AWEZNQCLSA-N -1 1 412.870 2.670 20 0 HFADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000747224480 1078789637 /nfs/dbraw/zinc/78/96/37/1078789637.db2.gz YIRSKPSAJUBCFS-UHFFFAOYSA-N -1 1 404.540 2.708 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3cccc(C)c23)c(Br)n1C ZINC000805026910 1078838445 /nfs/dbraw/zinc/83/84/45/1078838445.db2.gz BJGNOBIMLNEZAT-UHFFFAOYSA-N -1 1 411.325 2.802 20 0 HFADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1(CC)CC ZINC000805028141 1078841585 /nfs/dbraw/zinc/84/15/85/1078841585.db2.gz YRXXFEYULYQNHP-VXGBXAGGSA-N -1 1 408.362 2.753 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c(Br)n1C ZINC000805029685 1078842143 /nfs/dbraw/zinc/84/21/43/1078842143.db2.gz SSXPCNSQGMGENZ-ZDUSSCGKSA-N -1 1 416.366 2.800 20 0 HFADMM CC[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1cccc(C)c1 ZINC000805029258 1078842411 /nfs/dbraw/zinc/84/24/11/1078842411.db2.gz OPHLZOUGCRZNJS-CYBMUJFWSA-N -1 1 416.341 2.935 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)c(Br)n1C ZINC000804994092 1078845505 /nfs/dbraw/zinc/84/55/05/1078845505.db2.gz YRYZLYADAPAMEP-UHFFFAOYSA-N -1 1 416.341 2.972 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)c2ccc3ccccc3c2)c(Br)n1C ZINC000805009303 1078854071 /nfs/dbraw/zinc/85/40/71/1078854071.db2.gz PINVQKKXEVWUIG-OAHLLOKOSA-N -1 1 424.320 2.656 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c(Br)n1C ZINC000805012458 1078856369 /nfs/dbraw/zinc/85/63/69/1078856369.db2.gz JCEBLYROUWTAQD-UHFFFAOYSA-N -1 1 402.289 2.640 20 0 HFADMM Cc1nc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(Br)n1C ZINC000805046058 1078861766 /nfs/dbraw/zinc/86/17/66/1078861766.db2.gz DCMGUJGFRRGETH-UHFFFAOYSA-N -1 1 408.705 2.502 20 0 HFADMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)CO2 ZINC000805037353 1078883978 /nfs/dbraw/zinc/88/39/78/1078883978.db2.gz ZMEDSTNWNVPKIU-GFCCVEGCSA-N -1 1 421.418 2.701 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c(Br)n1C ZINC000805137211 1078935265 /nfs/dbraw/zinc/93/52/65/1078935265.db2.gz FHPAPLIJFLLHSN-GFCCVEGCSA-N -1 1 422.732 2.546 20 0 HFADMM Cc1ccc2[nH]c(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)nc2c1 ZINC000805166482 1078956160 /nfs/dbraw/zinc/95/61/60/1078956160.db2.gz LSRJBDNANZKJGZ-MKBNYLNASA-N -1 1 411.428 2.858 20 0 HFADMM Cc1ccc2nc(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)[nH]c2c1 ZINC000805166482 1078956161 /nfs/dbraw/zinc/95/61/61/1078956161.db2.gz LSRJBDNANZKJGZ-MKBNYLNASA-N -1 1 411.428 2.858 20 0 HFADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805172022 1078957708 /nfs/dbraw/zinc/95/77/08/1078957708.db2.gz KBDFKWSASPSYRI-UVPYHEFZSA-N -1 1 407.477 2.925 20 0 HFADMM C[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805326930 1079020108 /nfs/dbraw/zinc/02/01/08/1079020108.db2.gz OGDLNVWZXPFOPU-PGUXBMHVSA-N -1 1 407.383 2.994 20 0 HFADMM CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805230028 1079113148 /nfs/dbraw/zinc/11/31/48/1079113148.db2.gz GNCRZQYKBGGJJF-MKBNYLNASA-N -1 1 417.476 2.532 20 0 HFADMM Cc1ccc(S(=O)(=O)CCCN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805787001 1079254528 /nfs/dbraw/zinc/25/45/28/1079254528.db2.gz GAHCTTWRPDKPIU-ZOBUZTSGSA-N -1 1 420.497 2.936 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](OC)C(F)(F)F)c(Cl)cc1Cl ZINC000747271616 1079317008 /nfs/dbraw/zinc/31/70/08/1079317008.db2.gz SCOHREYIMVGQFB-JTQLQIEISA-N -1 1 410.197 2.636 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CNC(=O)CC1CCCCC1 ZINC000806017871 1079391534 /nfs/dbraw/zinc/39/15/34/1079391534.db2.gz KIKQQYYGFJMLGW-UHFFFAOYSA-N -1 1 412.490 2.725 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccc(-n2cnnc2)cc1 ZINC000806020400 1079394512 /nfs/dbraw/zinc/39/45/12/1079394512.db2.gz SHJBIYOYWCBUNQ-UHFFFAOYSA-N -1 1 402.414 2.533 20 0 HFADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1nnnn1C ZINC000787620632 1076881817 /nfs/dbraw/zinc/88/18/17/1076881817.db2.gz VGKURSPOMXSSOQ-NSHDSACASA-N -1 1 421.866 2.582 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCOCC(F)(F)C(F)(F)F ZINC000787678529 1076908762 /nfs/dbraw/zinc/90/87/62/1076908762.db2.gz GAQGXSXLEPHAOX-UHFFFAOYSA-N -1 1 411.327 2.742 20 0 HFADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCCC2(C1)OCCO2 ZINC000772705891 1076938240 /nfs/dbraw/zinc/93/82/40/1076938240.db2.gz SVKHCHKEBZFNSI-UHFFFAOYSA-N -1 1 420.462 2.606 20 0 HFADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787837447 1076958323 /nfs/dbraw/zinc/95/83/23/1076958323.db2.gz HYENPOWIKDIJLS-QGZVFWFLSA-N -1 1 416.840 2.737 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)ccc1F ZINC000788117597 1077058447 /nfs/dbraw/zinc/05/84/47/1077058447.db2.gz ISGTWDUTAAFDKE-CQSZACIVSA-N -1 1 408.451 2.633 20 0 HFADMM O=C(NOC[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000788118668 1077058657 /nfs/dbraw/zinc/05/86/57/1077058657.db2.gz PCUHGTXAJDDCSY-ZDUSSCGKSA-N -1 1 410.879 2.839 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(O)(C(C)C)C3)cc2)c1 ZINC000788617733 1077230132 /nfs/dbraw/zinc/23/01/32/1077230132.db2.gz SDGYZHFZBGUZNJ-UHFFFAOYSA-N -1 1 402.516 2.947 20 0 HFADMM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791163893 1077313374 /nfs/dbraw/zinc/31/33/74/1077313374.db2.gz GXGCDJIQHBGANU-HAVBXNNZSA-N -1 1 409.534 2.638 20 0 HFADMM Cc1c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cnn1-c1ccc(Br)cc1 ZINC000791164475 1077322228 /nfs/dbraw/zinc/32/22/28/1077322228.db2.gz KSGXTPXGDASHPW-UHFFFAOYSA-N -1 1 411.263 2.851 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(Br)n2)n[n-]1 ZINC000791167784 1077323564 /nfs/dbraw/zinc/32/35/64/1077323564.db2.gz JYRXZBFLCQWZOP-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(Br)n2)[n-]1 ZINC000791167784 1077323568 /nfs/dbraw/zinc/32/35/68/1077323568.db2.gz JYRXZBFLCQWZOP-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(Br)n2)n1 ZINC000791167784 1077323571 /nfs/dbraw/zinc/32/35/71/1077323571.db2.gz JYRXZBFLCQWZOP-LLVKDONJSA-N -1 1 410.272 2.656 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)[C@H]3CCCN(C(=O)c4cccc5ccccc54)C3)ccnc1-2 ZINC000791168359 1077324558 /nfs/dbraw/zinc/32/45/58/1077324558.db2.gz NUMMJUTUQCUMKD-KRWDZBQOSA-N -1 1 413.481 2.986 20 0 HFADMM O=S(=O)([N-][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)c(F)c1Cl ZINC000788902986 1077346695 /nfs/dbraw/zinc/34/66/95/1077346695.db2.gz PBBOLHUMNDLYAR-DGCLKSJQSA-N -1 1 408.278 2.895 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)s1 ZINC000788917685 1077354185 /nfs/dbraw/zinc/35/41/85/1077354185.db2.gz SEVJPZPETOMEED-UHFFFAOYSA-N -1 1 404.460 2.717 20 0 HFADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n[n-]1 ZINC000791283632 1077369536 /nfs/dbraw/zinc/36/95/36/1077369536.db2.gz HFPLFEOXZLPISG-DOOKAGJSSA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)[n-]1 ZINC000791283632 1077369544 /nfs/dbraw/zinc/36/95/44/1077369544.db2.gz HFPLFEOXZLPISG-DOOKAGJSSA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n1 ZINC000791283632 1077369551 /nfs/dbraw/zinc/36/95/51/1077369551.db2.gz HFPLFEOXZLPISG-DOOKAGJSSA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n[n-]1 ZINC000791283633 1077369714 /nfs/dbraw/zinc/36/97/14/1077369714.db2.gz HFPLFEOXZLPISG-FVNWOWOISA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)[n-]1 ZINC000791283633 1077369717 /nfs/dbraw/zinc/36/97/17/1077369717.db2.gz HFPLFEOXZLPISG-FVNWOWOISA-N -1 1 408.462 2.841 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=Cc2cnc3ccccc3n2)n1 ZINC000791283633 1077369720 /nfs/dbraw/zinc/36/97/20/1077369720.db2.gz HFPLFEOXZLPISG-FVNWOWOISA-N -1 1 408.462 2.841 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)ccnc1-2 ZINC000791285256 1077370092 /nfs/dbraw/zinc/37/00/92/1077370092.db2.gz GZAOSZYBJFVLBU-UHFFFAOYSA-N -1 1 418.906 2.720 20 0 HFADMM Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791285311 1077370215 /nfs/dbraw/zinc/37/02/15/1077370215.db2.gz HVAQQQYFOAVNEB-UHFFFAOYSA-N -1 1 413.231 2.771 20 0 HFADMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)[C@H](O)c1ccccn1 ZINC000791323588 1077374053 /nfs/dbraw/zinc/37/40/53/1077374053.db2.gz GOHCKASVAUGLFN-GOSISDBHSA-N -1 1 401.419 2.694 20 0 HFADMM Cc1cc(C)c(N2CC[C@@H](OC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)C2=O)c(C)c1 ZINC000789043963 1077393418 /nfs/dbraw/zinc/39/34/18/1077393418.db2.gz BEZSAKPPZAWDBY-GOSISDBHSA-N -1 1 422.485 2.868 20 0 HFADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2cccc(Br)c2C)cc1 ZINC000791505911 1077447633 /nfs/dbraw/zinc/44/76/33/1077447633.db2.gz PUBXGTSBKQOTIY-UHFFFAOYSA-N -1 1 420.259 2.808 20 0 HFADMM Cc1ccc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)c(C)c1Br ZINC000791872908 1077594145 /nfs/dbraw/zinc/59/41/45/1077594145.db2.gz DBTOZYBZWZOTIW-UHFFFAOYSA-N -1 1 405.252 2.505 20 0 HFADMM O=C1CN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)cc2)CCN1 ZINC000789728759 1077741592 /nfs/dbraw/zinc/74/15/92/1077741592.db2.gz WQGYIZOJCCYRGC-UHFFFAOYSA-N -1 1 418.277 2.870 20 0 HFADMM O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1nc(Cl)ccc1[O-] ZINC000789932389 1077877612 /nfs/dbraw/zinc/87/76/12/1077877612.db2.gz WPNGGXPMCIQVOK-UHFFFAOYSA-N -1 1 412.627 2.567 20 0 HFADMM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1O ZINC000790005077 1077900750 /nfs/dbraw/zinc/90/07/50/1077900750.db2.gz KSZKOPJUDHKBOF-UHFFFAOYSA-N -1 1 417.798 2.779 20 0 HFADMM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(S(C)(=O)=O)ccc2F)[nH]1 ZINC000792554175 1077901057 /nfs/dbraw/zinc/90/10/57/1077901057.db2.gz WUYYUJJHLOHUIX-UHFFFAOYSA-N -1 1 411.455 2.724 20 0 HFADMM CCOC(=O)c1sc2nc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)cc(C)c2c1C ZINC001170217630 1077909841 /nfs/dbraw/zinc/90/98/41/1077909841.db2.gz MBCXVACFLMJYMZ-UHFFFAOYSA-N -1 1 400.420 2.863 20 0 HFADMM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046790 1077910494 /nfs/dbraw/zinc/91/04/94/1077910494.db2.gz MRLQHCWDKHTTCN-UHFFFAOYSA-N -1 1 405.867 2.835 20 0 HFADMM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cn1 ZINC000790073114 1077922716 /nfs/dbraw/zinc/92/27/16/1077922716.db2.gz CMGDARWCQMVUSE-UHFFFAOYSA-N -1 1 410.471 2.653 20 0 HFADMM Cn1nccc1S(=O)(=O)[N-]c1ccc2c(c1F)CCN(C(=O)OC(C)(C)C)C2 ZINC000790075665 1077923302 /nfs/dbraw/zinc/92/33/02/1077923302.db2.gz ZRWXZVSUASCKFG-UHFFFAOYSA-N -1 1 410.471 2.653 20 0 HFADMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1 ZINC000790053076 1077932772 /nfs/dbraw/zinc/93/27/72/1077932772.db2.gz AAVZTCXHVYIQNP-UHFFFAOYSA-N -1 1 417.487 2.613 20 0 HFADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC[C@H]3CC(=O)N(C)C3)ccc2C)c1 ZINC000772750286 1077960187 /nfs/dbraw/zinc/96/01/87/1077960187.db2.gz LJSIWEJXLKIBOT-INIZCTEOSA-N -1 1 416.499 2.739 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cc(Cl)nc(NC)c3)c2)n1 ZINC000790159265 1077961881 /nfs/dbraw/zinc/96/18/81/1077961881.db2.gz SXNAPDAXNVRGOL-UHFFFAOYSA-N -1 1 414.853 2.669 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)c3cccc(C)c3NC(C)=O)c2)n1 ZINC000790161412 1077962951 /nfs/dbraw/zinc/96/29/51/1077962951.db2.gz ZONWVPTUVXOZBY-UHFFFAOYSA-N -1 1 421.457 2.845 20 0 HFADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1)c1ccncc1 ZINC000790351969 1078001945 /nfs/dbraw/zinc/00/19/45/1078001945.db2.gz YSTJXETVOYXKIA-UHFFFAOYSA-N -1 1 422.466 2.871 20 0 HFADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2N(C)C)cc1 ZINC000790408733 1078020067 /nfs/dbraw/zinc/02/00/67/1078020067.db2.gz IOGGUNKIKHRMTM-UHFFFAOYSA-N -1 1 407.448 2.518 20 0 HFADMM COc1ccc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000806311424 1079565904 /nfs/dbraw/zinc/56/59/04/1079565904.db2.gz JZIBKBCAEIZOON-UGSOOPFHSA-N -1 1 407.492 2.619 20 0 HFADMM CCOC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cn1C ZINC000806341179 1079612726 /nfs/dbraw/zinc/61/27/26/1079612726.db2.gz VNNGAJSWJFZDMG-MJVIPROJSA-N -1 1 418.416 2.511 20 0 HFADMM CCN1CC[C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000806491818 1079742929 /nfs/dbraw/zinc/74/29/29/1079742929.db2.gz SZHKBLUUXTYRLK-WMZOPIPTSA-N -1 1 418.423 2.716 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCC(CNC(=O)OCc4ccccc4)CC3)ccnc1-2 ZINC000806494868 1079746809 /nfs/dbraw/zinc/74/68/09/1079746809.db2.gz MDRLSNGRAYNXME-UHFFFAOYSA-N -1 1 422.489 2.512 20 0 HFADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)N=c1ccnc3n(C)[n-]cc1-3)O[C@@H](C)C2 ZINC000806481115 1079766859 /nfs/dbraw/zinc/76/68/59/1079766859.db2.gz IQJUODXHQBQOCO-YEWDVWPNSA-N -1 1 407.474 2.742 20 0 HFADMM CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806483235 1079768341 /nfs/dbraw/zinc/76/83/41/1079768341.db2.gz AZJVDBXCCNRAII-CQSZACIVSA-N -1 1 402.499 2.595 20 0 HFADMM CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482939 1079768963 /nfs/dbraw/zinc/76/89/63/1079768963.db2.gz VAXSIGWKKFAQBO-IERDGZPVSA-N -1 1 421.549 2.810 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(c4cccc(Br)c4)C3)ccnc1-2 ZINC000806487507 1079774162 /nfs/dbraw/zinc/77/41/62/1079774162.db2.gz FGXKAZQGFZJLFB-ZDUSSCGKSA-N -1 1 415.295 2.505 20 0 HFADMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCSC ZINC000806678024 1079909048 /nfs/dbraw/zinc/90/90/48/1079909048.db2.gz ZMRDCVNICBNXBB-ZFWWWQNUSA-N -1 1 419.469 2.952 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000747354911 1080009593 /nfs/dbraw/zinc/00/95/93/1080009593.db2.gz KLJFNICFVNFLJD-UHFFFAOYSA-N -1 1 400.454 2.788 20 0 HFADMM COc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1OCC(=O)NC1CC1 ZINC000747357685 1080043744 /nfs/dbraw/zinc/04/37/44/1080043744.db2.gz JTFLKNNJOHXFKZ-UHFFFAOYSA-N -1 1 414.462 2.532 20 0 HFADMM CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C12CCC2 ZINC000806860044 1080063343 /nfs/dbraw/zinc/06/33/43/1080063343.db2.gz FUVQXGMBXKFNDH-LXFSFDBISA-N -1 1 405.461 2.821 20 0 HFADMM CCCN(Cc1c(F)cccc1Cl)C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806873641 1080074076 /nfs/dbraw/zinc/07/40/76/1080074076.db2.gz DAZVXRXLRREHKI-UHFFFAOYSA-N -1 1 403.845 2.512 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCC3(c4ccc(C(C)(C)C)cc4)CCC3)ccnc1-2 ZINC000806880685 1080078483 /nfs/dbraw/zinc/07/84/83/1080078483.db2.gz WFJDKCANMIRCLV-UHFFFAOYSA-N -1 1 419.529 2.816 20 0 HFADMM Cc1ccc(Oc2ccccc2CNC(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806889686 1080086279 /nfs/dbraw/zinc/08/62/79/1080086279.db2.gz FHLHDEYOJXZKEY-UHFFFAOYSA-N -1 1 415.453 2.697 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)Nc3ccc(OCC4CCCCC4)cc3)ccnc1-2 ZINC000807006746 1080184278 /nfs/dbraw/zinc/18/42/78/1080184278.db2.gz RBKPIHPRDRXGPQ-UHFFFAOYSA-N -1 1 407.474 2.878 20 0 HFADMM C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000807367999 1080568124 /nfs/dbraw/zinc/56/81/24/1080568124.db2.gz BTHJIPVRLPAUFZ-QMMMGPOBSA-N -1 1 423.800 2.765 20 0 HFADMM CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@H](c2cccnc2)C1 ZINC000807478894 1080732236 /nfs/dbraw/zinc/73/22/36/1080732236.db2.gz JMXABHJHQJVMIP-SFHVURJKSA-N -1 1 411.458 2.791 20 0 HFADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000780392080 939114118 /nfs/dbraw/zinc/11/41/18/939114118.db2.gz JELMFBGOKFJENC-CBGDNZLLSA-N -1 1 411.502 2.921 20 0 HFADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000499181409 939230674 /nfs/dbraw/zinc/23/06/74/939230674.db2.gz OJSSCBPINRHVQS-UHFFFAOYSA-N -1 1 418.471 2.623 20 0 HFADMM Cc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1Oc1ncccc1Br ZINC000790540322 1078045935 /nfs/dbraw/zinc/04/59/35/1078045935.db2.gz VZRIMTRBVPMHTC-UHFFFAOYSA-N -1 1 420.223 2.533 20 0 HFADMM CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC000790513742 1078048747 /nfs/dbraw/zinc/04/87/47/1078048747.db2.gz GNISXIKDAHKPSW-LJQANCHMSA-N -1 1 406.504 2.755 20 0 HFADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000746934304 1078074076 /nfs/dbraw/zinc/07/40/76/1078074076.db2.gz CUCCTQFSIIOMEY-UHFFFAOYSA-N -1 1 409.398 2.540 20 0 HFADMM COC(=O)Cc1cccc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)n1 ZINC000790642182 1078073872 /nfs/dbraw/zinc/07/38/72/1078073872.db2.gz KXHHRRVUFRFGMW-KTKRTIGZSA-N -1 1 411.277 2.972 20 0 HFADMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000746936914 1078085681 /nfs/dbraw/zinc/08/56/81/1078085681.db2.gz SGTLSILBQRCYPL-KRWDZBQOSA-N -1 1 424.501 2.883 20 0 HFADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3cccc(-c4nnc[nH]4)c3)cc(Cl)c2O1 ZINC000793158329 1078092647 /nfs/dbraw/zinc/09/26/47/1078092647.db2.gz TVVFXKXQJROMOM-JTQLQIEISA-N -1 1 418.862 2.567 20 0 HFADMM CNC(=O)c1cc(C)ccc1NC(=O)c1cc(I)ccc1[O-] ZINC000790662363 1078095990 /nfs/dbraw/zinc/09/59/90/1078095990.db2.gz OEMXACMMWMBJBC-UHFFFAOYSA-N -1 1 410.211 2.917 20 0 HFADMM CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000790664176 1078096571 /nfs/dbraw/zinc/09/65/71/1078096571.db2.gz AKQDCBIAENIAAT-AWEZNQCLSA-N -1 1 419.341 2.546 20 0 HFADMM CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000790664178 1078096597 /nfs/dbraw/zinc/09/65/97/1078096597.db2.gz AKQDCBIAENIAAT-CQSZACIVSA-N -1 1 419.341 2.546 20 0 HFADMM COc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccc(Br)n3)n2)cc1 ZINC000793195706 1078098276 /nfs/dbraw/zinc/09/82/76/1078098276.db2.gz DKQZLADYEDDYIP-UHFFFAOYSA-N -1 1 409.265 2.612 20 0 HFADMM COc1ccc(-c2nc(S(=O)(=O)Cc3cccc(Br)n3)n[n-]2)cc1 ZINC000793195706 1078098280 /nfs/dbraw/zinc/09/82/80/1078098280.db2.gz DKQZLADYEDDYIP-UHFFFAOYSA-N -1 1 409.265 2.612 20 0 HFADMM C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC000793345559 1078132307 /nfs/dbraw/zinc/13/23/07/1078132307.db2.gz KDSGILIJSAOYST-LLVKDONJSA-N -1 1 404.891 2.672 20 0 HFADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)c1 ZINC000793364145 1078148663 /nfs/dbraw/zinc/14/86/63/1078148663.db2.gz RHSQYCVYAVIYON-UHFFFAOYSA-N -1 1 408.432 2.599 20 0 HFADMM COCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793364620 1078149013 /nfs/dbraw/zinc/14/90/13/1078149013.db2.gz ZEFMGWHMIDZQBN-UHFFFAOYSA-N -1 1 411.451 2.885 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cnc1C ZINC000793380530 1078149295 /nfs/dbraw/zinc/14/92/95/1078149295.db2.gz IRRUGIZCRHNQLH-UHFFFAOYSA-N -1 1 400.412 2.829 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(N3CCOC3=O)c2)c(C)cc1F ZINC000793406679 1078157399 /nfs/dbraw/zinc/15/73/99/1078157399.db2.gz VBUFOJCPUMVSBI-UHFFFAOYSA-N -1 1 422.434 2.987 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c(C)cc1F ZINC000793409846 1078158824 /nfs/dbraw/zinc/15/88/24/1078158824.db2.gz BPGZDDYRWSYJQZ-UHFFFAOYSA-N -1 1 404.423 2.611 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C)c2)cnc1C ZINC000793387747 1078163242 /nfs/dbraw/zinc/16/32/42/1078163242.db2.gz HFWHVNLMSIBWEF-UHFFFAOYSA-N -1 1 421.544 2.839 20 0 HFADMM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 ZINC000793427374 1078169646 /nfs/dbraw/zinc/16/96/46/1078169646.db2.gz HFGUCZCJGDBARO-UHFFFAOYSA-N -1 1 409.435 2.827 20 0 HFADMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c1 ZINC000793431759 1078170323 /nfs/dbraw/zinc/17/03/23/1078170323.db2.gz OOOAZQGEVMTQOG-UHFFFAOYSA-N -1 1 418.471 2.547 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000793451864 1078175171 /nfs/dbraw/zinc/17/51/71/1078175171.db2.gz JZJZBEDJSJELPS-UHFFFAOYSA-N -1 1 404.423 2.839 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000793464983 1078180345 /nfs/dbraw/zinc/18/03/45/1078180345.db2.gz WODSAKBGTRDCDF-UHFFFAOYSA-N -1 1 411.439 2.949 20 0 HFADMM CNC(=O)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000793464778 1078180561 /nfs/dbraw/zinc/18/05/61/1078180561.db2.gz SFJBNULKMBVKLF-UHFFFAOYSA-N -1 1 402.787 2.696 20 0 HFADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000793453558 1078191707 /nfs/dbraw/zinc/19/17/07/1078191707.db2.gz VDSAIPCNUSKSOC-LBPRGKRZSA-N -1 1 403.460 2.503 20 0 HFADMM O=C(CC1OCCO1)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000793767629 1078283422 /nfs/dbraw/zinc/28/34/22/1078283422.db2.gz QHIFFFCJVIDJAZ-UHFFFAOYSA-N -1 1 412.851 2.548 20 0 HFADMM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000793769825 1078306936 /nfs/dbraw/zinc/30/69/36/1078306936.db2.gz PYJNWUCGDPWJPW-AWEZNQCLSA-N -1 1 415.487 2.781 20 0 HFADMM CCOC(=O)c1nc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c[nH]1 ZINC000793963005 1078348355 /nfs/dbraw/zinc/34/83/55/1078348355.db2.gz BMAGFQJVSUKITN-UHFFFAOYSA-N -1 1 416.312 2.655 20 0 HFADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccccc2OC(F)(F)F)c1 ZINC000794125599 1078375279 /nfs/dbraw/zinc/37/52/79/1078375279.db2.gz PNMISIZRTDQLLQ-RMKNXTFCSA-N -1 1 416.377 2.851 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)c(C)cc1F ZINC000794042599 1078364542 /nfs/dbraw/zinc/36/45/42/1078364542.db2.gz NZFSRIQUKVTPMG-UHFFFAOYSA-N -1 1 422.413 2.570 20 0 HFADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NOCCSC)cc2)cc1 ZINC000794191473 1078383429 /nfs/dbraw/zinc/38/34/29/1078383429.db2.gz UPVRCPCYSKWPAB-UHFFFAOYSA-N -1 1 410.517 2.911 20 0 HFADMM CC(C)(NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(=O)N1CCCC1 ZINC000794400544 1078436057 /nfs/dbraw/zinc/43/60/57/1078436057.db2.gz FLHFPQAEPXRPHA-UHFFFAOYSA-N -1 1 415.515 2.618 20 0 HFADMM C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000804664786 1078474320 /nfs/dbraw/zinc/47/43/20/1078474320.db2.gz BHKOTXRLKWHZHL-GDBMZVCRSA-N -1 1 417.535 2.881 20 0 HFADMM C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000804440204 1078504768 /nfs/dbraw/zinc/50/47/68/1078504768.db2.gz VGELHELVXCDKGE-ZBFHGGJFSA-N -1 1 405.495 2.674 20 0 HFADMM O=C(Nc1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)s1)C1CC1 ZINC001129488079 1078507938 /nfs/dbraw/zinc/50/79/38/1078507938.db2.gz OAATWTJKLIIRQX-JTQLQIEISA-N -1 1 403.426 2.627 20 0 HFADMM Cn1nc2c(c1C(=O)N1c3ccccc3C[C@@H]1C[N-]C(=O)C(F)(F)F)CCCC2 ZINC001129896841 1078591282 /nfs/dbraw/zinc/59/12/82/1078591282.db2.gz VVKRXIMDUYAVRB-CYBMUJFWSA-N -1 1 406.408 2.549 20 0 HFADMM Cc1ccc2ncc(COC(=O)CCc3c(C)nc(N4CCOCC4)[n-]c3=O)cc2c1 ZINC001129656248 1078641877 /nfs/dbraw/zinc/64/18/77/1078641877.db2.gz USOZZPFEAKLIBJ-UHFFFAOYSA-N -1 1 422.485 2.860 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000747216731 1078661190 /nfs/dbraw/zinc/66/11/90/1078661190.db2.gz UELHYMNKBHWJQO-HNNXBMFYSA-N -1 1 401.442 2.789 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000747201410 1078670120 /nfs/dbraw/zinc/67/01/20/1078670120.db2.gz CCAMAWGRMQSCJV-UHFFFAOYSA-N -1 1 404.467 2.517 20 0 HFADMM COc1ccc(OC)c(CNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000804889195 1078747637 /nfs/dbraw/zinc/74/76/37/1078747637.db2.gz HRPCHRFBSKBDHM-MKBNYLNASA-N -1 1 417.428 2.691 20 0 HFADMM C[C@H]1CCN(C(=O)NCc2ccc(-n3cccn3)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804959747 1078799011 /nfs/dbraw/zinc/79/90/11/1078799011.db2.gz NOCMFWQFYAPBAZ-ZQIUZPCESA-N -1 1 423.439 2.859 20 0 HFADMM CC[C@H](C[N-]S(=O)(=O)c1nc(C)n(C)c1Br)Oc1ccccc1C ZINC000805029652 1078842058 /nfs/dbraw/zinc/84/20/58/1078842058.db2.gz SKGXNOXVYHTFLZ-CYBMUJFWSA-N -1 1 416.341 2.935 20 0 HFADMM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805053159 1078867275 /nfs/dbraw/zinc/86/72/75/1078867275.db2.gz JHGUCAFNAAJBKS-ZANVPECISA-N -1 1 420.304 2.685 20 0 HFADMM Cc1nc(S(=O)(=O)[N-][C@H](C)c2ccccc2-n2cccn2)c(Br)n1C ZINC000805033434 1078880185 /nfs/dbraw/zinc/88/01/85/1078880185.db2.gz CFWPCQIUGXINLU-LLVKDONJSA-N -1 1 424.324 2.716 20 0 HFADMM COc1ccccc1OCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001130087963 1078924512 /nfs/dbraw/zinc/92/45/12/1078924512.db2.gz VWFQHAJOGIVOGL-AWEZNQCLSA-N -1 1 408.376 2.710 20 0 HFADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)F ZINC001130087002 1078923439 /nfs/dbraw/zinc/92/34/39/1078923439.db2.gz KWKKGBQMNPPHGW-STQMWFEESA-N -1 1 423.357 2.507 20 0 HFADMM Cc1cc(C)cc(CS(=O)(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805127724 1078926897 /nfs/dbraw/zinc/92/68/97/1078926897.db2.gz SJJUMRJMYMEUQB-DZKIICNBSA-N -1 1 406.470 2.911 20 0 HFADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805261468 1079002133 /nfs/dbraw/zinc/00/21/33/1079002133.db2.gz BDANDSGXCSRMAZ-UHFFFAOYSA-N -1 1 415.830 2.767 20 0 HFADMM Cc1ccc(-c2cc(NC(=O)COC(=O)c3cn[n-]n3)n(-c3ccccc3)n2)cc1 ZINC000805610195 1079174030 /nfs/dbraw/zinc/17/40/30/1079174030.db2.gz XTGAKDJXSMAIQU-UHFFFAOYSA-N -1 1 402.414 2.761 20 0 HFADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805788625 1079254479 /nfs/dbraw/zinc/25/44/79/1079254479.db2.gz QLOFYXUENWFRDT-FPXQBCRKSA-N -1 1 413.484 2.820 20 0 HFADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccnc3Cl)ns2)cs1 ZINC001130413160 1079315268 /nfs/dbraw/zinc/31/52/68/1079315268.db2.gz AOPGRIQOEPFESD-UHFFFAOYSA-N -1 1 400.894 2.971 20 0 HFADMM Cc1cccc(-n2cc(C(=O)OCCc3c(C)nc(-c4ccccn4)[n-]c3=O)nn2)c1 ZINC000806015969 1079388489 /nfs/dbraw/zinc/38/84/89/1079388489.db2.gz GAURLMAGYZFEAK-UHFFFAOYSA-N -1 1 416.441 2.841 20 0 HFADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCNC(=O)C1CCCCC1 ZINC000806018529 1079392441 /nfs/dbraw/zinc/39/24/41/1079392441.db2.gz XDHZVEZDGYBHMT-UHFFFAOYSA-N -1 1 412.490 2.725 20 0 HFADMM Cc1nn2c(nc(C)cc2C)c1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020898 1079394297 /nfs/dbraw/zinc/39/42/97/1079394297.db2.gz XOVKMKLOKROIDL-UHFFFAOYSA-N -1 1 418.457 2.920 20 0 HFADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CC(=O)N(C)[C@H]2C)cc1 ZINC000806071583 1079414089 /nfs/dbraw/zinc/41/40/89/1079414089.db2.gz TXYYYOYGNIILLY-KBXCAEBGSA-N -1 1 402.472 2.572 20 0 HFADMM O=C([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1cccc2cn[nH]c21 ZINC000806108694 1079439126 /nfs/dbraw/zinc/43/91/26/1079439126.db2.gz MPIIXTJPVDSILV-UHFFFAOYSA-N -1 1 403.313 2.719 20 0 HFADMM CNC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1C ZINC000806188011 1079479137 /nfs/dbraw/zinc/47/91/37/1079479137.db2.gz NBZZSMIQDBQCHQ-WBIUFABUSA-N -1 1 414.428 2.664 20 0 HFADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787487068 1076843866 /nfs/dbraw/zinc/84/38/66/1076843866.db2.gz RRLRGWSZUGBYRB-UHFFFAOYSA-N -1 1 415.443 2.787 20 0 HFADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])NCc1ccc(Cl)cc1 ZINC000787956193 1077008346 /nfs/dbraw/zinc/00/83/46/1077008346.db2.gz QYPCMTDRUHRETN-UHFFFAOYSA-N -1 1 403.797 2.844 20 0 HFADMM CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955781 1077008370 /nfs/dbraw/zinc/00/83/70/1077008370.db2.gz OCYCJTFPVKCUAS-GFCCVEGCSA-N -1 1 401.398 2.678 20 0 HFADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])NCc1cccc(Cl)c1 ZINC000787960472 1077009790 /nfs/dbraw/zinc/00/97/90/1077009790.db2.gz YDJDPRHDGIALLT-UHFFFAOYSA-N -1 1 403.797 2.844 20 0 HFADMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)s1 ZINC000788095530 1077057196 /nfs/dbraw/zinc/05/71/96/1077057196.db2.gz XNYAQOHFUSJQRZ-UHFFFAOYSA-N -1 1 400.526 2.759 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NOC[C@@H]3CCOC3)c2)c1 ZINC000788117545 1077058396 /nfs/dbraw/zinc/05/83/96/1077058396.db2.gz HVCVJEOABOUFTO-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NOC[C@@H]3CCOC3)cc2)c1 ZINC000788122275 1077059879 /nfs/dbraw/zinc/05/98/79/1077059879.db2.gz LMAVKXQDLJLXGB-MRXNPFEDSA-N -1 1 404.488 2.802 20 0 HFADMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1 ZINC000788493789 1077180792 /nfs/dbraw/zinc/18/07/92/1077180792.db2.gz KWQYKISDFZWUFZ-WDZFZDKYSA-N -1 1 418.471 2.560 20 0 HFADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)c1 ZINC000788497649 1077182291 /nfs/dbraw/zinc/18/22/91/1077182291.db2.gz COYJFONSDSCDDP-UHFFFAOYSA-N -1 1 415.471 2.915 20 0 HFADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(O)(C(C)C)C3)cc2)ccc1F ZINC000788616693 1077229585 /nfs/dbraw/zinc/22/95/85/1077229585.db2.gz AGPUCDZNMDCZCJ-UHFFFAOYSA-N -1 1 406.479 2.778 20 0 HFADMM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1c(Cl)ccnc1Cl ZINC000790930617 1077237038 /nfs/dbraw/zinc/23/70/38/1077237038.db2.gz XXQAHCICGPPVOT-JTQLQIEISA-N -1 1 411.257 2.796 20 0 HFADMM O=C(CC1OCCO1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000788635792 1077240598 /nfs/dbraw/zinc/24/05/98/1077240598.db2.gz VLLJLLGLTXDJCU-UHFFFAOYSA-N -1 1 412.851 2.548 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)n[n-]1 ZINC000791168830 1077324203 /nfs/dbraw/zinc/32/42/03/1077324203.db2.gz SDZGWQYZQQXMDH-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)[n-]1 ZINC000791168830 1077324205 /nfs/dbraw/zinc/32/42/05/1077324205.db2.gz SDZGWQYZQQXMDH-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(NC(=O)OC)c2)n1 ZINC000791168830 1077324209 /nfs/dbraw/zinc/32/42/09/1077324209.db2.gz SDZGWQYZQQXMDH-AWEZNQCLSA-N -1 1 403.439 2.677 20 0 HFADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccnc2Br)n[n-]1 ZINC000791168756 1077324529 /nfs/dbraw/zinc/32/45/29/1077324529.db2.gz QMYWFFFUIRGDGY-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccnc2Br)[n-]1 ZINC000791168756 1077324535 /nfs/dbraw/zinc/32/45/35/1077324535.db2.gz QMYWFFFUIRGDGY-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccnc2Br)n1 ZINC000791168756 1077324542 /nfs/dbraw/zinc/32/45/42/1077324542.db2.gz QMYWFFFUIRGDGY-NSHDSACASA-N -1 1 410.272 2.656 20 0 HFADMM CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000788904860 1077347322 /nfs/dbraw/zinc/34/73/22/1077347322.db2.gz YNMZILHRCULSBX-VIFPVBQESA-N -1 1 419.327 2.552 20 0 HFADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc(Cl)c1F ZINC000791430650 1077417675 /nfs/dbraw/zinc/41/76/75/1077417675.db2.gz CSLJKIVGCRIEJG-UHFFFAOYSA-N -1 1 414.777 2.902 20 0 HFADMM CC(C)c1c(NC(=O)CCn2cc[n-]c(=O)c2=O)cnn1-c1ccc(Cl)cc1 ZINC000791633578 1077520834 /nfs/dbraw/zinc/52/08/34/1077520834.db2.gz AWQVUJOARGMZPD-UHFFFAOYSA-N -1 1 401.854 2.528 20 0 HFADMM Cc1cccc2c1OCC[C@H]2OC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000789498392 1077596336 /nfs/dbraw/zinc/59/63/36/1077596336.db2.gz RJJBNEJNWWZBCD-GOSISDBHSA-N -1 1 413.474 2.635 20 0 HFADMM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)cc1Cl ZINC000789621350 1077691291 /nfs/dbraw/zinc/69/12/91/1077691291.db2.gz ICIKFCLHMXRWTF-QGZVFWFLSA-N -1 1 402.944 2.972 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789895336 1077853485 /nfs/dbraw/zinc/85/34/85/1077853485.db2.gz UZGKBKYQIFNJIJ-CQSZACIVSA-N -1 1 400.504 2.673 20 0 HFADMM Cc1ccc(NC(=O)[C@@H]2NC(=O)O[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000789942048 1077861645 /nfs/dbraw/zinc/86/16/45/1077861645.db2.gz QRFMZNHWJIYNBR-BDJLRTHQSA-N -1 1 423.878 2.885 20 0 HFADMM COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3nc(Br)ccc3[O-])C2)c1 ZINC000792476543 1077875046 /nfs/dbraw/zinc/87/50/46/1077875046.db2.gz RDUSPQFTVVDRMM-CQSZACIVSA-N -1 1 422.235 2.699 20 0 HFADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc(Cl)c1F ZINC000790004646 1077900023 /nfs/dbraw/zinc/90/00/23/1077900023.db2.gz DTPZXQLNHISOEB-UHFFFAOYSA-N -1 1 423.809 2.524 20 0 HFADMM Cc1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1OCCCC(=O)[O-] ZINC000790004585 1077900094 /nfs/dbraw/zinc/90/00/94/1077900094.db2.gz DAYWPLHQISCFPP-KRWDZBQOSA-N -1 1 421.471 2.855 20 0 HFADMM CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049342 1077928839 /nfs/dbraw/zinc/92/88/39/1077928839.db2.gz YNDURFLHTUBNJL-VXGBXAGGSA-N -1 1 412.918 2.605 20 0 HFADMM COc1ccc(Cn2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cn2)cc1 ZINC000790097202 1077947823 /nfs/dbraw/zinc/94/78/23/1077947823.db2.gz GUUBKCRYQXLWBK-UHFFFAOYSA-N -1 1 419.434 2.887 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C[C@H](O)c3cccc(F)c3)c2)n1 ZINC000790159790 1077961851 /nfs/dbraw/zinc/96/18/51/1077961851.db2.gz KVPJYVUYTDDZBF-KRWDZBQOSA-N -1 1 412.421 2.527 20 0 HFADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C34CC(C(F)(F)F)(C3)C4)c2)n1 ZINC000790159739 1077962195 /nfs/dbraw/zinc/96/21/95/1077962195.db2.gz JTMKWHSEEOWAGJ-UHFFFAOYSA-N -1 1 408.380 2.997 20 0 HFADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)co1 ZINC000792697655 1077977786 /nfs/dbraw/zinc/97/77/86/1077977786.db2.gz DKRGVPWMFABAOA-LLVKDONJSA-N -1 1 405.259 2.748 20 0 HFADMM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc21 ZINC000790335805 1078006385 /nfs/dbraw/zinc/00/63/85/1078006385.db2.gz JXLWPPUFEACHCE-UHFFFAOYSA-N -1 1 402.350 2.583 20 0 HFADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C ZINC000792834636 1078008615 /nfs/dbraw/zinc/00/86/15/1078008615.db2.gz VCPBJXOZCCYXTI-UHFFFAOYSA-N -1 1 404.492 2.615 20 0 HFADMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000790384015 1078010148 /nfs/dbraw/zinc/01/01/48/1078010148.db2.gz NWPLXTNFULZOEK-UHFFFAOYSA-N -1 1 424.862 2.740 20 0 HFADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)OC)c2)ccc1F ZINC000790423936 1078022825 /nfs/dbraw/zinc/02/28/25/1078022825.db2.gz JTUORWABNSRZGV-UHFFFAOYSA-N -1 1 419.789 2.992 20 0 HFADMM COC(=O)Nc1cccc(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000806312673 1079565787 /nfs/dbraw/zinc/56/57/87/1079565787.db2.gz XIEJCOFONZPYQH-UHFFFAOYSA-N -1 1 422.463 2.567 20 0 HFADMM C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806490031 1079740357 /nfs/dbraw/zinc/74/03/57/1079740357.db2.gz LYMJFOUPSVASNA-HZPDHXFCSA-N -1 1 414.510 2.597 20 0 HFADMM CCN1CC[C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000806491816 1079743109 /nfs/dbraw/zinc/74/31/09/1079743109.db2.gz SZHKBLUUXTYRLK-FUHWJXTLSA-N -1 1 418.423 2.716 20 0 HFADMM CC(C)[C@H](CCN(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2)NC(=O)OC(C)(C)C ZINC000806492908 1079744267 /nfs/dbraw/zinc/74/42/67/1079744267.db2.gz PUEBRBDQVQZMSE-HNNXBMFYSA-N -1 1 404.515 2.745 20 0 HFADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)N=c1ccnc3n(C)[n-]cc1-3)O[C@H](C)C2 ZINC000806481112 1079766832 /nfs/dbraw/zinc/76/68/32/1079766832.db2.gz IQJUODXHQBQOCO-IAISJRAMSA-N -1 1 407.474 2.742 20 0 HFADMM COC(=O)C[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc2ccccc2c1 ZINC000806483172 1079768948 /nfs/dbraw/zinc/76/89/48/1079768948.db2.gz AEYHJAINBAJPJD-IBGZPJMESA-N -1 1 403.442 2.921 20 0 HFADMM COC(=O)c1ccc([C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)C(F)(F)F)cc1 ZINC000806483999 1079769900 /nfs/dbraw/zinc/76/99/00/1079769900.db2.gz ZDDHTQQWPPKJAH-AWEZNQCLSA-N -1 1 407.352 2.554 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)NC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)ccnc1-2 ZINC000806484022 1079769971 /nfs/dbraw/zinc/76/99/71/1079769971.db2.gz ZRNNCDLVUZIVJE-HXUWFJFHSA-N -1 1 402.499 2.501 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N3CCO[C@H](c4cccc(C(F)(F)F)c4)C3)ccnc1-2 ZINC000806487981 1079773617 /nfs/dbraw/zinc/77/36/17/1079773617.db2.gz HYVKINOHJBLPEK-INIZCTEOSA-N -1 1 405.380 2.966 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487657 1079774061 /nfs/dbraw/zinc/77/40/61/1079774061.db2.gz CEVCCNVNECZANA-HNNXBMFYSA-N -1 1 416.888 2.920 20 0 HFADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000806547763 1079786707 /nfs/dbraw/zinc/78/67/07/1079786707.db2.gz QLBNJDSQPWFTRU-HZPDHXFCSA-N -1 1 417.256 2.905 20 0 HFADMM Cc1nc2nc(S(=O)(=O)CC[C@H](O)c3ccccc3)[n-]c2cc1Br ZINC000806647756 1079903323 /nfs/dbraw/zinc/90/33/23/1079903323.db2.gz FRXYZYLRXAOGBC-AWEZNQCLSA-N -1 1 410.293 2.926 20 0 HFADMM Cc1[n-]c2nc(S(=O)(=O)CC[C@H](O)c3ccccc3)nc-2cc1Br ZINC000806647756 1079903328 /nfs/dbraw/zinc/90/33/28/1079903328.db2.gz FRXYZYLRXAOGBC-AWEZNQCLSA-N -1 1 410.293 2.926 20 0 HFADMM CC(=O)OC(C)(C)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000806774625 1079992904 /nfs/dbraw/zinc/99/29/04/1079992904.db2.gz ZWENLUNSACIUNM-UHFFFAOYSA-N -1 1 404.488 2.788 20 0 HFADMM CCOc1ccccc1C(=O)N1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747359953 1080030639 /nfs/dbraw/zinc/03/06/39/1080030639.db2.gz LVXJYSWROJUVES-UHFFFAOYSA-N -1 1 412.490 2.611 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(c1ccccc1)c1ccccc1 ZINC000806841511 1080053758 /nfs/dbraw/zinc/05/37/58/1080053758.db2.gz VICIHKJUTIFOCQ-MRXNPFEDSA-N -1 1 413.481 2.617 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N[C@@H](CCc3ccccc3)c3ccccc3)ccnc1-2 ZINC000806857641 1080061079 /nfs/dbraw/zinc/06/10/79/1080061079.db2.gz UKYXFXGRYQLWNU-FQEVSTJZSA-N -1 1 413.481 2.771 20 0 HFADMM C[C@@H](NC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1Oc1ccccc1 ZINC000806881607 1080079240 /nfs/dbraw/zinc/07/92/40/1080079240.db2.gz BJFOEMPZEMLEIW-OAHLLOKOSA-N -1 1 415.453 2.950 20 0 HFADMM COC[C@H](NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccc(C)o1 ZINC000806899284 1080106077 /nfs/dbraw/zinc/10/60/77/1080106077.db2.gz YVYYDGWGFYEJLE-NHULGOKLSA-N -1 1 405.417 2.763 20 0 HFADMM CCCCCCOc1cc(C)ccc1CNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806934151 1080142049 /nfs/dbraw/zinc/14/20/49/1080142049.db2.gz AZAVZZUKUXHQSU-UHFFFAOYSA-N -1 1 423.517 2.864 20 0 HFADMM Cn1[n-]cc2c(=NC(=O)C(=O)N(Cc3ccc(F)cc3F)C3CCCC3)ccnc1-2 ZINC000806999944 1080178009 /nfs/dbraw/zinc/17/80/09/1080178009.db2.gz DYVNKQCWPZMQOO-UHFFFAOYSA-N -1 1 413.428 2.530 20 0 HFADMM C[C@H](CCC1CCCCC1)NC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000807085595 1080262488 /nfs/dbraw/zinc/26/24/88/1080262488.db2.gz HNROTLQCIFAOEQ-CQSZACIVSA-N -1 1 419.488 2.769 20 0 HFADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000747384440 1080451579 /nfs/dbraw/zinc/45/15/79/1080451579.db2.gz UKAXQVJBRUESNI-LLVKDONJSA-N -1 1 410.540 2.978 20 0 HFADMM Cc1ccc(CC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)o1 ZINC001130902150 1080486214 /nfs/dbraw/zinc/48/62/14/1080486214.db2.gz KVIAODQYNPPLIT-DZGCQCFKSA-N -1 1 418.412 2.510 20 0 HFADMM CC(C)(C)OC(=O)[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CC1CCCC1 ZINC001130902200 1080486826 /nfs/dbraw/zinc/48/68/26/1080486826.db2.gz MDHPMTQHNVYAPH-UKRRQHHQSA-N -1 1 406.445 2.947 20 0 HFADMM Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000807493785 1080685693 /nfs/dbraw/zinc/68/56/93/1080685693.db2.gz YIOCUFJTWPASBA-PKWAYOAASA-N -1 1 424.423 2.719 20 0 HFADMM